A0A087XP36_POEFO Loading...

G protein-coupled receptor 156

AlphaFold DB , UniProt , Accession A0A087XP36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 810 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
1M35Very low37.4Very low246 Ų246125 Ų125100%1.21270%0.695SS**  01010-77.6166.816400107
2E32.4Very low37Very low179 Ų179127.6 Ų127.684%0.83671%0.707SS**PPolyproline II helixtrans-83.9154163.9-64178.7127.200107.8E4E2-E4 PolarHBondContact O-N 3.35Å
3P36.2Very low36.7Very low120 Ų120124.2 Ų124.278%0.77970%0.697SS**PPolyproline II helixtrans-68.1133.4-18027.8-34.2000111.2L5P3-L5 PolarHBondContact O-N 3.26Å
4E33.9Very low36.4Very low189 Ų189124.6 Ų124.688%0.88371%0.708SS**PPolyproline II helixtrans-66.1117.4170.9-66.5-171.2128.900109.7E2 N6E2-E4 PolarHBondContact O-N 3.35Å; E4-N6 VanDerWaalsContact C-N 3.3Å; E4-N6 PolarHBondContact O-N 3.24Å
5L37.6Very low36.3Very low139 Ų139127.2 Ų127.273%0.72872%0.718SS**  trans-73.684.2178.7-85.9159.4000110.2P3 C7P3-L5 PolarHBondContact O-N 3.26Å; L5-C7 PolarHBondContact O-N 3.06Å
6N34.9Very low36.3Very low116 Ų116124 Ų12462%0.6271%0.705SS**  trans-76.680.9-174.8-169.517.2000112.7E4 S8E4-N6 VanDerWaalsContact C-N 3.3Å; E4-N6 PolarHBondContact O-N 3.24Å; N6-S8 PolarHBondContact ND2-OG 2.72Å; N6-S8 PolarHBondContact O-N 3.35Å; N6-S8 WeakPolarHBondContact OD1-CB 3.45Å; N6-S8 PolarHBondContact OD1-N 3.29Å; N6-S8 PolarHBondContact OD1-OG 2.87Å
7C39.8Very low36.1Very low52 Ų52126.2 Ų126.235%0.35171%0.713SS.*G310 helixtrans-70.717.3171.6-67.10000113.4L5 S9 C35L5-C7 PolarHBondContact O-N 3.06Å; C7-S9 VanDerWaalsContact C-N 3.3Å; C7-S9 PolarHBondContact O-N 2.86Å; C7-C35 HydrophobicContact CB-CB 4.48Å; C7-C35 WeakPolarHBondContact CB-SG 3.38Å; C7-C35 WeakPolarHBondContact SG-CB 3.4Å; C7-C35 CovalentContact SG-SG 2.08Å; C7-C35 PolarHBondContact SG-SG 3.48Å
8S38.4Very low36.2Very low81 Ų81126.3 Ų126.357%0.56671%0.71SS**G310 helixtrans-69.8-20.5-178.1780000114.6N6 V10N6-S8 PolarHBondContact ND2-OG 2.72Å; N6-S8 PolarHBondContact O-N 3.35Å; N6-S8 WeakPolarHBondContact OD1-CB 3.45Å; N6-S8 PolarHBondContact OD1-N 3.29Å; N6-S8 PolarHBondContact OD1-OG 2.87Å; S8-V10 VanDerWaalsContact C-N 3.29Å; S8-V10 PolarHBondContact O-N 3.34Å
9S37.9Very low35.9Very low93 Ų93129.1 Ų129.165%0.6572%0.717SS**G310 helixtrans-85.28.7-177.253.90000114.6C7C7-S9 VanDerWaalsContact C-N 3.3Å; C7-S9 PolarHBondContact O-N 2.86Å
10V43.7Very low36.1Very low87 Ų87128.2 Ų128.253%0.52773%0.727SS.*G310 helixtrans-125.911.9-170.9-158.20000112.4S8S8-V10 VanDerWaalsContact C-N 3.29Å; S8-V10 PolarHBondContact O-N 3.34Å
11C41.2Very low36.4Very low73 Ų73125.4 Ų125.449%0.49373%0.727SS.*  trans-13439.8-176.7-84.90000114.5S13C11-S13 PolarHBondContact O-N 3.19Å
12D33.6Very low36.8Very low156 Ų156120.4 Ų120.483%0.83470%0.704SS**  trans-72.263.3165.9-73.5-40.3000111.3
13S32.7Very low37.5Very low83 Ų83114.5 Ų114.558%0.5868%0.682SS**SBendtrans-156.2129175.2-80.50000112C11 L15 C16C11-S13 PolarHBondContact O-N 3.19Å; S13-L15 PolarHBondContact O-N 3.14Å; S13-C16 PolarHBondContact O-N 3.45Å
14P32.1Very low38.4Very low131 Ų131119.5 Ų119.585%0.85169%0.686SS**THydrogen-bonded Turntrans-73.212.2-169.531.3-37.9000115.1
15L34.5Very low39.2Very low163 Ų163117.8 Ų117.885%0.85368%0.678SS**THydrogen-bonded Turntrans-101.9-2.1180-69.5170.7000113.5S13 L17S13-L15 PolarHBondContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.25Å
16C37.2Very low39.9Very low76 Ų76117.1 Ų117.151%0.51467%0.671SS.*  trans-80.151.7177-154.40000112.6S13 I18S13-C16 PolarHBondContact O-N 3.45Å; C16-I18 PolarHBondContact O-N 2.98Å
17L32.4Very low40.7Very low162 Ų162113 Ų11385%0.84866%0.657SS**  trans-88.287.4-178.6-14886.8000110.9L15 Q19L15-L17 PolarHBondContact O-N 3.25Å; L17-Q19 PolarHBondContact O-N 3.44Å
18I38.6Very low41.2Very low127 Ų127116.1 Ų116.165%0.65167%0.666SS**  trans-74.6112.7170.7-58.7178.4000108.4C16 A20 L31C16-I18 PolarHBondContact O-N 2.98Å; I18-A20 PolarHBondContact O-N 3.4Å; I18-L31 HydrophobicContact CD1-CD1 4.32Å
19Q30.8Very low41.8Very low179 Ų179116.2 Ų116.284%0.83666%0.66SS**  trans-66.5123.5-179.9-169.5161.4-23.900110.6L17 G21L17-Q19 PolarHBondContact O-N 3.44Å; Q19-G21 PolarHBondContact O-N 2.83Å
20A39.8Very low42.6Very low112 Ų112115.6 Ų115.693%0.92665%0.652SS**SBendtrans-72.685.1-170.900000112.3I18I18-A20 PolarHBondContact O-N 3.4Å
21G42.8Very low43Very low70 Ų70115.5 Ų115.572%0.72265%0.648SS**  trans-161.89.2-178.600000116.9Q19Q19-G21 PolarHBondContact O-N 2.83Å
22L42.3Very low43.5Very low141 Ų141119 Ų11974%0.73865%0.651SS**SBendtrans-110.3156.7175.5-98.569.4000111.7
23S46.9Very low44.6Very low54 Ų54118.3 Ų118.338%0.37864%0.637SS.*  trans-63.3147.6-175.987.10000112.1Q25 E26 G27S23-Q25 PolarHBondContact O-N 2.96Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.43Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.21Å; S23-E26 WeakPolarHBondContact OG-CG 3.35Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 3.28Å; S23-G27 PolarHBondContact O-N 3.2Å; S23-G27 VanDerWaalsContact O-N 3.1Å
24R55.9Low45.6Very low226 Ų226119 Ų11985%0.85363%0.634SS**THydrogen-bonded Turntrans-62.7-14.6-171-158.7177-172.6-176.22.6114.1Q28R24-Q28 VanDerWaalsContact O-CG 3.29Å; R24-Q28 WeakPolarHBondContact O-CG 3.41Å
25Q51.2Low46.2Very low152 Ų152115 Ų11571%0.7161%0.608SS**THydrogen-bonded Turntrans-108.3-42.6-175.7-162.2155.1-2400112.2S23 G27 Q28 D29S23-Q25 PolarHBondContact O-N 2.96Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; Q25-G27 PolarHBondContact O-N 3.44Å; Q25-Q28 PolarHBondContact O-N 2.81Å; Q25-Q28 VanDerWaalsContact O-N 3.15Å; Q25-D29 PolarHBondContact O-N 2.94Å
26E50.9Low47Very low125 Ų125112 Ų11258%0.58459%0.592SS**Hα-helixtrans-63.7-39.8173.5-65.2166.4123.600111.3S23 Q28 D29 V30S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.43Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.21Å; S23-E26 WeakPolarHBondContact OG-CG 3.35Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 3.28Å; E26-Q28 VanDerWaalsContact C-N 3.28Å; E26-Q28 PolarHBondContact O-N 2.96Å; E26-D29 PolarHBondContact O-N 3.49Å; E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.04Å
27G52.3Low47.4Very low31 Ų31110 Ų11032%0.3258%0.576SS.*Hα-helixtrans-61.7-34.3173.800000113.2S23 Q25 L31S23-G27 PolarHBondContact O-N 3.2Å; S23-G27 VanDerWaalsContact O-N 3.1Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; Q25-G27 PolarHBondContact O-N 3.44Å; G27-L31 VanDerWaalsContact O-CB 3.3Å; G27-L31 WeakPolarHBondContact O-CB 3.37Å; G27-L31 PolarHBondContact O-N 3.33Å
28Q50.6Low47.9Very low117 Ų117107 Ų10755%0.54756%0.561SS.*Hα-helixtrans-73.8-38.3176.7-76.4-177.4-11.100112.5R24 Q25 E26 L31 R32R24-Q28 VanDerWaalsContact O-CG 3.29Å; R24-Q28 WeakPolarHBondContact O-CG 3.41Å; Q25-Q28 PolarHBondContact O-N 2.81Å; Q25-Q28 VanDerWaalsContact O-N 3.15Å; E26-Q28 VanDerWaalsContact C-N 3.28Å; E26-Q28 PolarHBondContact O-N 2.96Å; Q28-L31 PolarHBondContact O-N 3.28Å; Q28-R32 WeakPolarHBondContact O-CB 3.46Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 3.27Å
29D51.6Low47.9Very low82 Ų82105.1 Ų105.144%0.43956%0.558SS.*Hα-helixtrans-70-36.3174.5-95.4-13.1000112.4Q25 E26 R33Q25-D29 PolarHBondContact O-N 2.94Å; E26-D29 PolarHBondContact O-N 3.49Å; D29-R33 WeakPolarHBondContact O-CB 3.36Å; D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 2.87Å
30V54.7Low48.4Very low81 Ų81102.4 Ų102.449%0.49155%0.549SS..Hα-helixtrans-62.7-45.7170.2170.30000110.5E26 R33 L34E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.04Å; V30-R33 PolarHBondContact O-N 3.24Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 2.9Å
31L52Low48.3Very low84 Ų8498.2 Ų98.244%0.4452%0.515SS..Hα-helixtrans-65.8-39.6178.5-167.768.5000112.4I18 G27 Q28 L34 C35I18-L31 HydrophobicContact CD1-CD1 4.32Å; G27-L31 VanDerWaalsContact O-CB 3.3Å; G27-L31 WeakPolarHBondContact O-CB 3.37Å; G27-L31 PolarHBondContact O-N 3.33Å; Q28-L31 PolarHBondContact O-N 3.28Å; L31-L34 PolarHBondContact O-N 3.27Å; L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.26Å
32R51.6Low47.9Very low148 Ų14899.1 Ų99.156%0.55852%0.515SS*.Hα-helixtrans-61.2-47.5172.1-84.7-179.9163.4-177.5-5.5111.5Q28 L34 C35 I36Q28-R32 WeakPolarHBondContact O-CB 3.46Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 3.27Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.5Å; R32-C35 PolarHBondContact O-N 3.24Å; R32-I36 WeakPolarHBondContact O-CB 3.3Å; R32-I36 WeakPolarHBondContact O-CD1 3.43Å; R32-I36 VanDerWaalsContact O-CG1 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.31Å; R32-I36 PolarHBondContact O-N 2.9Å
33R55.9Low47.7Very low140 Ų140101 Ų10153%0.52852%0.52SS..Hα-helixtrans-60.3-38.6175.8-73.5175.8-172.3-139.63.6111.5D29 V30 L37D29-R33 WeakPolarHBondContact O-CB 3.36Å; D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 2.87Å; V30-R33 PolarHBondContact O-N 3.24Å; R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.43Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.85Å
34L53.3Low47.2Very low99 Ų99101 Ų10152%0.51852%0.518SS..Hα-helixtrans-67.9-45.7175-72.1167.4000112.8V30 L31 R32 I36 L37 N38V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 2.9Å; L31-L34 PolarHBondContact O-N 3.27Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.5Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 3.16Å; L34-N38 WeakPolarHBondContact O-CB 3.43Å; L34-N38 PolarHBondContact O-N 3.02Å
35C44.1Very low46.4Very low47 Ų4795.8 Ų95.832%0.31851%0.513SS..Hα-helixtrans-64.5-36178.6-143.90000110.8C7 L31 R32 S39C7-C35 HydrophobicContact CB-CB 4.48Å; C7-C35 WeakPolarHBondContact CB-SG 3.38Å; C7-C35 WeakPolarHBondContact SG-CB 3.4Å; C7-C35 CovalentContact SG-SG 2.08Å; C7-C35 PolarHBondContact SG-SG 3.48Å; L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.26Å; R32-C35 PolarHBondContact O-N 3.24Å; C35-S39 PolarHBondContact O-N 3.21Å
36I51.6Low46.3Very low100 Ų10093.3 Ų93.351%0.51350%0.497SS..Hα-helixtrans-69.4-43.3171.7-67.4165.2000112.2R32 L34 N38 S39 L40R32-I36 WeakPolarHBondContact O-CB 3.3Å; R32-I36 WeakPolarHBondContact O-CD1 3.43Å; R32-I36 VanDerWaalsContact O-CG1 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.31Å; R32-I36 PolarHBondContact O-N 2.9Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 3.16Å; I36-N38 PolarHBondContact O-N 2.95Å; I36-S39 PolarHBondContact O-N 3.49Å; I36-S39 PolarHBondContact O-OG 3.25Å; I36-L40 HydrophobicContact CG2-CD1 4.38Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-L40 VanDerWaalsContact O-N 3.1Å
37L47.3Very low46.4Very low33 Ų3397 Ų9717%0.17351%0.506CS..Hα-helixtrans-64.9-31.3178.2-77170.1000112.2R33 L34 L40 A41 Y214 L216R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.43Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.9Å; L37-Y214 HydrophobicContact CD1-CD1 4.13Å; L37-Y214 HydrophobicContact CD1-CD2 4.39Å; L37-Y214 HydrophobicContact CD1-CG 3.98Å; L37-Y214 VanDerWaalsContact CD2-CB 3.49Å; L37-Y214 HydrophobicContact CD2-CD2 4.18Å; L37-Y214 HydrophobicContact CD2-CG 4Å; L37-L216 HydrophobicContact CB-CD1 4.31Å
38N42.6Very low46.9Very low99 Ų9999.1 Ų99.153%0.52952%0.516SS..Hα-helixtrans-71.7-30.8176-153.142000112.4L34 I36L34-N38 WeakPolarHBondContact O-CB 3.43Å; L34-N38 PolarHBondContact O-N 3.02Å; I36-N38 PolarHBondContact O-N 2.95Å
39S38.4Very low48.1Very low87 Ų8794 Ų9461%0.60849%0.492SS*.Hα-helixtrans-74.9-33.2173.167.70000112.9C35 I36C35-S39 PolarHBondContact O-N 3.21Å; I36-S39 PolarHBondContact O-N 3.49Å; I36-S39 PolarHBondContact O-OG 3.25Å
40L40Very low49.7Very low123 Ų12392.3 Ų92.364%0.64449%0.487SS*.Hα-helixtrans-77.5-18.8171.6-87.6163.4000114.1I36 L37 A42I36-L40 HydrophobicContact CG2-CD1 4.38Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-L40 VanDerWaalsContact O-N 3.1Å; L37-L40 PolarHBondContact O-N 3.43Å; L40-A42 PolarHBondContact O-N 2.84Å
41A37.5Very low51.2Low24 Ų2493.3 Ų93.320%0.19850%0.495CS..G310 helixtrans-66.3-16.1178.100000113.9L37 E43 L216L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.9Å; A41-E43 PolarHBondContact O-N 3.39Å; A41-L216 HydrophobicContact CB-CB 4.44Å; A41-L216 HydrophobicContact CB-CD1 4.45Å; A41-L216 HydrophobicContact CB-CD2 3.94Å
42A35.9Very low53.1Low88 Ų8892.4 Ų92.473%0.72750%0.5SS*.G310 helixtrans-59.5-25.2-177.600000114.4L40L40-A42 PolarHBondContact O-N 2.84Å
43E36.8Very low54.9Low181 Ų18187 Ų8785%0.84648%0.482SS*.G310 helixtrans-125.824.1-174.9-63.7-167.6119.500114.2A41 P45A41-E43 PolarHBondContact O-N 3.39Å; E43-P45 WeakPolarHBondContact O-CD 3.47Å
44V38.1Very low56.5Low55 Ų5581.2 Ų81.233%0.33346%0.46SS..PPolyproline II helixtrans-77124.7175.7-179.10000111R46 L216V44-R46 PolarHBondContact O-N 2.64Å; V44-L216 WeakPolarHBondContact CG1-O 3.47Å
45P38.2Very low58.4Low116 Ų11679 Ų7975%0.75346%0.456SS*.PPolyproline II helixtrans-62.5122.3-178-25.435.3000113.8E43E43-P45 WeakPolarHBondContact O-CD 3.47Å
46R47.9Very low60.8Low100 Ų10080.7 Ų80.738%0.37747%0.465SS..PPolyproline II helixtrans-56.4151.7161.4-65.3174.7176.2-113.2-14.8109.4V44 S48 H116 D220V44-R46 PolarHBondContact O-N 2.64Å; R46-S48 PolarHBondContact O-N 3.35Å; R46-H116 VanDerWaalsContact CZ-NE2 3.33Å; R46-H116 PolarHBondContact NH1-CE1 3.47Å; R46-H116 PolarHBondContact NH1-NE2 3.44Å; R46-H116 PolarHBondContact NH2-CE1 2.96Å; R46-D220 IonicContact CZ-OD2 3.18Å; R46-D220 IonicContact NH1-OD2 2.71Å; R46-D220 PolarHBondContact NH1-OD2 2.79Å; R46-D220 IonicContact NH2-OD2 2.72Å; R46-D220 PolarHBondContact NH2-OD2 3.38Å
47R54.6Low62.9Low202 Ų20276.6 Ų76.676%0.76244%0.444SS*.  trans-71.772171-78.3-163.8-179.7119.81.6110.8
48S63.2Low65.1Low75 Ų7578.7 Ų78.752%0.52445%0.45SS..PPolyproline II helixtrans-64.9146.8-176.252.60000112.8R46 S50 E113R46-S48 PolarHBondContact O-N 3.35Å; S48-S50 PolarHBondContact O-N 3.19Å; S48-E113 VanDerWaalsContact CA-OE1 3.29Å; S48-E113 WeakPolarHBondContact CA-OE1 3.34Å
49L74.3Confident67.6Low9 Ų978.1 Ų78.15%0.04745%0.45CS..PPolyproline II helixtrans-63.7128.7172.4-141.871.2000108.2R54 E113 P291 N292 Y295L49-R54 PolarHBondContact O-NH1 3.24Å; L49-E113 VanDerWaalsContact CB-OE2 3.26Å; L49-E113 WeakPolarHBondContact CB-OE2 3.22Å; L49-E113 PolarHBondContact N-OE1 2.88Å; L49-E113 PolarHBondContact N-OE2 3.04Å; L49-P291 HydrophobicContact CD1-CB 4.35Å; L49-N292 WeakPolarHBondContact CA-OD1 3.48Å; L49-Y295 HydrophobicContact CD1-CG 4.41Å; L49-Y295 HydrophobicContact CD2-CD1 3.63Å; L49-Y295 HydrophobicContact CD2-CD2 4.38Å; L49-Y295 HydrophobicContact CD2-CE1 4.03Å; L49-Y295 HydrophobicContact CD2-CG 3.83Å; L49-Y295 HydrophobicContact CG-CD1 4.36Å
50S85.8Confident70.4Confident47 Ų4778.1 Ų78.133%0.32944%0.442SS..PPolyproline II helixtrans-52.8123.9-178.7169.50000109.6S48 A52 L53 R54 N292S48-S50 PolarHBondContact O-N 3.19Å; S50-A52 PolarHBondContact O-N 2.67Å; S50-L53 WeakPolarHBondContact O-CB 3.46Å; S50-L53 PolarHBondContact O-N 3.39Å; S50-R54 PolarHBondContact O-N 3.47Å; S50-N292 PolarHBondContact N-OD1 3.48Å
51P86.6Confident73Confident102 Ų10272.3 Ų72.366%0.66241%0.411SS*.Hα-helixtrans-62.5-30.7-177.524.1-33000111.4A55P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.83Å
52A91Very high75.8Confident66 Ų6674 Ų7455%0.54542%0.422SS..Hα-helixtrans-66-44.2172.500000112.1S50 A55 V56S50-A52 PolarHBondContact O-N 2.67Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.12Å
53L90.4Very high78.7Confident35 Ų3572.6 Ų72.618%0.18341%0.406CS..Hα-helixtrans-62.6-47.2175.5176.964.9000111.2S50 A55 V56 V57 N292 Y295S50-L53 WeakPolarHBondContact O-CB 3.46Å; S50-L53 PolarHBondContact O-N 3.39Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.36Å; L53-V56 PolarHBondContact O-N 2.96Å; L53-V57 HydrophobicContact CD1-CG2 3.99Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.39Å; L53-N292 HydrophobicContact CD2-CB 4.02Å; L53-N292 VanDerWaalsContact CD2-O 3.27Å; L53-N292 WeakPolarHBondContact CD2-O 3.45Å; L53-Y295 HydrophobicContact CD2-CD1 4.33Å; L53-Y295 HydrophobicContact CG-CD1 4.48Å
54R89.9Confident81.6Confident18 Ų1864 Ų647%0.06837%0.366CS..Hα-helixtrans-57-46.2176.9-177.2179.4-85.5122.7-8.1110.7L49 S50 W58 A110 E113L49-R54 PolarHBondContact O-NH1 3.24Å; S50-R54 PolarHBondContact O-N 3.47Å; R54-W58 HydrophobicContact CG-CD2 4.01Å; R54-W58 HydrophobicContact CG-CG 4.4Å; R54-W58 HydrophobicContact CG-CH2 4.49Å; R54-W58 HydrophobicContact CG-CZ2 3.91Å; R54-W58 VanDerWaalsContact O-CB 3.24Å; R54-W58 WeakPolarHBondContact O-CB 3.48Å; R54-W58 VanDerWaalsContact O-CD1 3.3Å; R54-W58 PolarHBondContact O-N 3.07Å; R54-A110 PolarHBondContact NE-O 2.95Å; R54-A110 VanDerWaalsContact NE-O 3.12Å; R54-A110 PolarHBondContact NH2-O 3.39Å; R54-E113 IonicContact CZ-OE2 3.39Å; R54-E113 IonicContact NH1-OE2 3.13Å; R54-E113 PolarHBondContact NH1-OE2 2.78Å; R54-E113 VanDerWaalsContact NH1-OE2 3.13Å; R54-E113 IonicContact NH2-OE2 2.7Å; R54-E113 PolarHBondContact NH2-OE2 3.2Å
55A92.2Very high84.3Confident52 Ų5263.6 Ų63.643%0.4336%0.362SS..Hα-helixtrans-61.1-47.6176.900000112.9P51 A52 L53 W58 T59P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.83Å; A52-A55 PolarHBondContact O-N 2.91Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.36Å; A55-W58 PolarHBondContact O-N 2.99Å; A55-T59 WeakPolarHBondContact O-CG2 3.28Å; A55-T59 PolarHBondContact O-N 3.45Å; A55-T59 PolarHBondContact O-OG1 3.4Å
56V95Very high87.1Confident83 Ų8363.4 Ų63.450%0.50335%0.354SS..Hα-helixtrans-61.8-46178.6170.20000111.7A52 L53 W58 T59 M60A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 2.96Å; V56-W58 VanDerWaalsContact C-N 3.34Å; V56-W58 PolarHBondContact O-N 2.81Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 PolarHBondContact O-OG1 2.94Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 3.49Å; V56-M60 VanDerWaalsContact O-N 3.13Å
57V94.3Very high89.4Confident14 Ų1461.2 Ų61.29%0.08535%0.35CS..Hα-helixtrans-67.9-37.4179.2179.30000111L53 M60 L61 Y295 A299L53-V57 HydrophobicContact CD1-CG2 3.99Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.39Å; V57-M60 PolarHBondContact O-N 3.05Å; V57-L61 HydrophobicContact CG1-CD1 3.88Å; V57-L61 HydrophobicContact CG1-CG 4.19Å; V57-L61 WeakPolarHBondContact O-CB 3.41Å; V57-L61 VanDerWaalsContact O-CG 3.32Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.11Å; V57-Y295 HydrophobicContact CB-CE1 3.79Å; V57-Y295 HydrophobicContact CG1-CE1 3.79Å; V57-Y295 WeakPolarHBondContact CG1-OH 3.31Å; V57-Y295 HydrophobicContact CG2-CE1 3.86Å; V57-A299 HydrophobicContact CG1-CB 3.57Å
58W94.6Very high91.4Very high76 Ų7651.7 Ų51.729%0.28831%0.314SS..Hα-helixtrans-65.1-38.6175.8-76.312.4000113.2R54 A55 V56 S62 F107 A110 M111R54-W58 HydrophobicContact CG-CD2 4.01Å; R54-W58 HydrophobicContact CG-CG 4.4Å; R54-W58 HydrophobicContact CG-CH2 4.49Å; R54-W58 HydrophobicContact CG-CZ2 3.91Å; R54-W58 VanDerWaalsContact O-CB 3.24Å; R54-W58 WeakPolarHBondContact O-CB 3.48Å; R54-W58 VanDerWaalsContact O-CD1 3.3Å; R54-W58 PolarHBondContact O-N 3.07Å; A55-W58 PolarHBondContact O-N 2.99Å; V56-W58 VanDerWaalsContact C-N 3.34Å; V56-W58 PolarHBondContact O-N 2.81Å; W58-S62 VanDerWaalsContact O-CB 3.27Å; W58-S62 WeakPolarHBondContact O-CB 3.48Å; W58-S62 PolarHBondContact O-N 3.24Å; W58-S62 PolarHBondContact O-OG 3.23Å; W58-F107 HydrophobicContact CB-CE1 3.78Å; W58-F107 AromaticContact CD1-CD1 3.67Å; W58-F107 AromaticContact CD1-CE1 3.78Å; W58-F107 HydrophobicContact CD2-CD1 4.12Å; W58-F107 HydrophobicContact CD2-CE1 4.09Å; W58-F107 AromaticContact CG-CD1 3.88Å; W58-F107 HydrophobicContact CG-CD1 3.88Å; W58-F107 AromaticContact CG-CE1 3.61Å; W58-F107 HydrophobicContact CG-CE1 3.61Å; W58-F107 AromaticContact NE1-CD1 3.75Å; W58-A110 HydrophobicContact CZ2-CB 4.12Å; W58-M111 HydrophobicContact CH2-SD 3.9Å; W58-M111 HydrophobicContact CZ2-SD 3.75Å
59T95.8Very high92.9Very high87 Ų8754 Ų5453%0.53431%0.314SS..Hα-helixtrans-67.7-39.6174.755.90000111.6A55 V56 S62 S63A55-T59 WeakPolarHBondContact O-CG2 3.28Å; A55-T59 PolarHBondContact O-N 3.45Å; A55-T59 PolarHBondContact O-OG1 3.4Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 PolarHBondContact O-OG1 2.94Å; T59-S62 PolarHBondContact O-N 2.92Å; T59-S63 PolarHBondContact O-N 3.22Å
60M95.4Very high93.8Very high88 Ų8856.8 Ų56.843%0.43333%0.334SS..Hα-helixtrans-61.1-53.6174.2-67.6-66.4163.900111.5V56 V57 S62 S63 G64 F303V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 3.49Å; V56-M60 VanDerWaalsContact O-N 3.13Å; V57-M60 PolarHBondContact O-N 3.05Å; M60-S62 VanDerWaalsContact C-N 3.31Å; M60-S62 PolarHBondContact O-N 2.99Å; M60-S63 PolarHBondContact O-N 2.99Å; M60-S63 VanDerWaalsContact O-N 3.1Å; M60-S63 PolarHBondContact O-OG 2.86Å; M60-G64 PolarHBondContact O-N 2.97Å; M60-F303 HydrophobicContact CB-CD1 4.25Å; M60-F303 HydrophobicContact CB-CD2 4.28Å; M60-F303 HydrophobicContact CB-CE1 4.08Å; M60-F303 HydrophobicContact CB-CE2 4.13Å; M60-F303 HydrophobicContact CB-CG 4.35Å; M60-F303 HydrophobicContact CB-CZ 4.02Å; M60-F303 HydrophobicContact CG-CE1 4.39Å; M60-F303 WeakPolarHBondContact O-CE2 3.37Å; M60-F303 HydrophobicContact SD-CE1 3.93Å; M60-F303 HydrophobicContact SD-CZ 3.97Å
61L96.1Very high94.2Very high0 Ų055.2 Ų55.20%032%0.321CS..Hα-helixtrans-59.8-38.9177.4-67.1172.4000112.3V57 S63 G64 I65 Y103 G106 F107 F303V57-L61 HydrophobicContact CG1-CD1 3.88Å; V57-L61 HydrophobicContact CG1-CG 4.19Å; V57-L61 WeakPolarHBondContact O-CB 3.41Å; V57-L61 VanDerWaalsContact O-CG 3.32Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.11Å; L61-S63 PolarHBondContact O-N 3.16Å; L61-G64 PolarHBondContact O-N 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 2.89Å; L61-Y103 HydrophobicContact CD2-CD1 3.88Å; L61-G106 VanDerWaalsContact CD1-C 3.43Å; L61-F107 HydrophobicContact CB-CD2 4.05Å; L61-F107 HydrophobicContact CB-CE1 4.45Å; L61-F107 HydrophobicContact CB-CE2 3.38Å; L61-F107 HydrophobicContact CB-CZ 3.63Å; L61-F107 HydrophobicContact CD1-CD2 4.11Å; L61-F107 HydrophobicContact CD1-CE2 4.25Å; L61-F107 HydrophobicContact CD1-CG 4.31Å; L61-F107 HydrophobicContact CG-CE2 4.45Å; L61-F303 HydrophobicContact CD2-CB 4.26Å
62S96.5Very high94.6Very high61 Ų6152.2 Ų52.243%0.42730%0.3SS..Hα-helixtrans-60.6-43.6174.1-600000111.9W58 T59 M60 G64 I65 L66W58-S62 VanDerWaalsContact O-CB 3.27Å; W58-S62 WeakPolarHBondContact O-CB 3.48Å; W58-S62 PolarHBondContact O-N 3.24Å; W58-S62 PolarHBondContact O-OG 3.23Å; T59-S62 PolarHBondContact O-N 2.92Å; M60-S62 VanDerWaalsContact C-N 3.31Å; M60-S62 PolarHBondContact O-N 2.99Å; S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.35Å; S62-I65 PolarHBondContact O-N 2.98Å; S62-L66 WeakPolarHBondContact O-CB 3.44Å; S62-L66 PolarHBondContact O-N 3.32Å
63S96.3Very high94.6Very high57 Ų5752.2 Ų52.240%0.39929%0.292SS..Hα-helixtrans-64.3-35.1176.678.60000112.3T59 M60 L61 L66 L67T59-S63 PolarHBondContact O-N 3.22Å; M60-S63 PolarHBondContact O-N 2.99Å; M60-S63 VanDerWaalsContact O-N 3.1Å; M60-S63 PolarHBondContact O-OG 2.86Å; L61-S63 PolarHBondContact O-N 3.16Å; S63-L66 PolarHBondContact O-N 3.4Å; S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 PolarHBondContact O-N 2.85Å
64G96.4Very high94.6Very high1 Ų151.5 Ų51.51%0.0129%0.288CS..Hα-helixtrans-63.9-45.3173.700000112.9M60 L61 S62 L67 A68 Y103M60-G64 PolarHBondContact O-N 2.97Å; L61-G64 PolarHBondContact O-N 3.3Å; S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.35Å; G64-L67 PolarHBondContact O-N 3.4Å; G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 2.9Å; G64-Y103 WeakPolarHBondContact O-CE2 3.48Å
65I96.7Very high94.6Very high47 Ų4750.7 Ų50.724%0.24129%0.285CS..Hα-helixtrans-63.4-45.3175-66.6175.3000110.7L61 S62 L67 A68 F69 Y103 I104 F107L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 2.89Å; S62-I65 PolarHBondContact O-N 2.98Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 2.87Å; I65-A68 PolarHBondContact O-N 3.1Å; I65-F69 WeakPolarHBondContact O-CB 3.49Å; I65-F69 PolarHBondContact O-N 3.02Å; I65-Y103 VanDerWaalsContact CG1-CB 3.44Å; I65-Y103 HydrophobicContact CG1-CD2 3.77Å; I65-Y103 HydrophobicContact CG1-CG 3.91Å; I65-I104 HydrophobicContact CD1-CG1 4.48Å; I65-F107 HydrophobicContact CD1-CD2 4.3Å; I65-F107 HydrophobicContact CD1-CE2 3.74Å
66L96.4Very high94.5Very high112 Ų11252.8 Ų52.859%0.58629%0.288SS*.Hα-helixtrans-59.9-44.6178.2-177.163.9000111.5S62 S63 F69 C70S62-L66 WeakPolarHBondContact O-CB 3.44Å; S62-L66 PolarHBondContact O-N 3.32Å; S63-L66 PolarHBondContact O-N 3.4Å; L66-F69 PolarHBondContact O-N 3.47Å; L66-C70 PolarHBondContact O-N 3.34Å; L66-C70 PolarHBondContact O-SG 3.39Å
67L95.5Very high94.2Very high54 Ų5457.8 Ų57.828%0.28330%0.298SS..Hα-helixtrans-64.1-42.2176.4-176.166.8000112.2S63 G64 I65 F69 C70 F71 L307S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 PolarHBondContact O-N 2.85Å; G64-L67 PolarHBondContact O-N 3.4Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 2.87Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.21Å; L67-C70 PolarHBondContact O-N 2.95Å; L67-F71 HydrophobicContact CD1-CD2 4.5Å; L67-F71 HydrophobicContact CD1-CE1 4.31Å; L67-F71 HydrophobicContact CD1-CE2 3.88Å; L67-F71 HydrophobicContact CD1-CZ 3.76Å; L67-F71 HydrophobicContact CD2-CE2 3.96Å; L67-F71 HydrophobicContact CD2-CZ 4.39Å; L67-F71 HydrophobicContact CG-CD2 4.12Å; L67-F71 HydrophobicContact CG-CE2 3.61Å; L67-F71 HydrophobicContact CG-CZ 4.04Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.29Å; L67-L307 HydrophobicContact CD2-CD1 3.37Å
68A95.9Very high93.6Very high1 Ų159.4 Ų59.41%0.00830%0.304CS..Hα-helixtrans-62.3-39.2174.600000111.8G64 I65 F71 L72 L96 V100 Y103G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 2.9Å; I65-A68 PolarHBondContact O-N 3.1Å; A68-F71 PolarHBondContact O-N 3.25Å; A68-L72 WeakPolarHBondContact O-CB 3.45Å; A68-L72 PolarHBondContact O-N 3.11Å; A68-L96 HydrophobicContact CB-CD2 4.35Å; A68-V100 HydrophobicContact CB-CG2 4.11Å; A68-Y103 HydrophobicContact CB-CE2 4.35Å
69F95.2Very high93Very high123 Ų12360 Ų6054%0.53931%0.309SS..Hα-helixtrans-66.2-41.5174.5-172.2-99.6000112.1I65 L66 L67 F71 L72 V73I65-F69 WeakPolarHBondContact O-CB 3.49Å; I65-F69 PolarHBondContact O-N 3.02Å; L66-F69 PolarHBondContact O-N 3.47Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.21Å; F69-F71 PolarHBondContact O-N 3.17Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.12Å; F69-V73 HydrophobicContact CD1-CG2 4Å; F69-V73 HydrophobicContact CE1-CG2 3.58Å; F69-V73 HydrophobicContact CE2-CG2 4.4Å; F69-V73 HydrophobicContact CZ-CG2 3.81Å; F69-V73 WeakPolarHBondContact O-CG2 3.4Å; F69-V73 PolarHBondContact O-N 2.93Å
70C94.7Very high92Very high68 Ų6862.6 Ų62.646%0.45932%0.319SS..Hα-helixtrans-59.2-45.2173-71.60000112.1L66 L67 L72 V73 F74L66-C70 PolarHBondContact O-N 3.34Å; L66-C70 PolarHBondContact O-SG 3.39Å; L67-C70 PolarHBondContact O-N 2.95Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 3.45Å; C70-V73 PolarHBondContact O-N 3.45Å; C70-F74 WeakPolarHBondContact O-CB 3.5Å; C70-F74 PolarHBondContact O-N 3.03Å
71F93.8Very high91.2Very high15 Ų1561.3 Ų61.37%0.06631%0.314CS..Hα-helixtrans-66.5-29.7174.1-66.4-35.9000113.1L67 A68 F69 T75 L96 N310 F314 V315L67-F71 HydrophobicContact CD1-CD2 4.5Å; L67-F71 HydrophobicContact CD1-CE1 4.31Å; L67-F71 HydrophobicContact CD1-CE2 3.88Å; L67-F71 HydrophobicContact CD1-CZ 3.76Å; L67-F71 HydrophobicContact CD2-CE2 3.96Å; L67-F71 HydrophobicContact CD2-CZ 4.39Å; L67-F71 HydrophobicContact CG-CD2 4.12Å; L67-F71 HydrophobicContact CG-CE2 3.61Å; L67-F71 HydrophobicContact CG-CZ 4.04Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.29Å; A68-F71 PolarHBondContact O-N 3.25Å; F69-F71 PolarHBondContact O-N 3.17Å; F71-T75 VanDerWaalsContact O-CB 3.3Å; F71-T75 WeakPolarHBondContact O-CB 3.48Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 2.83Å; F71-L96 HydrophobicContact CB-CD1 4.03Å; F71-L96 HydrophobicContact CB-CD2 3.79Å; F71-L96 HydrophobicContact CD2-CD2 4.47Å; F71-N310 HydrophobicContact CD2-CB 4.4Å; F71-N310 HydrophobicContact CE2-CB 4.31Å; F71-F314 HydrophobicContact CB-CB 4.38Å; F71-F314 HydrophobicContact CB-CD1 4.25Å; F71-F314 HydrophobicContact CB-CD2 4.35Å; F71-F314 HydrophobicContact CB-CG 4.06Å; F71-F314 HydrophobicContact CD1-CB 3.71Å; F71-F314 HydrophobicContact CD1-CG 4.32Å; F71-F314 HydrophobicContact CD2-CB 3.84Å; F71-F314 HydrophobicContact CD2-CD2 4.04Å; F71-F314 HydrophobicContact CD2-CG 4.06Å; F71-F314 HydrophobicContact CE1-CB 3.82Å; F71-F314 HydrophobicContact CE2-CB 3.95Å; F71-F314 HydrophobicContact CG-CB 3.73Å; F71-F314 HydrophobicContact CG-CD1 4.5Å; F71-F314 HydrophobicContact CG-CD2 4.28Å; F71-F314 AromaticContact CG-CG 3.92Å; F71-F314 HydrophobicContact CG-CG 3.92Å; F71-F314 HydrophobicContact CZ-CB 3.94Å; F71-V315 HydrophobicContact CZ-CG2 4.4Å
72L93.4Very high90Very high39 Ų3972.3 Ų72.320%0.20436%0.356CS..Hα-helixtrans-69.9-49.2175-178.763.2000111.2A68 F69 C70 F74 T75 L76 V93 L96A68-L72 WeakPolarHBondContact O-CB 3.45Å; A68-L72 PolarHBondContact O-N 3.11Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.12Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 3.45Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 3.4Å; L72-T75 PolarHBondContact O-N 2.95Å; L72-L76 HydrophobicContact CD1-CD1 4.11Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å; L72-V93 HydrophobicContact CD1-CB 4.33Å; L72-V93 HydrophobicContact CD1-CG1 4Å; L72-V93 HydrophobicContact CD1-CG2 4.02Å; L72-L96 HydrophobicContact CB-CD1 4.1Å; L72-L96 HydrophobicContact CD1-CD1 4.37Å
73V92.4Very high88.8Confident65 Ų6571 Ų7139%0.39434%0.344SS..Hα-helixtrans-59.4-43175.5173.10000110.7F69 C70 L76 R77F69-V73 HydrophobicContact CD1-CG2 4Å; F69-V73 HydrophobicContact CE1-CG2 3.58Å; F69-V73 HydrophobicContact CE2-CG2 4.4Å; F69-V73 HydrophobicContact CZ-CG2 3.81Å; F69-V73 WeakPolarHBondContact O-CG2 3.4Å; F69-V73 PolarHBondContact O-N 2.93Å; C70-V73 PolarHBondContact O-N 3.45Å; V73-L76 PolarHBondContact O-N 2.96Å; V73-R77 HydrophobicContact CG1-CG 4.16Å; V73-R77 VanDerWaalsContact O-CB 3.3Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 WeakPolarHBondContact O-CG 3.39Å; V73-R77 PolarHBondContact O-N 3.43Å
74F90.4Very high87.6Confident21 Ų2168.3 Ų68.39%0.09233%0.325CS..Hα-helixtrans-57.5-51.9172.4175.4-97.9000112.1C70 L72 L76 R77 F78 V84 L318 W321C70-F74 WeakPolarHBondContact O-CB 3.5Å; C70-F74 PolarHBondContact O-N 3.03Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 3.4Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.08Å; F74-R77 PolarHBondContact O-N 3.11Å; F74-F78 AromaticContact CD2-CD2 3.43Å; F74-F78 HydrophobicContact CD2-CD2 3.43Å; F74-F78 VanDerWaalsContact CD2-CD2 3.43Å; F74-F78 AromaticContact CD2-CE2 3.68Å; F74-F78 HydrophobicContact CD2-CE2 3.68Å; F74-F78 AromaticContact CE2-CD2 3.52Å; F74-F78 HydrophobicContact CE2-CD2 3.52Å; F74-F78 AromaticContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CG 4.47Å; F74-F78 HydrophobicContact CG-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.34Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 PolarHBondContact O-N 3.43Å; F74-V84 HydrophobicContact CE1-CG2 4.38Å; F74-L318 HydrophobicContact CD2-CD1 3.82Å; F74-L318 HydrophobicContact CE2-CD1 3.48Å; F74-L318 VanDerWaalsContact CE2-CD1 3.48Å; F74-L318 HydrophobicContact CZ-CD1 3.92Å; F74-W321 HydrophobicContact CE2-CB 4.47Å; F74-W321 AromaticContact CE2-CD2 3.79Å; F74-W321 HydrophobicContact CE2-CD2 3.79Å; F74-W321 AromaticContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CG 4.16Å; F74-W321 HydrophobicContact CE2-CZ3 4.22Å; F74-W321 HydrophobicContact CZ-CB 4.01Å; F74-W321 HydrophobicContact CZ-CD2 4.21Å; F74-W321 HydrophobicContact CZ-CE3 4.27Å; F74-W321 HydrophobicContact CZ-CG 4.1Å
75T89.8Confident86.7Confident1 Ų175.3 Ų75.31%0.00636%0.355CS..Hα-helixtrans-60.9-36.9-179.7-60.80000112.2F71 L72 K79 P89 N92 V93F71-T75 VanDerWaalsContact O-CB 3.3Å; F71-T75 WeakPolarHBondContact O-CB 3.48Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 2.83Å; L72-T75 PolarHBondContact O-N 2.95Å; T75-K79 WeakPolarHBondContact O-CA 3.45Å; T75-K79 WeakPolarHBondContact O-CB 3.47Å; T75-K79 PolarHBondContact O-N 2.94Å; T75-P89 HydrophobicContact CG2-CB 4.23Å; T75-N92 HydrophobicContact CG2-CB 3.72Å; T75-V93 HydrophobicContact CG2-CG2 3.85Å
76L90.1Very high85.2Confident95 Ų9579.5 Ų79.550%0.49738%0.375SS..Hα-helixtrans-75.7-48178.4-68.6173.5000112.2L72 V73 F74 F78 K79 V93L72-L76 HydrophobicContact CD1-CD1 4.11Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å; V73-L76 PolarHBondContact O-N 2.96Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.08Å; L76-F78 VanDerWaalsContact C-N 3.35Å; L76-F78 PolarHBondContact O-N 2.95Å; L76-K79 WeakPolarHBondContact O-CB 3.27Å; L76-K79 PolarHBondContact O-N 3.35Å; L76-V93 HydrophobicContact CD2-CG2 4.04Å
77R88.7Confident84Confident188 Ų18875 Ų7571%0.70935%0.353SS*.Hα-helixtrans-62.3-39.8-179.3-77.2-74.9-102.8105.4-4.1112.4V73 F74V73-R77 HydrophobicContact CG1-CG 4.16Å; V73-R77 VanDerWaalsContact O-CB 3.3Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 WeakPolarHBondContact O-CG 3.39Å; V73-R77 PolarHBondContact O-N 3.43Å; F74-R77 PolarHBondContact O-N 3.11Å
78F81.8Confident83.2Confident48 Ų4872.8 Ų72.821%0.21134%0.342CS..THydrogen-bonded Turntrans-101.813.3-176.6-60.1-64.2000113.9F74 L76 N80 N81 V84 W321F74-F78 AromaticContact CD2-CD2 3.43Å; F74-F78 HydrophobicContact CD2-CD2 3.43Å; F74-F78 VanDerWaalsContact CD2-CD2 3.43Å; F74-F78 AromaticContact CD2-CE2 3.68Å; F74-F78 HydrophobicContact CD2-CE2 3.68Å; F74-F78 AromaticContact CE2-CD2 3.52Å; F74-F78 HydrophobicContact CE2-CD2 3.52Å; F74-F78 AromaticContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CG 4.47Å; F74-F78 HydrophobicContact CG-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.34Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 PolarHBondContact O-N 3.43Å; L76-F78 VanDerWaalsContact C-N 3.35Å; L76-F78 PolarHBondContact O-N 2.95Å; F78-N80 PolarHBondContact O-N 3.32Å; F78-N81 WeakPolarHBondContact CD1-ND2 2.94Å; F78-N81 WeakPolarHBondContact O-CB 3.31Å; F78-N81 PolarHBondContact O-N 3.31Å; F78-V84 HydrophobicContact CB-CG2 4.03Å; F78-V84 WeakPolarHBondContact O-CB 3.47Å; F78-W321 HydrophobicContact CD1-CZ2 4.37Å; F78-W321 AromaticContact CE1-CE2 3.99Å; F78-W321 HydrophobicContact CE1-CH2 4.47Å; F78-W321 AromaticContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE2-CH2 4.05Å; F78-W321 AromaticContact CE2-CZ2 3.86Å; F78-W321 HydrophobicContact CE2-CZ2 3.86Å; F78-W321 AromaticContact CZ-CE2 3.91Å; F78-W321 AromaticContact CZ-CH2 3.73Å; F78-W321 HydrophobicContact CZ-CH2 3.73Å; F78-W321 AromaticContact CZ-CZ2 3.32Å; F78-W321 HydrophobicContact CZ-CZ2 3.32Å
79K81.9Confident82.5Confident90 Ų9073.2 Ų73.239%0.39135%0.345SS..THydrogen-bonded Turntrans-50.4-31.8-179.1-167175.673.1177.20114.3T75 L76 P89T75-K79 WeakPolarHBondContact O-CA 3.45Å; T75-K79 WeakPolarHBondContact O-CB 3.47Å; T75-K79 PolarHBondContact O-N 2.94Å; L76-K79 WeakPolarHBondContact O-CB 3.27Å; L76-K79 PolarHBondContact O-N 3.35Å; K79-P89 HydrophobicContact CD-CB 4.46Å; K79-P89 HydrophobicContact CD-CG 4.36Å; K79-P89 HydrophobicContact CG-CB 3.84Å; K79-P89 HydrophobicContact CG-CG 3.71Å
80N74.9Confident82.2Confident140 Ų14071 Ų7175%0.74934%0.338SS*.THydrogen-bonded Turntrans-82.8-16.8-178.4-66.7-6.5000113.4F78F78-N80 PolarHBondContact O-N 3.32Å
81N77.2Confident81.9Confident61 Ų6167.7 Ų67.733%0.32632%0.317SS..SBendtrans-68.9139.7-179.8-69.44.3000110.6F78 I83 V84 K85F78-N81 WeakPolarHBondContact CD1-ND2 2.94Å; F78-N81 WeakPolarHBondContact O-CB 3.31Å; F78-N81 PolarHBondContact O-N 3.31Å; N81-I83 PolarHBondContact O-N 3.43Å; N81-V84 PolarHBondContact O-N 2.99Å; N81-K85 VanDerWaalsContact O-CB 3.31Å; N81-K85 WeakPolarHBondContact O-CB 3.35Å; N81-K85 PolarHBondContact O-N 2.88Å
82R72Confident81.7Confident231 Ų23167 Ų6787%0.87231%0.314SS*.Hα-helixtrans-50.5-37.4-175.8-174.8176.4176.6179.1-1.8113.6M86R82-M86 WeakPolarHBondContact O-CB 3.38Å; R82-M86 PolarHBondContact O-N 3.48Å; R82-M86 VanDerWaalsContact O-N 3.09Å
83I71.6Confident81.7Confident34 Ų3467.3 Ų67.317%0.17432%0.317CS..Hα-helixtrans-66.7-57.4-179.3-53.1149.8000110.8N81 K85 M86 S87 W321 F324N81-I83 PolarHBondContact O-N 3.43Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.02Å; I83-M86 WeakPolarHBondContact O-CB 3.5Å; I83-M86 PolarHBondContact O-N 2.89Å; I83-M86 VanDerWaalsContact O-N 3.07Å; I83-S87 PolarHBondContact O-N 3.2Å; I83-W321 HydrophobicContact CD1-CB 4.38Å; I83-F324 HydrophobicContact CD1-CB 3.84Å; I83-F324 HydrophobicContact CD1-CD2 3.31Å; I83-F324 HydrophobicContact CD1-CE2 4.06Å; I83-F324 HydrophobicContact CD1-CG 3.78Å; I83-F324 HydrophobicContact CG1-CD2 3.75Å; I83-F324 HydrophobicContact CG1-CE2 3.97Å; I83-F324 HydrophobicContact CG1-CG 4.46Å
84V70.6Confident81.8Confident1 Ų165.8 Ų65.81%0.00631%0.306CS..Hα-helixtrans-67.2-31.6-179179.60000111.3F74 F78 N81 M86 S87 P89F74-V84 HydrophobicContact CE1-CG2 4.38Å; F78-V84 HydrophobicContact CB-CG2 4.03Å; F78-V84 WeakPolarHBondContact O-CB 3.47Å; N81-V84 PolarHBondContact O-N 2.99Å; V84-M86 VanDerWaalsContact C-N 3.34Å; V84-S87 PolarHBondContact O-N 3.3Å; V84-S87 PolarHBondContact O-OG 3.41Å; V84-S87 VanDerWaalsContact O-OG 3.05Å; V84-P89 HydrophobicContact CG1-CB 4.11Å; V84-P89 WeakPolarHBondContact O-CD 3.38Å
85K76.9Confident81.9Confident147 Ų14764.9 Ų64.964%0.63930%0.302SS*.Hα-helixtrans-64.3-37.3171.4-169.5173.2-177.6176.60112.1N81 I83N81-K85 VanDerWaalsContact O-CB 3.31Å; N81-K85 WeakPolarHBondContact O-CB 3.35Å; N81-K85 PolarHBondContact O-N 2.88Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.02Å
86M66.9Low82.2Confident136 Ų13664.9 Ų64.967%0.6730%0.302SS*.Hα-helixtrans-69.4-35.4176.7-16668.5177.800112.3R82 I83 V84 S88R82-M86 WeakPolarHBondContact O-CB 3.38Å; R82-M86 PolarHBondContact O-N 3.48Å; R82-M86 VanDerWaalsContact O-N 3.09Å; I83-M86 WeakPolarHBondContact O-CB 3.5Å; I83-M86 PolarHBondContact O-N 2.89Å; I83-M86 VanDerWaalsContact O-N 3.07Å; V84-M86 VanDerWaalsContact C-N 3.34Å; M86-S88 PolarHBondContact O-N 3.29Å; M86-S88 VanDerWaalsContact O-N 3.12Å
87S70.6Confident82.5Confident16 Ų1664.7 Ų64.711%0.11230%0.302CS..THydrogen-bonded Turntrans-75.56.4179.6690000115I83 V84 N92 K147 Q317I83-S87 PolarHBondContact O-N 3.2Å; V84-S87 PolarHBondContact O-N 3.3Å; V84-S87 PolarHBondContact O-OG 3.41Å; V84-S87 VanDerWaalsContact O-OG 3.05Å; S87-N92 PolarHBondContact OG-ND2 3.42Å; S87-K147 WeakPolarHBondContact O-CE 3.41Å; S87-K147 PolarHBondContact O-NZ 2.89Å; S87-Q317 PolarHBondContact OG-OE1 3.08Å
88S77.7Confident82.8Confident9 Ų955.8 Ų55.86%0.06327%0.268CS..  trans60.779.6-179.8-54.60000112.3M86 N90 L91 N92 R150M86-S88 PolarHBondContact O-N 3.29Å; M86-S88 VanDerWaalsContact O-N 3.12Å; S88-N90 PolarHBondContact O-N 2.97Å; S88-L91 WeakPolarHBondContact O-CB 3.46Å; S88-L91 PolarHBondContact O-N 3.48Å; S88-L91 VanDerWaalsContact O-N 3.09Å; S88-N92 PolarHBondContact O-N 3.38Å; S88-R150 PolarHBondContact OG-NH1 3.33Å; S88-R150 VanDerWaalsContact OG-NH1 3.08Å
89P82.8Confident83.5Confident10 Ų1053.5 Ų53.57%0.06526%0.258CS..Hα-helixtrans-68.7-31.6-163.124.9-32.4000113.8T75 K79 V84 L91 N92 V93T75-P89 HydrophobicContact CG2-CB 4.23Å; K79-P89 HydrophobicContact CD-CB 4.46Å; K79-P89 HydrophobicContact CD-CG 4.36Å; K79-P89 HydrophobicContact CG-CB 3.84Å; K79-P89 HydrophobicContact CG-CG 3.71Å; V84-P89 HydrophobicContact CG1-CB 4.11Å; V84-P89 WeakPolarHBondContact O-CD 3.38Å; P89-L91 PolarHBondContact O-N 3.3Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.47Å; P89-N92 VanDerWaalsContact O-N 3.12Å; P89-V93 WeakPolarHBondContact O-CG2 3.49Å; P89-V93 PolarHBondContact O-N 3.44Å
90N88.3Confident84.2Confident75 Ų7551 Ų5140%0.40125%0.25SC..Hα-helixtrans-61.7-32176.2-61.4-6000111.7S88 L94 I172S88-N90 PolarHBondContact O-N 2.97Å; N90-L94 WeakPolarHBondContact O-CB 3.36Å; N90-L94 PolarHBondContact O-N 2.99Å; N90-L94 VanDerWaalsContact O-N 3.17Å; N90-I172 HydrophobicContact CB-CD1 4.04Å
91L88.2Confident85.2Confident0 Ų045.9 Ų45.90%022%0.222CC..Hα-helixtrans-79.8-31.3175.7-64.3174.9000112.1S88 P89 L94 T95 P143 K147 L171 I172S88-L91 WeakPolarHBondContact O-CB 3.46Å; S88-L91 PolarHBondContact O-N 3.48Å; S88-L91 VanDerWaalsContact O-N 3.09Å; P89-L91 PolarHBondContact O-N 3.3Å; L91-L94 PolarHBondContact O-N 2.95Å; L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 2.89Å; L91-P143 HydrophobicContact CB-CB 3.98Å; L91-P143 HydrophobicContact CD2-CB 4.03Å; L91-K147 HydrophobicContact CD1-CG 3.89Å; L91-L171 HydrophobicContact CD1-CB 4.43Å; L91-L171 HydrophobicContact CD1-CD2 3.68Å; L91-L171 HydrophobicContact CD1-CG 3.97Å; L91-I172 HydrophobicContact CD2-CG1 3.86Å
92N90.6Very high86Confident1 Ų143.2 Ų43.21%0.00521%0.208CC..Hα-helixtrans-60.9-47.1168.4-80.6-11.1000111.3T75 S87 S88 P89 L94 T95 L96 K147 F314 Q317T75-N92 HydrophobicContact CG2-CB 3.72Å; S87-N92 PolarHBondContact OG-ND2 3.42Å; S88-N92 PolarHBondContact O-N 3.38Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.47Å; P89-N92 VanDerWaalsContact O-N 3.12Å; N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.7Å; N92-T95 PolarHBondContact O-N 3.26Å; N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.22Å; N92-K147 PolarHBondContact OD1-NZ 3.35Å; N92-F314 HydrophobicContact CB-CE1 3.75Å; N92-F314 HydrophobicContact CB-CZ 3.77Å; N92-Q317 PolarHBondContact ND2-OE1 3.29Å
93V92.8Very high87.2Confident44 Ų4432.2 Ų32.227%0.26717%0.167SC..Hα-helixtrans-58.7-41.3176.3171.30000110.8L72 T75 L76 P89 L96 L97L72-V93 HydrophobicContact CD1-CB 4.33Å; L72-V93 HydrophobicContact CD1-CG1 4Å; L72-V93 HydrophobicContact CD1-CG2 4.02Å; T75-V93 HydrophobicContact CG2-CG2 3.85Å; L76-V93 HydrophobicContact CD2-CG2 4.04Å; P89-V93 WeakPolarHBondContact O-CG2 3.49Å; P89-V93 PolarHBondContact O-N 3.44Å; V93-L96 PolarHBondContact O-N 3.2Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 PolarHBondContact O-N 3.16Å
94L93.4Very high88.3Confident33 Ų3333.4 Ų33.417%0.17317%0.173CC..Hα-helixtrans-66.8-42.1179.7-16259.5000112.6N90 L91 N92 L97 G98 L139 P143 V175N90-L94 WeakPolarHBondContact O-CB 3.36Å; N90-L94 PolarHBondContact O-N 2.99Å; N90-L94 VanDerWaalsContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 2.95Å; N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 2.71Å; L94-G98 PolarHBondContact O-N 3.44Å; L94-L139 HydrophobicContact CD1-CD2 3.39Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; L94-L139 HydrophobicContact CG-CD2 3.65Å; L94-P143 HydrophobicContact CB-CG 3.98Å; L94-P143 HydrophobicContact CD2-CG 3.98Å; L94-P143 HydrophobicContact CG-CG 3.94Å; L94-V175 HydrophobicContact CD2-CB 4.26Å; L94-V175 HydrophobicContact CD2-CG1 3.85Å
95T94Very high89.4Confident2 Ų233.4 Ų33.41%0.01217%0.173CC..Hα-helixtrans-61.9-42171.4-68.20000112.2L91 N92 G98 S99 L139 V140 P143 L313L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 2.89Å; N92-T95 PolarHBondContact O-N 3.26Å; T95-G98 PolarHBondContact O-N 3.09Å; T95-S99 PolarHBondContact O-N 3.12Å; T95-L139 WeakPolarHBondContact CA-O 3.46Å; T95-V140 HydrophobicContact CG2-CG1 4.33Å; T95-V140 PolarHBondContact OG1-O 3.18Å; T95-P143 WeakPolarHBondContact OG1-CB 3.17Å; T95-L313 HydrophobicContact CG2-CD1 3.91Å
96L95.4Very high90.1Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..Hα-helixtrans-67.3-41.2179.4-72.9167.7000112A68 F71 L72 N92 V93 G98 S99 V100 F314A68-L96 HydrophobicContact CB-CD2 4.35Å; F71-L96 HydrophobicContact CB-CD1 4.03Å; F71-L96 HydrophobicContact CB-CD2 3.79Å; F71-L96 HydrophobicContact CD2-CD2 4.47Å; L72-L96 HydrophobicContact CB-CD1 4.1Å; L72-L96 HydrophobicContact CD1-CD1 4.37Å; N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.22Å; V93-L96 PolarHBondContact O-N 3.2Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.17Å; L96-S99 WeakPolarHBondContact CA-OG 3.43Å; L96-S99 PolarHBondContact O-N 3.05Å; L96-S99 VanDerWaalsContact O-N 3.13Å; L96-S99 PolarHBondContact O-OG 3.05Å; L96-V100 PolarHBondContact O-N 2.9Å; L96-F314 HydrophobicContact CD1-CE1 3.87Å; L96-F314 HydrophobicContact CD1-CE2 4.05Å; L96-F314 HydrophobicContact CD1-CZ 3.51Å; L96-F314 HydrophobicContact CD2-CD2 4.07Å; L96-F314 HydrophobicContact CD2-CE2 3.53Å; L96-F314 HydrophobicContact CD2-CZ 3.91Å; L96-F314 HydrophobicContact CG-CE1 4.37Å; L96-F314 HydrophobicContact CG-CE2 3.66Å; L96-F314 HydrophobicContact CG-CZ 3.53Å
97L95.5Very high91.2Very high92 Ų9222 Ų2248%0.48212%0.12SC..Hα-helixtrans-57.7-45.7171.1-178.862.7000111V93 L94 S99 V100 L101V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 PolarHBondContact O-N 3.16Å; L94-L97 PolarHBondContact O-N 2.71Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.99Å; L97-V100 PolarHBondContact O-N 3.27Å; L97-L101 HydrophobicContact CG-CD1 4.41Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.09Å; L97-L101 VanDerWaalsContact O-N 3.07Å
98G96Very high92Very high0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-54.4-45172.300000113.3L94 T95 L96 V100 L101 T102L94-G98 PolarHBondContact O-N 3.44Å; T95-G98 PolarHBondContact O-N 3.09Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.17Å; G98-V100 VanDerWaalsContact C-N 3.35Å; G98-V100 PolarHBondContact O-N 3.31Å; G98-L101 PolarHBondContact O-N 3.4Å; G98-T102 PolarHBondContact O-N 2.94Å
99S95.9Very high92.3Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-66.1-33.4178.872.90000113.5T95 L96 L97 T102 Y103 T306 N310T95-S99 PolarHBondContact O-N 3.12Å; L96-S99 WeakPolarHBondContact CA-OG 3.43Å; L96-S99 PolarHBondContact O-N 3.05Å; L96-S99 VanDerWaalsContact O-N 3.13Å; L96-S99 PolarHBondContact O-OG 3.05Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.99Å; S99-T102 PolarHBondContact O-OG1 3.41Å; S99-Y103 WeakPolarHBondContact O-CD2 3.5Å; S99-Y103 PolarHBondContact O-N 3.12Å; S99-Y103 VanDerWaalsContact O-N 3.09Å; S99-T306 VanDerWaalsContact CB-CG2 3.45Å; S99-N310 VanDerWaalsContact CB-ND2 3.32Å; S99-N310 WeakPolarHBondContact CB-ND2 3.45Å; S99-N310 PolarHBondContact OG-ND2 3.07Å
100V97Very high92.3Very high37 Ų3723.7 Ų23.722%0.22413%0.125CC..Hα-helixtrans-67.3-41172.9173.70000110.5A68 L96 L97 G98 Y103 I104A68-V100 HydrophobicContact CB-CG2 4.11Å; L96-V100 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 3.27Å; G98-V100 VanDerWaalsContact C-N 3.35Å; G98-V100 PolarHBondContact O-N 3.31Å; V100-Y103 PolarHBondContact O-N 2.92Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 VanDerWaalsContact O-CG1 3.26Å; V100-I104 WeakPolarHBondContact O-CG1 3.44Å; V100-I104 PolarHBondContact O-N 3.1Å
101L95.4Very high91.6Very high33 Ų3323.1 Ų23.117%0.17312%0.121CC..Hα-helixtrans-65.1-39.2176.7-62.5168.3000112.5L97 G98 I104 S105 M132 L139L97-L101 HydrophobicContact CG-CD1 4.41Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.09Å; L97-L101 VanDerWaalsContact O-N 3.07Å; G98-L101 PolarHBondContact O-N 3.4Å; L101-I104 PolarHBondContact O-N 3.19Å; L101-S105 PolarHBondContact O-N 3.45Å; L101-M132 HydrophobicContact CD2-CE 3.45Å; L101-M132 VanDerWaalsContact CD2-CE 3.45Å; L101-M132 HydrophobicContact CD2-SD 3.86Å; L101-L139 HydrophobicContact CD1-CD1 3.44Å; L101-L139 VanDerWaalsContact CD1-CD1 3.44Å
102T95.5Very high90.3Very high5 Ų526.8 Ų26.83%0.03114%0.14CC..Hα-helixtrans-66.5-42.5174.659.10000111.8G98 S99 I104 S105 G106 G136 T306G98-T102 PolarHBondContact O-N 2.94Å; S99-T102 PolarHBondContact O-OG1 3.41Å; T102-I104 PolarHBondContact O-N 3.43Å; T102-S105 PolarHBondContact O-N 3.41Å; T102-S105 PolarHBondContact O-OG 3.38Å; T102-G106 PolarHBondContact O-N 2.89Å; T102-G136 VanDerWaalsContact CG2-C 3.44Å; T102-T306 PolarHBondContact OG1-OG1 3.05Å
103Y96.3Very high88.5Confident0 Ų029.4 Ų29.40%015%0.152CC..Hα-helixtrans-62.6-41.5174.5-66.1-50.6000112.5L61 G64 I65 A68 S99 V100 S105 G106 F107 F303 T306 L307L61-Y103 HydrophobicContact CD2-CD1 3.88Å; G64-Y103 WeakPolarHBondContact O-CE2 3.48Å; I65-Y103 VanDerWaalsContact CG1-CB 3.44Å; I65-Y103 HydrophobicContact CG1-CD2 3.77Å; I65-Y103 HydrophobicContact CG1-CG 3.91Å; A68-Y103 HydrophobicContact CB-CE2 4.35Å; S99-Y103 WeakPolarHBondContact O-CD2 3.5Å; S99-Y103 PolarHBondContact O-N 3.12Å; S99-Y103 VanDerWaalsContact O-N 3.09Å; V100-Y103 PolarHBondContact O-N 2.92Å; Y103-S105 VanDerWaalsContact C-N 3.3Å; Y103-S105 PolarHBondContact O-N 2.85Å; Y103-G106 PolarHBondContact O-N 3.3Å; Y103-G106 VanDerWaalsContact O-N 3.08Å; Y103-F107 WeakPolarHBondContact O-CD2 3.22Å; Y103-F107 PolarHBondContact O-N 3.2Å; Y103-F303 HydrophobicContact CE1-CD2 4.01Å; Y103-T306 HydrophobicContact CD2-CG2 4.46Å; Y103-T306 HydrophobicContact CE1-CG2 3.88Å; Y103-T306 HydrophobicContact CE2-CG2 3.79Å; Y103-T306 VanDerWaalsContact CZ-CG2 3.46Å; Y103-L307 PolarHBondContact OH-N 3.44Å
104I94.3Very high86.2Confident60 Ų6035.6 Ų35.631%0.30817%0.171SC..Hα-helixtrans-58.7-41.4174.4-70.4165.6000110.9I65 V100 L101 T102 G106 F107 L108 M132I65-I104 HydrophobicContact CD1-CG1 4.48Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 VanDerWaalsContact O-CG1 3.26Å; V100-I104 WeakPolarHBondContact O-CG1 3.44Å; V100-I104 PolarHBondContact O-N 3.1Å; L101-I104 PolarHBondContact O-N 3.19Å; T102-I104 PolarHBondContact O-N 3.43Å; I104-G106 VanDerWaalsContact C-N 3.26Å; I104-G106 PolarHBondContact O-N 3.23Å; I104-F107 WeakPolarHBondContact O-CB 3.4Å; I104-F107 PolarHBondContact O-N 3.42Å; I104-F107 VanDerWaalsContact O-N 3.08Å; I104-L108 HydrophobicContact CG2-CD1 4.37Å; I104-L108 PolarHBondContact O-N 3.06Å; I104-L108 VanDerWaalsContact O-N 3.09Å; I104-M132 HydrophobicContact CB-CE 4.11Å; I104-M132 HydrophobicContact CD1-CE 4.43Å; I104-M132 HydrophobicContact CG2-CE 3.59Å
105S93.5Very high83.9Confident0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-58.3-38.5175.378.70000112.5L101 T102 Y103 F107 L108 F109L101-S105 PolarHBondContact O-N 3.45Å; T102-S105 PolarHBondContact O-N 3.41Å; T102-S105 PolarHBondContact O-OG 3.38Å; Y103-S105 VanDerWaalsContact C-N 3.3Å; Y103-S105 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.02Å; S105-L108 PolarHBondContact O-N 2.88Å; S105-L108 VanDerWaalsContact O-N 3.1Å; S105-F109 WeakPolarHBondContact O-CD2 3.47Å; S105-F109 PolarHBondContact O-N 3.34Å
106G92Very high81.5Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-64.6-27.6175.800000114.6L61 T102 Y103 I104 Y295L61-G106 VanDerWaalsContact CD1-C 3.43Å; T102-G106 PolarHBondContact O-N 2.89Å; Y103-G106 PolarHBondContact O-N 3.3Å; Y103-G106 VanDerWaalsContact O-N 3.08Å; I104-G106 VanDerWaalsContact C-N 3.26Å; I104-G106 PolarHBondContact O-N 3.23Å; G106-Y295 PolarHBondContact O-OH 3.44Å
107F90.6Very high79.1Confident45 Ų4545.7 Ų45.720%0.19724%0.239CC..Hα-helixtrans-73.8-42.7168.7-77.9-82000111.6W58 L61 I65 Y103 I104 S105 F109 A110W58-F107 HydrophobicContact CB-CE1 3.78Å; W58-F107 AromaticContact CD1-CD1 3.67Å; W58-F107 AromaticContact CD1-CE1 3.78Å; W58-F107 HydrophobicContact CD2-CD1 4.12Å; W58-F107 HydrophobicContact CD2-CE1 4.09Å; W58-F107 AromaticContact CG-CD1 3.88Å; W58-F107 HydrophobicContact CG-CD1 3.88Å; W58-F107 AromaticContact CG-CE1 3.61Å; W58-F107 HydrophobicContact CG-CE1 3.61Å; W58-F107 AromaticContact NE1-CD1 3.75Å; L61-F107 HydrophobicContact CB-CD2 4.05Å; L61-F107 HydrophobicContact CB-CE1 4.45Å; L61-F107 HydrophobicContact CB-CE2 3.38Å; L61-F107 HydrophobicContact CB-CZ 3.63Å; L61-F107 HydrophobicContact CD1-CD2 4.11Å; L61-F107 HydrophobicContact CD1-CE2 4.25Å; L61-F107 HydrophobicContact CD1-CG 4.31Å; L61-F107 HydrophobicContact CG-CE2 4.45Å; I65-F107 HydrophobicContact CD1-CD2 4.3Å; I65-F107 HydrophobicContact CD1-CE2 3.74Å; Y103-F107 WeakPolarHBondContact O-CD2 3.22Å; Y103-F107 PolarHBondContact O-N 3.2Å; I104-F107 WeakPolarHBondContact O-CB 3.4Å; I104-F107 PolarHBondContact O-N 3.42Å; I104-F107 VanDerWaalsContact O-N 3.08Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.02Å; F107-F109 VanDerWaalsContact C-N 3.31Å; F107-F109 PolarHBondContact O-N 3.32Å; F107-A110 WeakPolarHBondContact O-CA 3.39Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 3.18Å
108L87.3Confident77Confident38 Ų3847.4 Ų47.420%0.19925%0.245CC..Hα-helixtrans-62.4-36179-63.6175000112.3I104 S105 A110 M111 L125 A128 R129 M132I104-L108 HydrophobicContact CG2-CD1 4.37Å; I104-L108 PolarHBondContact O-N 3.06Å; I104-L108 VanDerWaalsContact O-N 3.09Å; S105-L108 PolarHBondContact O-N 2.88Å; S105-L108 VanDerWaalsContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 3.22Å; L108-A110 VanDerWaalsContact O-N 3.11Å; L108-M111 PolarHBondContact O-N 2.83Å; L108-M111 VanDerWaalsContact O-N 3.15Å; L108-L125 HydrophobicContact CB-CD2 4.5Å; L108-L125 HydrophobicContact CD2-CG 4.32Å; L108-A128 HydrophobicContact CD1-CB 4.36Å; L108-R129 HydrophobicContact CB-CB 3.6Å; L108-R129 HydrophobicContact CD1-CB 4.25Å; L108-M132 HydrophobicContact CD1-CG 4.45Å
109F83.8Confident75.2Confident30 Ų3050.3 Ų50.313%0.13227%0.269CS..THydrogen-bonded Turntrans-59.2-17.7170.1-82-72000114.3S105 F107 R129 M130 L133 Y295 I302S105-F109 WeakPolarHBondContact O-CD2 3.47Å; S105-F109 PolarHBondContact O-N 3.34Å; F107-F109 VanDerWaalsContact C-N 3.31Å; F107-F109 PolarHBondContact O-N 3.32Å; F109-R129 HydrophobicContact CD1-CG 4.28Å; F109-R129 HydrophobicContact CE1-CG 3.99Å; F109-R129 HydrophobicContact CE2-CB 4.42Å; F109-R129 HydrophobicContact CE2-CG 4.23Å; F109-R129 HydrophobicContact CZ-CG 3.95Å; F109-M130 HydrophobicContact CE1-CE 4.15Å; F109-M130 HydrophobicContact CE1-SD 4.47Å; F109-M130 HydrophobicContact CZ-CE 4.11Å; F109-M130 HydrophobicContact CZ-SD 3.88Å; F109-L133 HydrophobicContact CE2-CD2 4.05Å; F109-L133 HydrophobicContact CZ-CD2 4.31Å; F109-Y295 HydrophobicContact CB-CD2 4Å; F109-Y295 HydrophobicContact CB-CE2 3.84Å; F109-I302 HydrophobicContact CD2-CD1 4.48Å; F109-I302 HydrophobicContact CE2-CD1 4.43Å
110A82.3Confident73.4Confident1 Ų156.4 Ų56.41%0.00830%0.298CS..THydrogen-bonded Turntrans-93.7-14.2178.900000113.9R54 W58 F107 L108 Y295R54-A110 PolarHBondContact NE-O 2.95Å; R54-A110 VanDerWaalsContact NE-O 3.12Å; R54-A110 PolarHBondContact NH2-O 3.39Å; W58-A110 HydrophobicContact CZ2-CB 4.12Å; F107-A110 WeakPolarHBondContact O-CA 3.39Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 3.18Å; L108-A110 PolarHBondContact O-N 3.22Å; L108-A110 VanDerWaalsContact O-N 3.11Å; A110-Y295 HydrophobicContact CB-CE1 4.46Å; A110-Y295 HydrophobicContact CB-CE2 3.7Å; A110-Y295 WeakPolarHBondContact CB-OH 3.44Å
111M73.9Confident71.9Confident64 Ų6458.3 Ų58.332%0.31531%0.309SS..THydrogen-bonded Turntrans-92.6-10-168.5-74.9-57.1-54.600114.5W58 L108 E113 R114 L125W58-M111 HydrophobicContact CH2-SD 3.9Å; W58-M111 HydrophobicContact CZ2-SD 3.75Å; L108-M111 PolarHBondContact O-N 2.83Å; L108-M111 VanDerWaalsContact O-N 3.15Å; M111-E113 PolarHBondContact O-N 3.24Å; M111-R114 HydrophobicContact CE-CB 4.43Å; M111-R114 PolarHBondContact O-N 2.99Å; M111-L125 HydrophobicContact CB-CD1 4.12Å; M111-L125 HydrophobicContact CB-CD2 4.42Å
112D60.8Low70.5Confident77 Ų7758.2 Ų58.241%0.41231%0.311SS..THydrogen-bonded Turntrans-47.4-27.9-177.9-11215.3000114.9R129D112-R129 IonicContact OD1-CZ 2.92Å; D112-R129 IonicContact OD1-NH1 3.88Å; D112-R129 PolarHBondContact OD1-NH1 3.47Å; D112-R129 IonicContact OD2-CZ 2.7Å; D112-R129 IonicContact OD2-NH1 3.75Å; D112-R129 PolarHBondContact OD2-NH1 2.88Å; D112-R129 IonicContact OD2-NH2 3.41Å; D112-R129 PolarHBondContact OD2-NH2 3.46Å
113E53Low69.4Low56 Ų5659.9 Ų59.926%0.26232%0.32SS..THydrogen-bonded Turntrans-91.3-5.8-170-54.2-169.914100115.5S48 L49 R54 M111S48-E113 VanDerWaalsContact CA-OE1 3.29Å; S48-E113 WeakPolarHBondContact CA-OE1 3.34Å; L49-E113 VanDerWaalsContact CB-OE2 3.26Å; L49-E113 WeakPolarHBondContact CB-OE2 3.22Å; L49-E113 PolarHBondContact N-OE1 2.88Å; L49-E113 PolarHBondContact N-OE2 3.04Å; R54-E113 IonicContact CZ-OE2 3.39Å; R54-E113 IonicContact NH1-OE2 3.13Å; R54-E113 PolarHBondContact NH1-OE2 2.78Å; R54-E113 VanDerWaalsContact NH1-OE2 3.13Å; R54-E113 IonicContact NH2-OE2 2.7Å; R54-E113 PolarHBondContact NH2-OE2 3.2Å; M111-E113 PolarHBondContact O-N 3.24Å
114R45Very low68.3Low174 Ų17463.8 Ų63.866%0.65734%0.343SS*.  trans-117.3-0.2-170.7-72.4-172173.7-172.6-3.3115M111 H116M111-R114 HydrophobicContact CE-CB 4.43Å; M111-R114 PolarHBondContact O-N 2.99Å; R114-H116 PolarHBondContact O-N 3.19Å
115A44.9Very low67.6Low33 Ų3362.7 Ų62.727%0.27334%0.338SS..  trans-78.338.2-178.600000114A117A115-A117 PolarHBondContact O-N 3.49Å
116H44.2Very low66.7Low116 Ų11663.7 Ų63.754%0.53734%0.343SS..THydrogen-bonded Turntrans-81.380.4179.8-76.8-58.1000112.1R46 R114 D220R46-H116 VanDerWaalsContact CZ-NE2 3.33Å; R46-H116 PolarHBondContact NH1-CE1 3.47Å; R46-H116 PolarHBondContact NH1-NE2 3.44Å; R46-H116 PolarHBondContact NH2-CE1 2.96Å; R114-H116 PolarHBondContact O-N 3.19Å; H116-D220 IonicContact CE1-OD2 3.16Å
117A43.3Very low66.3Low99 Ų9965.9 Ų65.982%0.81835%0.353SS*.THydrogen-bonded Turntrans-155.1-38.8162.200000112.4A115A115-A117 PolarHBondContact O-N 3.49Å
118Q52.7Low66Low127 Ų12765.6 Ų65.659%0.59336%0.359SS*.  trans-155.9121.5-166.4-158157.9-2.100112.4E120 V121Q118-E120 VanDerWaalsContact C-N 3.28Å; Q118-E120 PolarHBondContact O-N 2.74Å; Q118-V121 HydrophobicContact CB-CG2 4.16Å; Q118-V121 PolarHBondContact O-N 2.86Å
119A56.7Low66Low62 Ų6265.1 Ų65.151%0.51236%0.355SS..Hα-helixtrans-61.6-29.9-171.700000114.5V121 S122 I123A119-V121 VanDerWaalsContact C-N 3.26Å; A119-V121 PolarHBondContact O-N 3.43Å; A119-S122 PolarHBondContact O-N 3.32Å; A119-S122 PolarHBondContact O-OG 2.92Å; A119-I123 WeakPolarHBondContact O-CG1 3.38Å; A119-I123 PolarHBondContact O-N 3.09Å
120E60.1Low66.1Low128 Ų12865.2 Ų65.260%0.59836%0.356SS*.Hα-helixtrans-61.6-33.4175.4-57.6-55.4142.900112.7Q118 T124Q118-E120 VanDerWaalsContact C-N 3.28Å; Q118-E120 PolarHBondContact O-N 2.74Å; E120-T124 WeakPolarHBondContact O-CG2 3.4Å; E120-T124 PolarHBondContact O-N 3.03Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 2.88Å
121V63.9Low66.6Low77 Ų7768.2 Ų68.247%0.46737%0.367SS..Hα-helixtrans-75.6-32.8-176.8-178.10000111.2Q118 A119 T124 L125Q118-V121 HydrophobicContact CB-CG2 4.16Å; Q118-V121 PolarHBondContact O-N 2.86Å; A119-V121 VanDerWaalsContact C-N 3.26Å; A119-V121 PolarHBondContact O-N 3.43Å; V121-T124 WeakPolarHBondContact CA-OG1 3.45Å; V121-T124 PolarHBondContact O-OG1 3.19Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 PolarHBondContact O-N 3.41Å
122S66.6Low67.5Low31 Ų3167.7 Ų67.722%0.21736%0.364CS..Hα-helixtrans-71.2-40.8173.237.80000112.2A119 L125 L126A119-S122 PolarHBondContact O-N 3.32Å; A119-S122 PolarHBondContact O-OG 2.92Å; S122-L125 PolarHBondContact O-N 3.33Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.88Å
123I72.1Confident69Low40 Ų4066 Ų6621%0.20536%0.356CS..Hα-helixtrans-61.6-48.2177.4-64.7165.2000110.9A119 L125 L126 Q127 C197A119-I123 WeakPolarHBondContact O-CG1 3.38Å; A119-I123 PolarHBondContact O-N 3.09Å; I123-L125 PolarHBondContact O-N 3.1Å; I123-L126 PolarHBondContact O-N 3.43Å; I123-Q127 PolarHBondContact O-N 3.23Å; I123-C197 HydrophobicContact CG1-CB 4.5Å; I123-C197 WeakPolarHBondContact CG1-SG 3.24Å
124T74.5Confident70.9Confident82 Ų8264 Ų6450%0.50335%0.347SS..Hα-helixtrans-65.2-37.2-179.647.80000112.9E120 V121 A128E120-T124 WeakPolarHBondContact O-CG2 3.4Å; E120-T124 PolarHBondContact O-N 3.03Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 2.88Å; V121-T124 WeakPolarHBondContact CA-OG1 3.45Å; V121-T124 PolarHBondContact O-OG1 3.19Å; T124-A128 VanDerWaalsContact O-CB 3.27Å; T124-A128 WeakPolarHBondContact O-CB 3.3Å; T124-A128 PolarHBondContact O-N 3.31Å
125L78.3Confident73.3Confident37 Ų3757 Ų5719%0.19432%0.324CS..Hα-helixtrans-67.4-42.9174.2-169.8155.3000112.2L108 M111 V121 S122 I123 Q127 A128 R129L108-L125 HydrophobicContact CB-CD2 4.5Å; L108-L125 HydrophobicContact CD2-CG 4.32Å; M111-L125 HydrophobicContact CB-CD1 4.12Å; M111-L125 HydrophobicContact CB-CD2 4.42Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 PolarHBondContact O-N 3.41Å; S122-L125 PolarHBondContact O-N 3.33Å; I123-L125 PolarHBondContact O-N 3.1Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.73Å; L125-A128 PolarHBondContact O-N 3.19Å; L125-R129 PolarHBondContact O-N 2.93Å
126L75.1Confident75.7Confident20 Ų2055.4 Ų55.411%0.10531%0.311CS..Hα-helixtrans-61.4-39.9176171.957000112.2S122 I123 R129 V195 C222S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.88Å; I123-L126 PolarHBondContact O-N 3.43Å; L126-R129 VanDerWaalsContact CD1-CZ 3.45Å; L126-R129 WeakPolarHBondContact O-CG 3.33Å; L126-V195 HydrophobicContact CD2-CG1 3.67Å; L126-V195 HydrophobicContact CG-CG1 4.44Å; L126-C222 HydrophobicContact CD2-CB 3.22Å
127Q82.4Confident78.1Confident47 Ų4751.2 Ų51.222%0.2229%0.294CS..Hα-helixtrans-67.1-49.4171.9-175.6176.9-6.900111I123 L125 R129 M130 W131 N190I123-Q127 PolarHBondContact O-N 3.23Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.73Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.37Å; Q127-M130 PolarHBondContact O-N 3.23Å; Q127-W131 HydrophobicContact CG-CG 4.46Å; Q127-W131 PolarHBondContact O-N 3.02Å; Q127-W131 VanDerWaalsContact O-N 3.14Å; Q127-N190 PolarHBondContact NE2-ND2 3.01Å; Q127-N190 PolarHBondContact NE2-OD1 3.2Å; Q127-N190 PolarHBondContact OE1-OD1 3.19Å
128A85.5Confident80.5Confident38 Ų3846.5 Ų46.531%0.31426%0.256SS..Hα-helixtrans-56.7-40.1-176.600000113.2L108 T124 L125 M130 W131 M132L108-A128 HydrophobicContact CD1-CB 4.36Å; T124-A128 VanDerWaalsContact O-CB 3.27Å; T124-A128 WeakPolarHBondContact O-CB 3.3Å; T124-A128 PolarHBondContact O-N 3.31Å; L125-A128 PolarHBondContact O-N 3.19Å; A128-M130 PolarHBondContact O-N 2.97Å; A128-W131 PolarHBondContact O-N 3.32Å; A128-M132 VanDerWaalsContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.44Å; A128-M132 PolarHBondContact O-N 3.39Å
129R87.3Confident82.5Confident28 Ų2841.1 Ų41.111%0.10623%0.231CC..Hα-helixtrans-62.1-41-179.582.1-165.3179.9-179.70.1113.1L108 F109 D112 L125 L126 Q127 L133L108-R129 HydrophobicContact CB-CB 3.6Å; L108-R129 HydrophobicContact CD1-CB 4.25Å; F109-R129 HydrophobicContact CD1-CG 4.28Å; F109-R129 HydrophobicContact CE1-CG 3.99Å; F109-R129 HydrophobicContact CE2-CB 4.42Å; F109-R129 HydrophobicContact CE2-CG 4.23Å; F109-R129 HydrophobicContact CZ-CG 3.95Å; D112-R129 IonicContact OD1-CZ 2.92Å; D112-R129 IonicContact OD1-NH1 3.88Å; D112-R129 PolarHBondContact OD1-NH1 3.47Å; D112-R129 IonicContact OD2-CZ 2.7Å; D112-R129 IonicContact OD2-NH1 3.75Å; D112-R129 PolarHBondContact OD2-NH1 2.88Å; D112-R129 IonicContact OD2-NH2 3.41Å; D112-R129 PolarHBondContact OD2-NH2 3.46Å; L125-R129 PolarHBondContact O-N 2.93Å; L126-R129 VanDerWaalsContact CD1-CZ 3.45Å; L126-R129 WeakPolarHBondContact O-CG 3.33Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.37Å; R129-L133 WeakPolarHBondContact O-CB 3.36Å; R129-L133 PolarHBondContact O-N 3.35Å; R129-L133 VanDerWaalsContact O-N 3.11Å
130M86Confident84.3Confident32 Ų3238.4 Ų38.416%0.15821%0.208CC..Hα-helixtrans-71.7-41.5179-70.6-59.9-168.300111.4F109 Q127 A128 L133 C134 L231F109-M130 HydrophobicContact CE1-CE 4.15Å; F109-M130 HydrophobicContact CE1-SD 4.47Å; F109-M130 HydrophobicContact CZ-CE 4.11Å; F109-M130 HydrophobicContact CZ-SD 3.88Å; Q127-M130 PolarHBondContact O-N 3.23Å; A128-M130 PolarHBondContact O-N 2.97Å; M130-L133 PolarHBondContact O-N 3.36Å; M130-C134 WeakPolarHBondContact O-CB 3.49Å; M130-C134 PolarHBondContact O-N 3.02Å; M130-C134 PolarHBondContact O-SG 3.34Å; M130-L231 HydrophobicContact CE-CD2 4.41Å
131W91.8Very high85.8Confident64 Ų6433.5 Ų33.524%0.24218%0.184CC..Hα-helixtrans-62.3-46.6176.3-79.356.7000111.9Q127 A128 L133 C134 V135 I183 L186 T187 N190Q127-W131 HydrophobicContact CG-CG 4.46Å; Q127-W131 PolarHBondContact O-N 3.02Å; Q127-W131 VanDerWaalsContact O-N 3.14Å; A128-W131 PolarHBondContact O-N 3.32Å; W131-L133 PolarHBondContact O-N 3.48Å; W131-C134 PolarHBondContact O-N 3.38Å; W131-V135 WeakPolarHBondContact O-CB 3.3Å; W131-V135 WeakPolarHBondContact O-CG2 3.42Å; W131-V135 PolarHBondContact O-N 2.96Å; W131-I183 HydrophobicContact CZ3-CG2 4.44Å; W131-L186 HydrophobicContact CD2-CB 3.96Å; W131-L186 HydrophobicContact CD2-CD1 4.09Å; W131-L186 HydrophobicContact CE3-CB 4.31Å; W131-L186 HydrophobicContact CE3-CD1 4.3Å; W131-L186 HydrophobicContact CG-CD1 4.16Å; W131-L186 HydrophobicContact CH2-CB 4.12Å; W131-L186 VanDerWaalsContact CZ2-C 3.49Å; W131-L186 HydrophobicContact CZ2-CB 3.73Å; W131-L186 WeakPolarHBondContact CZ2-O 3.36Å; W131-L186 HydrophobicContact CZ3-CB 4.39Å; W131-T187 HydrophobicContact CH2-CG2 3.68Å; W131-T187 HydrophobicContact CZ2-CG2 4.47Å; W131-N190 HydrophobicContact CZ2-CB 4.48Å
132M92.6Very high87.1Confident53 Ų5329.9 Ų29.926%0.26116%0.163SC..Hα-helixtrans-64.1-38.1178.6-68-76.6-83.200112.2L101 I104 L108 A128 G136L101-M132 HydrophobicContact CD2-CE 3.45Å; L101-M132 VanDerWaalsContact CD2-CE 3.45Å; L101-M132 HydrophobicContact CD2-SD 3.86Å; I104-M132 HydrophobicContact CB-CE 4.11Å; I104-M132 HydrophobicContact CD1-CE 4.43Å; I104-M132 HydrophobicContact CG2-CE 3.59Å; L108-M132 HydrophobicContact CD1-CG 4.45Å; A128-M132 VanDerWaalsContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.44Å; A128-M132 PolarHBondContact O-N 3.39Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.98Å
133L92.5Very high88.3Confident43 Ų4328.4 Ų28.423%0.22515%0.152CC..Hα-helixtrans-66.8-43.3174.2-179.660.2000112F109 R129 M130 W131 S137 I302F109-L133 HydrophobicContact CE2-CD2 4.05Å; F109-L133 HydrophobicContact CZ-CD2 4.31Å; R129-L133 WeakPolarHBondContact O-CB 3.36Å; R129-L133 PolarHBondContact O-N 3.35Å; R129-L133 VanDerWaalsContact O-N 3.11Å; M130-L133 PolarHBondContact O-N 3.36Å; W131-L133 PolarHBondContact O-N 3.48Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 2.64Å; L133-S137 PolarHBondContact O-OG 3.4Å; L133-I302 HydrophobicContact CD1-CD1 3.85Å; L133-I302 HydrophobicContact CD1-CG1 3.96Å; L133-I302 HydrophobicContact CD2-CD1 4.34Å
134C93.8Very high89.1Confident13 Ų1326.9 Ų26.99%0.08815%0.145CC..Hα-helixtrans-66.5-57.6179-68.80000111.4M130 W131 G136 S137 T138 L186 K238M130-C134 WeakPolarHBondContact O-CB 3.49Å; M130-C134 PolarHBondContact O-N 3.02Å; M130-C134 PolarHBondContact O-SG 3.34Å; W131-C134 PolarHBondContact O-N 3.38Å; C134-G136 VanDerWaalsContact C-N 3.33Å; C134-G136 PolarHBondContact O-N 2.64Å; C134-S137 PolarHBondContact O-N 3.36Å; C134-S137 PolarHBondContact O-OG 2.91Å; C134-T138 PolarHBondContact O-N 3.32Å; C134-L186 HydrophobicContact CB-CD1 3.89Å; C134-L186 HydrophobicContact CB-CD2 4.44Å; C134-K238 PolarHBondContact O-NZ 3.14Å
135V95.1Very high89.7Confident27 Ų2723.5 Ų23.516%0.16412%0.124CC..Hα-helixtrans-63.2-40.7-179.4175.80000111W131 T138 L139 I179 I183 L186W131-V135 WeakPolarHBondContact O-CB 3.3Å; W131-V135 WeakPolarHBondContact O-CG2 3.42Å; W131-V135 PolarHBondContact O-N 2.96Å; V135-T138 PolarHBondContact O-N 3.25Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.49Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.79Å; V135-I179 HydrophobicContact CG1-CG2 4.13Å; V135-I183 HydrophobicContact CG2-CG1 4.3Å; V135-L186 HydrophobicContact CG2-CD1 4.31Å
136G95.7Very high90.1Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-61-45.7176.200000113.2T102 M132 C134 T138 L139 V140T102-G136 VanDerWaalsContact CG2-C 3.44Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.98Å; C134-G136 VanDerWaalsContact C-N 3.33Å; C134-G136 PolarHBondContact O-N 2.64Å; G136-T138 PolarHBondContact O-N 3.25Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-V140 WeakPolarHBondContact O-CG2 3.32Å; G136-V140 PolarHBondContact O-N 2.68Å
137S93.6Very high90.6Very high27 Ų2721.9 Ų21.919%0.18912%0.116CC..Hα-helixtrans-64.6-37.2179.253.50000112.9L133 C134 V140 F141 K238L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 2.64Å; L133-S137 PolarHBondContact O-OG 3.4Å; C134-S137 PolarHBondContact O-N 3.36Å; C134-S137 PolarHBondContact O-OG 2.91Å; S137-V140 PolarHBondContact O-N 3.32Å; S137-F141 WeakPolarHBondContact O-CD2 3.47Å; S137-F141 PolarHBondContact O-N 3.24Å; S137-K238 PolarHBondContact OG-NZ 2.93Å
138T94.6Very high90.7Very high1 Ų119.7 Ų19.71%0.00611%0.106CC..Hα-helixtrans-78.8-25.6175.4-770000113C134 V135 G136 V140 G142 L178 I179 E182 K238 L241C134-T138 PolarHBondContact O-N 3.32Å; V135-T138 PolarHBondContact O-N 3.25Å; G136-T138 PolarHBondContact O-N 3.25Å; T138-V140 VanDerWaalsContact C-N 3.32Å; T138-G142 WeakPolarHBondContact O-CA 3.35Å; T138-G142 PolarHBondContact O-N 2.65Å; T138-L178 HydrophobicContact CG2-CB 4.12Å; T138-I179 HydrophobicContact CG2-CG1 4.05Å; T138-E182 WeakPolarHBondContact CB-OE1 3.29Å; T138-E182 WeakPolarHBondContact CB-OE2 3.43Å; T138-E182 VanDerWaalsContact OG1-CD 3.22Å; T138-E182 PolarHBondContact OG1-OE1 2.98Å; T138-E182 PolarHBondContact OG1-OE2 3.18Å; T138-K238 PolarHBondContact OG1-NZ 3.42Å; T138-L241 HydrophobicContact CG2-CD1 4.33Å
139L94.4Very high90.8Very high13 Ų1321 Ų217%0.06810%0.103CC..Hα-helixtrans-67-30.8164.3-81.6165.8000112.8L94 T95 L101 V135 G136 P143 I179L94-L139 HydrophobicContact CD1-CD2 3.39Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; L94-L139 HydrophobicContact CG-CD2 3.65Å; T95-L139 WeakPolarHBondContact CA-O 3.46Å; L101-L139 HydrophobicContact CD1-CD1 3.44Å; L101-L139 VanDerWaalsContact CD1-CD1 3.44Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.49Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.79Å; G136-L139 PolarHBondContact O-N 2.97Å; L139-P143 WeakPolarHBondContact O-CD 3.37Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; L139-I179 HydrophobicContact CD2-CD1 3.42Å; L139-I179 VanDerWaalsContact CD2-CD1 3.42Å; L139-I179 HydrophobicContact CG-CD1 3.69Å; L139-I179 HydrophobicContact CG-CG1 4.47Å
140V94.3Very high90.6Very high6 Ų622.6 Ų22.64%0.03611%0.109CC..Hα-helixtrans-69.6-57.2170.5171.50000110.6T95 G136 S137 T138 I144 T309T95-V140 HydrophobicContact CG2-CG1 4.33Å; T95-V140 PolarHBondContact OG1-O 3.18Å; G136-V140 WeakPolarHBondContact O-CG2 3.32Å; G136-V140 PolarHBondContact O-N 2.68Å; S137-V140 PolarHBondContact O-N 3.32Å; T138-V140 VanDerWaalsContact C-N 3.32Å; V140-I144 HydrophobicContact CG1-CD1 4.42Å; V140-I144 VanDerWaalsContact O-CD1 3.25Å; V140-I144 WeakPolarHBondContact O-CD1 3.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-T309 HydrophobicContact CG1-CG2 3.94Å
141F90.9Very high90.3Very high24 Ų2422.1 Ų22.111%0.10511%0.107CC..Hα-helixtrans-78.1-41.5-171.2-76.9-69.7000114.8S137 I144 L145 L241 L242 A269 V273S137-F141 WeakPolarHBondContact O-CD2 3.47Å; S137-F141 PolarHBondContact O-N 3.24Å; F141-I144 HydrophobicContact CD1-CD1 4.41Å; F141-I144 WeakPolarHBondContact O-CB 3.39Å; F141-I144 PolarHBondContact O-N 2.95Å; F141-L145 WeakPolarHBondContact O-CG 3.01Å; F141-L145 PolarHBondContact O-N 3.27Å; F141-L241 HydrophobicContact CB-CD2 3.84Å; F141-L242 HydrophobicContact CD1-CD2 4.26Å; F141-L242 HydrophobicContact CD2-CD2 4.3Å; F141-L242 HydrophobicContact CE1-CD2 4.12Å; F141-L242 HydrophobicContact CE2-CD2 4.16Å; F141-L242 HydrophobicContact CG-CD2 4.37Å; F141-L242 HydrophobicContact CZ-CD2 4.08Å; F141-A269 HydrophobicContact CE1-CB 4.14Å; F141-V273 HydrophobicContact CE2-CG2 4.08Å; F141-V273 HydrophobicContact CZ-CB 4.35Å; F141-V273 HydrophobicContact CZ-CG2 3.74Å
142G91.8Very high89.8Confident1 Ų122.4 Ų22.41%0.0111%0.108CC..Hα-helixtrans-51.9-48.7-176.100000114.5T138 I144 L145 G146 V175T138-G142 WeakPolarHBondContact O-CA 3.35Å; T138-G142 PolarHBondContact O-N 2.65Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 2.87Å; G142-L145 PolarHBondContact O-N 3.03Å; G142-G146 PolarHBondContact O-N 2.77Å; G142-V175 VanDerWaalsContact C-CG2 3.5Å
143P91.1Very high89.2Confident0 Ų023.6 Ų23.60%011%0.11CC..Hα-helixtrans-64.9-32.2177.4-20.632.1000113.4L91 L94 T95 L139 G146 K147 V175L91-P143 HydrophobicContact CB-CB 3.98Å; L91-P143 HydrophobicContact CD2-CB 4.03Å; L94-P143 HydrophobicContact CB-CG 3.98Å; L94-P143 HydrophobicContact CD2-CG 3.98Å; L94-P143 HydrophobicContact CG-CG 3.94Å; T95-P143 WeakPolarHBondContact OG1-CB 3.17Å; L139-P143 WeakPolarHBondContact O-CD 3.37Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; P143-G146 PolarHBondContact O-N 3.45Å; P143-K147 WeakPolarHBondContact O-CG 3.46Å; P143-K147 PolarHBondContact O-N 2.85Å; P143-V175 HydrophobicContact CG-CG1 4.17Å; P143-V175 HydrophobicContact CG-CG2 4.33Å
144I89.3Confident88.4Confident8 Ų825.6 Ų25.64%0.04112%0.124CC..Hα-helixtrans-69.2-48176.1-50.6167.2000109.6V140 F141 G142 G146 K147 T148 I266 T309 L313V140-I144 HydrophobicContact CG1-CD1 4.42Å; V140-I144 VanDerWaalsContact O-CD1 3.25Å; V140-I144 WeakPolarHBondContact O-CD1 3.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; F141-I144 HydrophobicContact CD1-CD1 4.41Å; F141-I144 WeakPolarHBondContact O-CB 3.39Å; F141-I144 PolarHBondContact O-N 2.95Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 2.87Å; I144-G146 PolarHBondContact O-N 3.25Å; I144-K147 PolarHBondContact O-N 3.17Å; I144-T148 PolarHBondContact O-N 2.67Å; I144-T148 PolarHBondContact O-OG1 3.25Å; I144-I266 HydrophobicContact CG2-CD1 4.27Å; I144-I266 HydrophobicContact CG2-CG1 3.61Å; I144-T309 HydrophobicContact CD1-CG2 4.04Å; I144-L313 HydrophobicContact CD1-CD1 3.75Å; I144-L313 HydrophobicContact CG1-CD1 4.11Å; I144-L313 HydrophobicContact CG1-CD2 4.4Å
145L87.5Confident87.4Confident12 Ų1227.4 Ų27.46%0.06313%0.13CC..Hα-helixtrans-55.1-43.5172.9-64.3178.4000111F141 G142 T148 W149 L241F141-L145 WeakPolarHBondContact O-CG 3.01Å; F141-L145 PolarHBondContact O-N 3.27Å; G142-L145 PolarHBondContact O-N 3.03Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-W149 WeakPolarHBondContact O-CB 3.45Å; L145-W149 PolarHBondContact O-N 3.4Å; L145-L241 HydrophobicContact CD1-CD1 4.43Å; L145-L241 HydrophobicContact CD1-CD2 3.67Å; L145-L241 HydrophobicContact CD1-CG 3.74Å
146G87.8Confident86.2Confident7 Ų730 Ų307%0.07215%0.146CC..Hα-helixtrans-56.1-51.2174.700000113.1G142 P143 I144 T148 W149 R150 L171G142-G146 PolarHBondContact O-N 2.77Å; P143-G146 PolarHBondContact O-N 3.45Å; I144-G146 PolarHBondContact O-N 3.25Å; G146-T148 VanDerWaalsContact C-N 3.28Å; G146-T148 PolarHBondContact O-N 3.13Å; G146-W149 PolarHBondContact O-N 3.44Å; G146-R150 PolarHBondContact O-N 3.44Å; G146-L171 WeakPolarHBondContact O-CD1 3.42Å; G146-L171 WeakPolarHBondContact O-CD2 3.44Å
147K84.8Confident84.6Confident15 Ų1535.4 Ų35.47%0.06517%0.171CC..Hα-helixtrans-57.9-42.2176.9-67.6177.8-164.1-166.60111.9S87 L91 N92 P143 I144 R150 L151S87-K147 WeakPolarHBondContact O-CE 3.41Å; S87-K147 PolarHBondContact O-NZ 2.89Å; L91-K147 HydrophobicContact CD1-CG 3.89Å; N92-K147 PolarHBondContact OD1-NZ 3.35Å; P143-K147 WeakPolarHBondContact O-CG 3.46Å; P143-K147 PolarHBondContact O-N 2.85Å; I144-K147 PolarHBondContact O-N 3.17Å; K147-R150 WeakPolarHBondContact O-CB 3.4Å; K147-R150 PolarHBondContact O-N 3.19Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 PolarHBondContact O-N 2.8Å
148T85.3Confident82.7Confident2 Ų243.2 Ų43.21%0.01220%0.197CC..Hα-helixtrans-64.1-43.4177.9-38.40000111.8I144 L145 G146 L151 Y152 L248 T252 I266I144-T148 PolarHBondContact O-N 2.67Å; I144-T148 PolarHBondContact O-OG1 3.25Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.94Å; G146-T148 VanDerWaalsContact C-N 3.28Å; G146-T148 PolarHBondContact O-N 3.13Å; T148-L151 WeakPolarHBondContact O-CB 3.42Å; T148-L151 PolarHBondContact O-N 3.45Å; T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.02Å; T148-L248 HydrophobicContact CG2-CB 3.76Å; T148-T252 HydrophobicContact CG2-CG2 4.07Å; T148-I266 HydrophobicContact CG2-CD1 3.72Å; T148-I266 WeakPolarHBondContact OG1-CD1 3.25Å
149W85.8Confident80.7Confident65 Ų6549 Ų4925%0.24623%0.232CC..Hα-helixtrans-65.5-41.4176.6-177.792.3000111.9L145 G146 L151 Y152 R153 L171 L248L145-W149 WeakPolarHBondContact O-CB 3.45Å; L145-W149 PolarHBondContact O-N 3.4Å; G146-W149 PolarHBondContact O-N 3.44Å; W149-L151 VanDerWaalsContact C-N 3.31Å; W149-L151 PolarHBondContact O-N 2.76Å; W149-Y152 PolarHBondContact O-N 3.16Å; W149-R153 HydrophobicContact CD2-CG 3.9Å; W149-R153 HydrophobicContact CE3-CG 4Å; W149-R153 HydrophobicContact CH2-CG 4.11Å; W149-R153 HydrophobicContact CZ2-CG 3.98Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.27Å; W149-R153 HydrophobicContact CZ3-CG 4.1Å; W149-R153 WeakPolarHBondContact O-CB 3.36Å; W149-R153 WeakPolarHBondContact O-CG 3.34Å; W149-R153 PolarHBondContact O-N 2.92Å; W149-L171 HydrophobicContact CE3-CD1 4.09Å; W149-L248 HydrophobicContact CB-CD1 4.05Å
150R84.9Confident79Confident61 Ų6153.7 Ų53.723%0.2326%0.263CS..Hα-helixtrans-57.8-45.2171.3-175.2-168.4-166.4153.818.9110.8S88 G146 K147 R153 V154 I166 D168 L171S88-R150 PolarHBondContact OG-NH1 3.33Å; S88-R150 VanDerWaalsContact OG-NH1 3.08Å; G146-R150 PolarHBondContact O-N 3.44Å; K147-R150 WeakPolarHBondContact O-CB 3.4Å; K147-R150 PolarHBondContact O-N 3.19Å; R150-R153 PolarHBondContact O-N 3.02Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 VanDerWaalsContact O-CG2 3.27Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.23Å; R150-I166 PolarHBondContact NH2-O 3.27Å; R150-D168 IonicContact CZ-OD1 2.68Å; R150-D168 IonicContact NH1-OD1 2.71Å; R150-D168 PolarHBondContact NH1-OD1 3.45Å; R150-D168 IonicContact NH2-OD1 2.64Å; R150-D168 PolarHBondContact NH2-OD1 3.09Å; R150-L171 HydrophobicContact CB-CD2 3.86Å; R150-L171 HydrophobicContact CG-CD2 4.38Å
151L79.9Confident76.7Confident23 Ų2360.8 Ų60.812%0.1230%0.3CS..Hα-helixtrans-64.6-47.9-179.3-168.862.7000111.8K147 T148 W149 V154 F155 T252 V260K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 PolarHBondContact O-N 2.8Å; T148-L151 WeakPolarHBondContact O-CB 3.42Å; T148-L151 PolarHBondContact O-N 3.45Å; W149-L151 VanDerWaalsContact C-N 3.31Å; W149-L151 PolarHBondContact O-N 2.76Å; L151-V154 PolarHBondContact O-N 2.88Å; L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.26Å; L151-F155 HydrophobicContact CD1-CZ 3.79Å; L151-F155 HydrophobicContact CD2-CE2 4.25Å; L151-F155 HydrophobicContact CG-CD2 3.9Å; L151-F155 HydrophobicContact CG-CE2 3.55Å; L151-F155 WeakPolarHBondContact O-CD2 2.99Å; L151-F155 PolarHBondContact O-N 3.06Å; L151-T252 HydrophobicContact CB-CG2 4.34Å; L151-T252 HydrophobicContact CD2-CG2 4.21Å; L151-T252 HydrophobicContact CG-CG2 4.3Å; L151-V260 HydrophobicContact CD1-CB 4.48Å; L151-V260 HydrophobicContact CD1-CG1 3.49Å; L151-V260 VanDerWaalsContact CD1-CG1 3.49Å; L151-V260 WeakPolarHBondContact CD2-O 3.26Å
152Y80.8Confident74.8Confident69 Ų6968.5 Ų68.527%0.27133%0.334SS..Hα-helixtrans-54.8-53171.8168.1-107.4000111.5T148 W149 V154 F155 T156 L248 L251T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.02Å; W149-Y152 PolarHBondContact O-N 3.16Å; Y152-V154 VanDerWaalsContact C-N 3.32Å; Y152-V154 PolarHBondContact O-N 2.99Å; Y152-F155 PolarHBondContact O-N 3.4Å; Y152-T156 HydrophobicContact CE2-CG2 4.5Å; Y152-T156 VanDerWaalsContact CE2-OG1 3.24Å; Y152-T156 WeakPolarHBondContact CE2-OG1 3.44Å; Y152-T156 WeakPolarHBondContact O-CB 3.44Å; Y152-T156 PolarHBondContact O-N 3.27Å; Y152-T156 PolarHBondContact O-OG1 3.24Å; Y152-L248 HydrophobicContact CD1-CD2 4.48Å; Y152-L251 HydrophobicContact CD2-CB 3.99Å; Y152-L251 HydrophobicContact CD2-CD1 4.06Å; Y152-L251 HydrophobicContact CE2-CB 4.28Å; Y152-L251 HydrophobicContact CE2-CD1 3.78Å; Y152-L251 HydrophobicContact CE2-CD2 4.47Å; Y152-L251 HydrophobicContact CE2-CG 4.42Å
153R80.1Confident72.9Confident79 Ų7980.2 Ų80.230%0.29838%0.378SS..Hα-helixtrans-54.9-45.1177.5-75.6-71.2-58.9-95.7-0112.3W149 R150 Q157 I166W149-R153 HydrophobicContact CD2-CG 3.9Å; W149-R153 HydrophobicContact CE3-CG 4Å; W149-R153 HydrophobicContact CH2-CG 4.11Å; W149-R153 HydrophobicContact CZ2-CG 3.98Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.27Å; W149-R153 HydrophobicContact CZ3-CG 4.1Å; W149-R153 WeakPolarHBondContact O-CB 3.36Å; W149-R153 WeakPolarHBondContact O-CG 3.34Å; W149-R153 PolarHBondContact O-N 2.92Å; R150-R153 PolarHBondContact O-N 3.02Å; R153-Q157 VanDerWaalsContact CZ-OE1 3.24Å; R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 WeakPolarHBondContact O-CG 3.47Å; R153-Q157 PolarHBondContact O-N 3.16Å; R153-I166 HydrophobicContact CB-CD1 4.27Å
154V75.7Confident71.1Confident84 Ų8485.3 Ų85.351%0.50941%0.409SS..Hα-helixtrans-67-36.7-179.6166.80000112.5R150 L151 Y152R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 VanDerWaalsContact O-CG2 3.27Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.23Å; L151-V154 PolarHBondContact O-N 2.88Å; Y152-V154 VanDerWaalsContact C-N 3.32Å; Y152-V154 PolarHBondContact O-N 2.99Å
155F71.3Confident69.5Low51 Ų5192 Ų9222%0.22444%0.443CS..Hα-helixtrans-82.2-34.6178.6-68.6-45.7000114L151 Y152 V255L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.26Å; L151-F155 HydrophobicContact CD1-CZ 3.79Å; L151-F155 HydrophobicContact CD2-CE2 4.25Å; L151-F155 HydrophobicContact CG-CD2 3.9Å; L151-F155 HydrophobicContact CG-CE2 3.55Å; L151-F155 WeakPolarHBondContact O-CD2 2.99Å; L151-F155 PolarHBondContact O-N 3.06Å; Y152-F155 PolarHBondContact O-N 3.4Å; F155-V255 HydrophobicContact CD1-CG1 4.42Å; F155-V255 HydrophobicContact CD2-CB 4.13Å; F155-V255 HydrophobicContact CD2-CG1 3.97Å; F155-V255 HydrophobicContact CD2-CG2 3.81Å; F155-V255 HydrophobicContact CE1-CG1 4Å; F155-V255 HydrophobicContact CE2-CB 3.85Å; F155-V255 HydrophobicContact CE2-CG1 3.46Å; F155-V255 VanDerWaalsContact CE2-CG1 3.46Å; F155-V255 HydrophobicContact CE2-CG2 4.08Å; F155-V255 HydrophobicContact CG-CG1 4.42Å; F155-V255 HydrophobicContact CG-CG2 4.31Å; F155-V255 HydrophobicContact CZ-CB 4.39Å; F155-V255 HydrophobicContact CZ-CG1 3.5Å
156T69.8Low68.2Low81 Ų8192.4 Ų92.450%0.49745%0.445SS..Hα-helixtrans-77.1-33.5178.5-60.50000112.4Y152 R158Y152-T156 HydrophobicContact CE2-CG2 4.5Å; Y152-T156 VanDerWaalsContact CE2-OG1 3.24Å; Y152-T156 WeakPolarHBondContact CE2-OG1 3.44Å; Y152-T156 WeakPolarHBondContact O-CB 3.44Å; Y152-T156 PolarHBondContact O-N 3.27Å; Y152-T156 PolarHBondContact O-OG1 3.24Å; T156-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact O-N 3.1Å
157Q63.1Low67.5Low114 Ų114100 Ų10053%0.53347%0.472SS..  trans-86.642.3179.6-59.1-167.3-66.500113.6R153 V159R153-Q157 VanDerWaalsContact CZ-OE1 3.24Å; R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 WeakPolarHBondContact O-CG 3.47Å; R153-Q157 PolarHBondContact O-N 3.16Å; Q157-V159 PolarHBondContact O-N 3.04Å
158R54.3Low66.9Low192 Ų192101.4 Ų101.473%0.72548%0.48SS*.  trans-78.851.4167.5-77.9-167174.1110-13.3112.2T156T156-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact O-N 3.1Å
159V51.8Low66.6Low123 Ų123106.6 Ų106.675%0.74551%0.506SS*.  trans-119.1127.9169.3-176.10000107.1Q157Q157-V159 PolarHBondContact O-N 3.04Å
160P58.9Low66.5Low110 Ų110108.1 Ų108.171%0.71452%0.516SS*.SBendtrans-73.9133.2-171.329.4-34.7000112.2
161D45.8Very low66.5Low155 Ų155105.3 Ų105.383%0.82951%0.506SS*.SBend178.1-30.9119.8-101.50.2000111.4
162K51.4Low66.8Low187 Ų187106.5 Ų106.581%0.81351%0.512SS*.  trans-124.995.9176-66.7-177.2-177.8176.10110.3V164K162-V164 PolarHBondContact O-N 2.84Å
163R51.3Low67.2Low246 Ų246105 Ų10593%0.92852%0.517SS*.  trans-67.478.3165.8-64.2-170.3-167-143.97108.9I165R163-I165 PolarHBondContact O-N 3.18Å
164V52.7Low67.5Low108 Ų108105.7 Ų105.766%0.65553%0.525SS*.  trans-59.1110.2173.91780000107.6K162 I166K162-V164 PolarHBondContact O-N 2.84Å; V164-I166 VanDerWaalsContact C-N 3.32Å; V164-I166 PolarHBondContact O-N 3.11Å
165I56.6Low68.3Low147 Ų147101.8 Ų101.875%0.75450%0.501SS*.  trans-68.795.1176-58.9175.7000106.7R163 R167R163-I165 PolarHBondContact O-N 3.18Å; I165-R167 PolarHBondContact O-N 3.35Å
166I60.9Low69.3Low22 Ų22103.2 Ų103.211%0.11351%0.514CS..  trans-60.3103176.2-59.5176.1000107.1R150 R153 V164R150-I166 PolarHBondContact NH2-O 3.27Å; R153-I166 HydrophobicContact CB-CD1 4.27Å; V164-I166 VanDerWaalsContact C-N 3.32Å; V164-I166 PolarHBondContact O-N 3.11Å
167R71.3Confident70.4Confident165 Ų165104.3 Ų104.362%0.62352%0.516SS*.  trans-72.2136178-72-175-78.2151.5-6.6108.4I165 I169 Q170I165-R167 PolarHBondContact O-N 3.35Å; R167-I169 HydrophobicContact CB-CG2 3.87Å; R167-I169 PolarHBondContact O-N 2.89Å; R167-Q170 WeakPolarHBondContact O-CB 3.32Å; R167-Q170 PolarHBondContact O-N 3.07Å
168D72.2Confident71.8Confident45 Ų45101.7 Ų101.724%0.24151%0.506CS..Hα-helixtrans-54-26-179.6-63.30.2000112.8R150 Q170 L171 I172R150-D168 IonicContact CZ-OD1 2.68Å; R150-D168 IonicContact NH1-OD1 2.71Å; R150-D168 PolarHBondContact NH1-OD1 3.45Å; R150-D168 IonicContact NH2-OD1 2.64Å; R150-D168 PolarHBondContact NH2-OD1 3.09Å; D168-Q170 VanDerWaalsContact C-N 3.32Å; D168-Q170 PolarHBondContact O-N 3.44Å; D168-L171 WeakPolarHBondContact O-CA 3.46Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 2.9Å; D168-I172 WeakPolarHBondContact O-CG1 3.09Å; D168-I172 PolarHBondContact O-N 3.49Å
169I79.9Confident73.7Confident111 Ų11193.7 Ų93.757%0.56948%0.477SS*.Hα-helixtrans-61.4-33.2174.8-157.3167.2000113.7R167 L171 G173R167-I169 HydrophobicContact CB-CG2 3.87Å; R167-I169 PolarHBondContact O-N 2.89Å; I169-L171 PolarHBondContact O-N 3.38Å; I169-G173 PolarHBondContact O-N 3.44Å
170Q83.7Confident75.7Confident97 Ų9793 Ų9345%0.45347%0.468SS..Hα-helixtrans-65.8-34.6173.1-66.1179.6-49.300110.7R167 D168 G173 M174R167-Q170 WeakPolarHBondContact O-CB 3.32Å; R167-Q170 PolarHBondContact O-N 3.07Å; D168-Q170 VanDerWaalsContact C-N 3.32Å; D168-Q170 PolarHBondContact O-N 3.44Å; Q170-G173 PolarHBondContact O-N 2.86Å; Q170-M174 WeakPolarHBondContact O-CG 3.42Å; Q170-M174 PolarHBondContact O-N 2.84Å; Q170-M174 VanDerWaalsContact O-N 3.11Å
171L83.8Confident77.3Confident2 Ų291.4 Ų91.41%0.0145%0.454CS..Hα-helixtrans-79.9-36.5-176.3-155.249.3000111.9L91 G146 W149 R150 D168 I169 G173 M174 V175L91-L171 HydrophobicContact CD1-CB 4.43Å; L91-L171 HydrophobicContact CD1-CD2 3.68Å; L91-L171 HydrophobicContact CD1-CG 3.97Å; G146-L171 WeakPolarHBondContact O-CD1 3.42Å; G146-L171 WeakPolarHBondContact O-CD2 3.44Å; W149-L171 HydrophobicContact CE3-CD1 4.09Å; R150-L171 HydrophobicContact CB-CD2 3.86Å; R150-L171 HydrophobicContact CG-CD2 4.38Å; D168-L171 WeakPolarHBondContact O-CA 3.46Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 2.9Å; I169-L171 PolarHBondContact O-N 3.38Å; L171-G173 VanDerWaalsContact C-N 3.33Å; L171-M174 PolarHBondContact O-N 2.93Å; L171-V175 WeakPolarHBondContact O-CG2 3.34Å; L171-V175 PolarHBondContact O-N 2.72Å
172I87.5Confident79.6Confident48 Ų4884.4 Ų84.425%0.24642%0.416CS..Hα-helixtrans-61.7-42.9166.7-64.6165.1000109.8N90 L91 D168 M174 V175 V176N90-I172 HydrophobicContact CB-CD1 4.04Å; L91-I172 HydrophobicContact CD2-CG1 3.86Å; D168-I172 WeakPolarHBondContact O-CG1 3.09Å; D168-I172 PolarHBondContact O-N 3.49Å; I172-M174 VanDerWaalsContact C-N 3.35Å; I172-M174 PolarHBondContact O-N 3.27Å; I172-V175 PolarHBondContact O-N 2.89Å; I172-V176 HydrophobicContact CG2-CG2 4.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 3.43Å
173G89Confident81.6Confident37 Ų3778.5 Ų78.538%0.38139%0.393SS..Hα-helixtrans-56.8-42.4175.800000113.8I169 Q170 L171 V175 V176 L177I169-G173 PolarHBondContact O-N 3.44Å; Q170-G173 PolarHBondContact O-N 2.86Å; L171-G173 VanDerWaalsContact C-N 3.33Å; G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.31Å; G173-V176 PolarHBondContact O-N 3.47Å; G173-L177 WeakPolarHBondContact O-CB 3.21Å; G173-L177 PolarHBondContact O-N 3.49Å
174M87.1Confident83.7Confident95 Ų9571.7 Ų71.747%0.46837%0.374SS..Hα-helixtrans-62.3-36.7173.9-67.5-59.4-60.900112.7Q170 L171 I172 L178Q170-M174 WeakPolarHBondContact O-CG 3.42Å; Q170-M174 PolarHBondContact O-N 2.84Å; Q170-M174 VanDerWaalsContact O-N 3.11Å; L171-M174 PolarHBondContact O-N 2.93Å; I172-M174 VanDerWaalsContact C-N 3.35Å; I172-M174 PolarHBondContact O-N 3.27Å; M174-L178 WeakPolarHBondContact O-CG 3.34Å; M174-L178 PolarHBondContact O-N 3.49Å
175V92.1Very high85.6Confident1 Ų168.1 Ų68.11%0.00635%0.351CS..Hα-helixtrans-71.9-41.4176.7179.60000111.3L94 G142 P143 L171 I172 G173 L177 L178 I179L94-V175 HydrophobicContact CD2-CB 4.26Å; L94-V175 HydrophobicContact CD2-CG1 3.85Å; G142-V175 VanDerWaalsContact C-CG2 3.5Å; P143-V175 HydrophobicContact CG-CG1 4.17Å; P143-V175 HydrophobicContact CG-CG2 4.33Å; L171-V175 WeakPolarHBondContact O-CG2 3.34Å; L171-V175 PolarHBondContact O-N 2.72Å; I172-V175 PolarHBondContact O-N 2.89Å; G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.31Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-L178 PolarHBondContact O-N 3.12Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.16Å
176V92.1Very high87.2Confident82 Ų8261.2 Ų61.250%0.49732%0.316SS..Hα-helixtrans-61-39.1174.7172.50000111.1I172 G173 I179 L180I172-V176 HydrophobicContact CG2-CG2 4.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 3.43Å; G173-V176 PolarHBondContact O-N 3.47Å; V176-I179 PolarHBondContact O-N 2.97Å; V176-L180 WeakPolarHBondContact O-CB 3.37Å; V176-L180 PolarHBondContact O-N 3.47Å
177L92.7Very high88.7Confident103 Ų10362.4 Ų62.454%0.53932%0.324SS..Hα-helixtrans-64.1-40.3175.3-178.161.2000112.7G173 V175 L180 L181G173-L177 WeakPolarHBondContact O-CB 3.21Å; G173-L177 PolarHBondContact O-N 3.49Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-L181 PolarHBondContact O-N 3.35Å; L177-L181 VanDerWaalsContact O-N 3.1Å
178L91.8Very high89.6Confident59 Ų5957.2 Ų57.231%0.30931%0.311SS..Hα-helixtrans-63.6-41.1174-71.9170000111.9T138 M174 V175 L181 E182T138-L178 HydrophobicContact CG2-CB 4.12Å; M174-L178 WeakPolarHBondContact O-CG 3.34Å; M174-L178 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 3.12Å; L178-L181 PolarHBondContact O-N 2.95Å; L178-E182 PolarHBondContact O-N 2.96Å
179I93.9Very high90.5Very high24 Ų2456.2 Ų56.212%0.12330%0.303CS..Hα-helixtrans-67.8-40.2177.1-65.4161.7000110.9V135 T138 L139 V175 V176 L181 E182 I183V135-I179 HydrophobicContact CG1-CG2 4.13Å; T138-I179 HydrophobicContact CG2-CG1 4.05Å; L139-I179 HydrophobicContact CD2-CD1 3.42Å; L139-I179 VanDerWaalsContact CD2-CD1 3.42Å; L139-I179 HydrophobicContact CG-CD1 3.69Å; L139-I179 HydrophobicContact CG-CG1 4.47Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.16Å; V176-I179 PolarHBondContact O-N 2.97Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.36Å; I179-E182 PolarHBondContact O-N 3.18Å; I179-E182 VanDerWaalsContact O-N 3.17Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.36Å; I179-I183 PolarHBondContact O-N 3.48Å
180L94.6Very high90.8Very high108 Ų10853.6 Ų53.657%0.56529%0.291SS*.Hα-helixtrans-61.1-40.3176.8-177.264000111.8V176 L177 I183 L184V176-L180 WeakPolarHBondContact O-CB 3.37Å; V176-L180 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 2.97Å; L180-I183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CB 3.5Å; L180-L184 PolarHBondContact O-N 3.22Å
181L93.4Very high91Very high78 Ų7855.7 Ų55.741%0.40830%0.304SS..Hα-helixtrans-64.1-38.8174.4179.761000112.2L177 L178 I179 L184 I185L177-L181 PolarHBondContact O-N 3.35Å; L177-L181 VanDerWaalsContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 2.95Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.36Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-I185 HydrophobicContact CG-CD1 4.45Å; L181-I185 WeakPolarHBondContact O-CG1 3.36Å; L181-I185 PolarHBondContact O-N 3.45Å; L181-I185 VanDerWaalsContact O-N 3.13Å
182E94.1Very high91.1Very high7 Ų759.9 Ų59.93%0.03333%0.33CS..Hα-helixtrans-71.4-39.4175.5-71.6-172.2-173.700112.8T138 L178 I179 L184 I185 L186 K238T138-E182 WeakPolarHBondContact CB-OE1 3.29Å; T138-E182 WeakPolarHBondContact CB-OE2 3.43Å; T138-E182 VanDerWaalsContact OG1-CD 3.22Å; T138-E182 PolarHBondContact OG1-OE1 2.98Å; T138-E182 PolarHBondContact OG1-OE2 3.18Å; L178-E182 PolarHBondContact O-N 2.96Å; I179-E182 PolarHBondContact O-N 3.18Å; I179-E182 VanDerWaalsContact O-N 3.17Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.29Å; E182-I185 PolarHBondContact O-N 3.41Å; E182-L186 WeakPolarHBondContact O-CB 3.35Å; E182-L186 VanDerWaalsContact O-CG 3.25Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 2.98Å; E182-K238 WeakPolarHBondContact OE1-CE 3.41Å; E182-K238 IonicContact OE1-NZ 2.99Å; E182-K238 PolarHBondContact OE1-NZ 3.46Å; E182-K238 IonicContact OE2-NZ 3.89Å; E182-K238 PolarHBondContact OE2-NZ 2.89Å
183I93.4Very high90.9Very high63 Ų6358.3 Ų58.332%0.32332%0.322SS..Hα-helixtrans-59.8-42172.1-69.3170000109.7W131 V135 I179 L180 I185 L186 T187W131-I183 HydrophobicContact CZ3-CG2 4.44Å; V135-I183 HydrophobicContact CG2-CG1 4.3Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.36Å; I179-I183 PolarHBondContact O-N 3.48Å; L180-I183 PolarHBondContact O-N 3.42Å; I183-I185 PolarHBondContact O-N 2.99Å; I183-L186 PolarHBondContact O-N 3.46Å; I183-T187 HydrophobicContact CG2-CG2 4.23Å; I183-T187 WeakPolarHBondContact O-CG2 3.49Å; I183-T187 PolarHBondContact O-N 3.31Å; I183-T187 PolarHBondContact O-OG1 3.47Å
184L94.4Very high90.4Very high104 Ų10458.8 Ų58.855%0.54532%0.319SS..Hα-helixtrans-59.6-43.9176.1-178.263.5000112.3L180 L181 E182 T187 T188L180-L184 WeakPolarHBondContact O-CB 3.5Å; L180-L184 PolarHBondContact O-N 3.22Å; L181-L184 PolarHBondContact O-N 3.5Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.29Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-OG1 3.27Å; L184-T188 WeakPolarHBondContact O-CB 3.07Å; L184-T188 PolarHBondContact O-N 2.85Å; L184-T188 PolarHBondContact O-OG1 2.9Å
185I92.5Very high89.6Confident32 Ų3255.5 Ų55.516%0.16430%0.304CS..Hα-helixtrans-63.3-44.7176.3-67.1163.3000110.7L181 E182 I183 T188 W189 I233 I234 Q237L181-I185 HydrophobicContact CG-CD1 4.45Å; L181-I185 WeakPolarHBondContact O-CG1 3.36Å; L181-I185 PolarHBondContact O-N 3.45Å; L181-I185 VanDerWaalsContact O-N 3.13Å; E182-I185 PolarHBondContact O-N 3.41Å; I183-I185 PolarHBondContact O-N 2.99Å; I185-T188 PolarHBondContact O-N 3.01Å; I185-W189 PolarHBondContact O-N 3.21Å; I185-I233 HydrophobicContact CG2-CG2 4.44Å; I185-I234 HydrophobicContact CG2-CG1 4.4Å; I185-Q237 HydrophobicContact CD1-CG 4.1Å
186L91.4Very high88.3Confident3 Ų363.9 Ų63.92%0.01634%0.336CS..Hα-helixtrans-69.5-37180-68.3168.4000113W131 C134 V135 E182 I183 T188 W189 N190 I234W131-L186 HydrophobicContact CD2-CB 3.96Å; W131-L186 HydrophobicContact CD2-CD1 4.09Å; W131-L186 HydrophobicContact CE3-CB 4.31Å; W131-L186 HydrophobicContact CE3-CD1 4.3Å; W131-L186 HydrophobicContact CG-CD1 4.16Å; W131-L186 HydrophobicContact CH2-CB 4.12Å; W131-L186 VanDerWaalsContact CZ2-C 3.49Å; W131-L186 HydrophobicContact CZ2-CB 3.73Å; W131-L186 WeakPolarHBondContact CZ2-O 3.36Å; W131-L186 HydrophobicContact CZ3-CB 4.39Å; C134-L186 HydrophobicContact CB-CD1 3.89Å; C134-L186 HydrophobicContact CB-CD2 4.44Å; V135-L186 HydrophobicContact CG2-CD1 4.31Å; E182-L186 WeakPolarHBondContact O-CB 3.35Å; E182-L186 VanDerWaalsContact O-CG 3.25Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 3.46Å; L186-T188 VanDerWaalsContact C-N 3.34Å; L186-W189 HydrophobicContact CD2-CE3 4.31Å; L186-N190 PolarHBondContact O-N 2.99Å; L186-N190 VanDerWaalsContact O-N 3.17Å; L186-I234 HydrophobicContact CD2-CD1 4.12Å
187T91Very high86.9Confident47 Ų4762.2 Ų62.229%0.28833%0.327SS..Hα-helixtrans-65.1-40170.448.40000111.1W131 I183 L184 N190 L191W131-T187 HydrophobicContact CH2-CG2 3.68Å; W131-T187 HydrophobicContact CZ2-CG2 4.47Å; I183-T187 HydrophobicContact CG2-CG2 4.23Å; I183-T187 WeakPolarHBondContact O-CG2 3.49Å; I183-T187 PolarHBondContact O-N 3.31Å; I183-T187 PolarHBondContact O-OG1 3.47Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-OG1 3.27Å; T187-N190 PolarHBondContact O-N 3.32Å; T187-L191 WeakPolarHBondContact O-CB 3.45Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å
188T91.8Very high84.9Confident55 Ų5560.7 Ų60.734%0.33733%0.325SS..Hα-helixtrans-62.6-49.3179.4-53.40000110L184 I185 L186 N190 L191 T192 W230L184-T188 WeakPolarHBondContact O-CB 3.07Å; L184-T188 PolarHBondContact O-N 2.85Å; L184-T188 PolarHBondContact O-OG1 2.9Å; I185-T188 PolarHBondContact O-N 3.01Å; L186-T188 VanDerWaalsContact C-N 3.34Å; T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.15Å; T188-L191 PolarHBondContact O-N 3.07Å; T188-L191 VanDerWaalsContact O-N 3.13Å; T188-T192 HydrophobicContact CG2-CG2 4.16Å; T188-T192 PolarHBondContact O-N 3.45Å; T188-T192 PolarHBondContact O-OG1 2.89Å; T188-W230 HydrophobicContact CG2-CH2 3.88Å
189W89.8Confident82.8Confident24 Ų2463.8 Ų63.89%0.09134%0.338CS..Hα-helixtrans-50.9-52.7174-178.28.4000111.5I185 L186 L191 T192 D193 S224 W230 L231 I234I185-W189 PolarHBondContact O-N 3.21Å; L186-W189 HydrophobicContact CD2-CE3 4.31Å; W189-L191 VanDerWaalsContact C-N 3.28Å; W189-L191 PolarHBondContact O-N 2.96Å; W189-T192 PolarHBondContact O-N 3.2Å; W189-D193 CarbonylContact O-C 3.57Å; W189-D193 PolarHBondContact O-N 3.38Å; W189-S224 PolarHBondContact NE1-OG 3.28Å; W189-W230 HydrophobicContact CB-CD2 3.7Å; W189-W230 HydrophobicContact CB-CE3 3.63Å; W189-W230 HydrophobicContact CB-CG 4.22Å; W189-W230 HydrophobicContact CB-CH2 4.4Å; W189-W230 HydrophobicContact CB-CZ2 4.46Å; W189-W230 HydrophobicContact CB-CZ3 3.99Å; W189-W230 AromaticContact CD1-CD1 3.32Å; W189-W230 AromaticContact CD1-CD2 3.69Å; W189-W230 AromaticContact CD1-CE2 3.85Å; W189-W230 AromaticContact CD1-CG 3.4Å; W189-W230 VanDerWaalsContact CD1-CG 3.4Å; W189-W230 AromaticContact CD1-NE1 3.57Å; W189-W230 HydrophobicContact CD2-CB 3.72Å; W189-W230 HydrophobicContact CD2-CD2 4.28Å; W189-W230 AromaticContact CD2-CG 3.86Å; W189-W230 HydrophobicContact CD2-CG 3.86Å; W189-W230 AromaticContact CE2-CG 3.87Å; W189-W230 HydrophobicContact CE3-CB 4.21Å; W189-W230 HydrophobicContact CG-CB 4Å; W189-W230 AromaticContact CG-CD1 3.98Å; W189-W230 AromaticContact CG-CD2 3.61Å; W189-W230 HydrophobicContact CG-CD2 3.61Å; W189-W230 AromaticContact CG-CE3 4Å; W189-W230 HydrophobicContact CG-CE3 4Å; W189-W230 AromaticContact CG-CG 3.58Å; W189-W230 HydrophobicContact CG-CG 3.58Å; W189-W230 HydrophobicContact CZ2-CB 4.06Å; W189-W230 AromaticContact NE1-CD1 3.43Å; W189-W230 AromaticContact NE1-CG 3.59Å; W189-L231 HydrophobicContact CH2-CD2 4.43Å; W189-I234 HydrophobicContact CE3-CD1 3.8Å; W189-I234 HydrophobicContact CZ3-CD1 3.65Å
190N86.4Confident80.2Confident57 Ų5765 Ų6531%0.30535%0.348SS..Hα-helixtrans-65.4-27.3-177.4-166.855.7000114.3Q127 W131 L186 T187 T188Q127-N190 PolarHBondContact NE2-ND2 3.01Å; Q127-N190 PolarHBondContact NE2-OD1 3.2Å; Q127-N190 PolarHBondContact OE1-OD1 3.19Å; W131-N190 HydrophobicContact CZ2-CB 4.48Å; L186-N190 PolarHBondContact O-N 2.99Å; L186-N190 VanDerWaalsContact O-N 3.17Å; T187-N190 PolarHBondContact O-N 3.32Å; T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.15Å
191L87.6Confident77.8Confident140 Ų14064.1 Ų64.173%0.73335%0.347SS*.Hα-helixtrans-84.5-33.2178.6-70.8169.8000112.7T187 T188 W189T187-L191 WeakPolarHBondContact O-CB 3.45Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å; T188-L191 PolarHBondContact O-N 3.07Å; T188-L191 VanDerWaalsContact O-N 3.13Å; W189-L191 VanDerWaalsContact C-N 3.28Å; W189-L191 PolarHBondContact O-N 2.96Å
192T87.1Confident75Confident91 Ų9168.5 Ų68.556%0.55836%0.358SS*.Hα-helixtrans-93.6-33.8-176.857.80000114T188 W189 W230T188-T192 HydrophobicContact CG2-CG2 4.16Å; T188-T192 PolarHBondContact O-N 3.45Å; T188-T192 PolarHBondContact O-OG1 2.89Å; W189-T192 PolarHBondContact O-N 3.2Å; T192-W230 WeakPolarHBondContact OG1-CZ2 3.32Å
193D82.2Confident72.3Confident14 Ų1471.7 Ų71.78%0.07539%0.386CS..SBendtrans-139.566.6-175.8-17722.3000109.4W189 V195 S224 E225 Y226W189-D193 CarbonylContact O-C 3.57Å; W189-D193 PolarHBondContact O-N 3.38Å; D193-V195 PolarHBondContact O-N 3.26Å; D193-S224 VanDerWaalsContact CG-OG 3.24Å; D193-S224 WeakPolarHBondContact O-CB 3.25Å; D193-S224 WeakPolarHBondContact OD1-CB 3.32Å; D193-S224 WeakPolarHBondContact OD2-CB 3.46Å; D193-S224 PolarHBondContact OD2-OG 3.13Å; D193-E225 PolarHBondContact OD1-N 3.13Å; D193-E225 PolarHBondContact OD2-N 2.93Å; D193-Y226 WeakPolarHBondContact OD2-CA 3.4Å; D193-Y226 PolarHBondContact OD2-N 3.46Å
194P79.1Confident69.5Low47 Ų4771.9 Ų71.931%0.30539%0.39SS..  trans-63.9129.3-179.326.4-34.5000110.5R196P194-R196 PolarHBondContact O-N 3.02Å
195V69.8Low66.7Low27 Ų2770.3 Ų70.316%0.16439%0.392CS..  trans-61.3112-172.8-171.80000110.9L126 D193 C222L126-V195 HydrophobicContact CD2-CG1 3.67Å; L126-V195 HydrophobicContact CG-CG1 4.44Å; D193-V195 PolarHBondContact O-N 3.26Å; V195-C222 HydrophobicContact CG1-CB 4.23Å
196R65.5Low63.8Low177 Ų17775.3 Ų75.367%0.66841%0.412SS*.EExtended strand (participates in β ladder)trans-90.6133.3176.8-58-55.4-173.6161.21.5110P194 C222 S223P194-R196 PolarHBondContact O-N 3.02Å; R196-C222 CarbonylContact O-C 3.42Å; R196-C222 WeakPolarHBondContact O-CA 3.37Å; R196-S223 PolarHBondContact N-O 2.71Å; R196-S223 PolarHBondContact O-N 2.94Å
197C62.3Low61.1Low46 Ų4679.4 Ų79.431%0.31145%0.446SS..EExtended strand (participates in β ladder)trans-92.6108.1168.5-65.40000109.6I123 C222I123-C197 HydrophobicContact CG1-CB 4.5Å; I123-C197 WeakPolarHBondContact CG1-SG 3.24Å; C197-C222 HydrophobicContact CB-CB 4.1Å; C197-C222 WeakPolarHBondContact CB-SG 3.18Å; C197-C222 WeakPolarHBondContact SG-CB 3.34Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.94Å
198S49.7Very low58.2Low72 Ų7281 Ų8150%0.50346%0.456SS..EExtended strand (participates in β ladder)trans-96.1125.4172.158.20000109.7S200 S221S198-S200 PolarHBondContact O-N 3.17Å; S198-S221 PolarHBondContact N-O 2.89Å; S198-S221 PolarHBondContact O-N 3.01Å; S198-S221 PolarHBondContact OG-O 3.35Å
199Q49.3Very low55.8Low123 Ų12386.2 Ų86.258%0.57548%0.477SS*.EExtended strand (participates in β ladder)trans-80.7112.8174.1-177.8163100.300109Q218 D220Q199-Q218 VanDerWaalsContact CD-NE2 3.27Å; Q199-Q218 HydrophobicContact CG-CG 4.23Å; Q199-D220 WeakPolarHBondContact CG-OD1 3.38Å; Q199-D220 PolarHBondContact NE2-OD1 3.28Å
200S39Very low53.3Low49 Ų4995 Ų9534%0.34351%0.51SS..EExtended strand (participates in β ladder)trans-107.9122.3-179.972.70000110.7S198 L219S198-S200 PolarHBondContact O-N 3.17Å; S200-L219 PolarHBondContact N-O 2.9Å; S200-L219 PolarHBondContact O-N 2.91Å; S200-L219 PolarHBondContact OG-O 3.4Å
201V43.7Very low50.7Low90 Ų9098.7 Ų98.755%0.54553%0.53SS..EExtended strand (participates in β ladder)trans-100.9110.7179.3-179.20000108.9L216V201-L216 HydrophobicContact CG1-CD2 3.51Å; V201-L216 HydrophobicContact CG1-CG 4.38Å
202R34.8Very low48.3Very low170 Ų17095.8 Ų95.864%0.64252%0.518SS*.EExtended strand (participates in β ladder)trans-10899.4177.9-175.3-178.3-69.5-138-0.3110.1V204 S217 L219R202-V204 HydrophobicContact CG-CG2 4.08Å; R202-S217 PolarHBondContact N-O 3.3Å; R202-S217 PolarHBondContact O-N 3Å; R202-S217 PolarHBondContact O-OG 3.44Å; R202-L219 HydrophobicContact CB-CD1 4.44Å
203A37.2Very low45.9Very low74 Ų7494.7 Ų94.761%0.61251%0.514SS*.EExtended strand (participates in β ladder)trans-70.2130.9166.900000110.6L216A203-L216 HydrophobicContact CB-CG 4.28Å
204V35.9Very low44Very low68 Ų6898.6 Ų98.641%0.41253%0.529SS..EExtended strand (participates in β ladder)trans-127.1101.1171.9-177.50000108.3R202 K206 S215R202-V204 HydrophobicContact CG-CG2 4.08Å; V204-K206 PolarHBondContact O-N 3.16Å; V204-S215 PolarHBondContact N-O 3.46Å; V204-S215 PolarHBondContact O-N 2.88Å; V204-S215 VanDerWaalsContact O-O 3.08Å; V204-S215 PolarHBondContact O-OG 3.26Å
205A35.4Very low42.1Very low70 Ų7099 Ų9958%0.57953%0.532SS*.EExtended strand (participates in β ladder)trans-75115.2172.100000109.4Y214A205-Y214 HydrophobicContact CB-CD1 3.58Å; A205-Y214 HydrophobicContact CB-CE1 3.8Å
206K31.4Very low40.7Very low137 Ų13799 Ų9960%0.59653%0.531SS*.EExtended strand (participates in β ladder)trans-106.688.1176-164.4-177.7-177.7-170.50109.3V204 T208 S213V204-K206 PolarHBondContact O-N 3.16Å; K206-T208 PolarHBondContact O-N 3.3Å; K206-T208 VanDerWaalsContact O-N 3.11Å; K206-S213 PolarHBondContact N-O 3.24Å; K206-S213 PolarHBondContact O-OG 3.33Å
207A33.1Very low39.5Very low89 Ų8992.2 Ų92.274%0.73651%0.511SS*.EExtended strand (participates in β ladder)trans-64.4110.117500000110
208T32.1Very low38.4Very low81 Ų8194.1 Ų94.150%0.49752%0.515SS..EExtended strand (participates in β ladder)trans-106.2143.7165.2-55.70000107.3K206 R210 D211K206-T208 PolarHBondContact O-N 3.3Å; K206-T208 VanDerWaalsContact O-N 3.11Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-D211 PolarHBondContact N-O 2.9Å; T208-D211 CarbonylContact O-C 3.57Å; T208-D211 PolarHBondContact O-N 3.25Å; T208-D211 VanDerWaalsContact O-N 3.15Å
209E39.6Very low38.3Very low165 Ų16594.4 Ų94.477%0.77151%0.511SS*.THydrogen-bonded Turntrans-53.4-18.8-162.1-160.3-170.1112.600116.2
210R37.3Very low38.4Very low209 Ų20991.5 Ų91.579%0.78950%0.499SS*.THydrogen-bonded Turntrans-131.3-0.9-178.4-59.7-175-169.4149.616.8115.5T208T208-R210 PolarHBondContact O-N 3.48Å
211D32.4Very low39.1Very low134 Ų13491.3 Ų91.372%0.71750%0.498SS*.EExtended strand (participates in β ladder)trans-153.9125.1173.2-96.3-50000110.6T208 S213T208-D211 PolarHBondContact N-O 2.9Å; T208-D211 CarbonylContact O-C 3.57Å; T208-D211 PolarHBondContact O-N 3.25Å; T208-D211 VanDerWaalsContact O-N 3.15Å; D211-S213 PolarHBondContact O-N 3.28Å
212T38Very low40Very low79 Ų7989.5 Ų89.549%0.48549%0.489SS..EExtended strand (participates in β ladder)trans-88.177.4178.137.70000111.3Y214T212-Y214 WeakPolarHBondContact O-CD2 3.46Å; T212-Y214 WeakPolarHBondContact O-CE2 3.45Å; T212-Y214 PolarHBondContact O-N 3.25Å
213S36.5Very low41.1Very low68 Ų6884.5 Ų84.548%0.47648%0.48SS..EExtended strand (participates in β ladder)trans-68.8101.3170.761.80000110.9K206 D211 S215K206-S213 PolarHBondContact N-O 3.24Å; K206-S213 PolarHBondContact O-OG 3.33Å; D211-S213 PolarHBondContact O-N 3.28Å; S213-S215 PolarHBondContact O-N 3.29Å
214Y41.1Very low42.6Very low96 Ų9681.2 Ų81.238%0.37645%0.452SS..EExtended strand (participates in β ladder)trans-83.3104.1171.6-63.4-92.5000109.8L37 A205 T212 L216L37-Y214 HydrophobicContact CD1-CD1 4.13Å; L37-Y214 HydrophobicContact CD1-CD2 4.39Å; L37-Y214 HydrophobicContact CD1-CG 3.98Å; L37-Y214 VanDerWaalsContact CD2-CB 3.49Å; L37-Y214 HydrophobicContact CD2-CD2 4.18Å; L37-Y214 HydrophobicContact CD2-CG 4Å; A205-Y214 HydrophobicContact CB-CD1 3.58Å; A205-Y214 HydrophobicContact CB-CE1 3.8Å; T212-Y214 WeakPolarHBondContact O-CD2 3.46Å; T212-Y214 WeakPolarHBondContact O-CE2 3.45Å; T212-Y214 PolarHBondContact O-N 3.25Å; Y214-L216 PolarHBondContact O-N 2.89Å
215S39.8Very low44.4Very low55 Ų5585.3 Ų85.339%0.38547%0.467SS..EExtended strand (participates in β ladder)trans-88.7104.8173.753.60000110.4V204 S213V204-S215 PolarHBondContact N-O 3.46Å; V204-S215 PolarHBondContact O-N 2.88Å; V204-S215 VanDerWaalsContact O-O 3.08Å; V204-S215 PolarHBondContact O-OG 3.26Å; S213-S215 PolarHBondContact O-N 3.29Å
216L40.8Very low46.5Very low26 Ų2687.9 Ų87.914%0.13646%0.462CS..EExtended strand (participates in β ladder)trans-93.8110.7179-162.4157.8000109.4L37 A41 V44 V201 A203 Y214L37-L216 HydrophobicContact CB-CD1 4.31Å; A41-L216 HydrophobicContact CB-CB 4.44Å; A41-L216 HydrophobicContact CB-CD1 4.45Å; A41-L216 HydrophobicContact CB-CD2 3.94Å; V44-L216 WeakPolarHBondContact CG1-O 3.47Å; V201-L216 HydrophobicContact CG1-CD2 3.51Å; V201-L216 HydrophobicContact CG1-CG 4.38Å; A203-L216 HydrophobicContact CB-CG 4.28Å; Y214-L216 PolarHBondContact O-N 2.89Å
217S40.9Very low48.7Very low36 Ų3682.4 Ų82.425%0.25244%0.442SS..EExtended strand (participates in β ladder)trans-106.2115.4-172.659.80000112.3R202R202-S217 PolarHBondContact N-O 3.3Å; R202-S217 PolarHBondContact O-N 3Å; R202-S217 PolarHBondContact O-OG 3.44Å
218Q39.3Very low51.1Low85 Ų8582.2 Ų82.240%0.39743%0.428SS..EExtended strand (participates in β ladder)trans-86.4119173.1-168.1-178.437.400109.2Q199Q199-Q218 VanDerWaalsContact CD-NE2 3.27Å; Q199-Q218 HydrophobicContact CG-CG 4.23Å
219L47.6Very low53.8Low79 Ų7982.7 Ų82.741%0.41443%0.427SS..EExtended strand (participates in β ladder)trans-117.4100.8174.2-74.492.3000109.7S200 R202 S221S200-L219 PolarHBondContact N-O 2.9Å; S200-L219 PolarHBondContact O-N 2.91Å; S200-L219 PolarHBondContact OG-O 3.4Å; R202-L219 HydrophobicContact CB-CD1 4.44Å; L219-S221 PolarHBondContact O-N 2.88Å; L219-S221 PolarHBondContact O-OG 3.43Å
220D50.3Low56.2Low62 Ų6276.6 Ų76.633%0.33240%0.397SS..EExtended strand (participates in β ladder)trans-66.1110.7164.3-53.8-51.9000108.2R46 H116 Q199R46-D220 IonicContact CZ-OD2 3.18Å; R46-D220 IonicContact NH1-OD2 2.71Å; R46-D220 PolarHBondContact NH1-OD2 2.79Å; R46-D220 IonicContact NH2-OD2 2.72Å; R46-D220 PolarHBondContact NH2-OD2 3.38Å; H116-D220 IonicContact CE1-OD2 3.16Å; Q199-D220 WeakPolarHBondContact CG-OD1 3.38Å; Q199-D220 PolarHBondContact NE2-OD1 3.28Å
221S52.9Low58.5Low45 Ų4568.4 Ų68.432%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-115.6105.1-173.1-61.80000109.8S198 L219S198-S221 PolarHBondContact N-O 2.89Å; S198-S221 PolarHBondContact O-N 3.01Å; S198-S221 PolarHBondContact OG-O 3.35Å; L219-S221 PolarHBondContact O-N 2.88Å; L219-S221 PolarHBondContact O-OG 3.43Å
222C62.5Low61.3Low51 Ų5167.2 Ų67.235%0.34536%0.361SS..EExtended strand (participates in β ladder)trans-90.5108.7177-55.50000110.8L126 V195 R196 C197L126-C222 HydrophobicContact CD2-CB 3.22Å; V195-C222 HydrophobicContact CG1-CB 4.23Å; R196-C222 CarbonylContact O-C 3.42Å; R196-C222 WeakPolarHBondContact O-CA 3.37Å; C197-C222 HydrophobicContact CB-CB 4.1Å; C197-C222 WeakPolarHBondContact CB-SG 3.18Å; C197-C222 WeakPolarHBondContact SG-CB 3.34Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.94Å
223S59.3Low63.9Low66 Ų6667 Ų6746%0.46236%0.356SS..EExtended strand (participates in β ladder)trans-136.2134.3-179.8-169.40000110.1R196R196-S223 PolarHBondContact N-O 2.71Å; R196-S223 PolarHBondContact O-N 2.94Å
224S68.5Low66.5Low4 Ų464.9 Ų64.93%0.02834%0.339CS..  trans-84.6153.1160.491.80000108.7W189 D193 Y226 S227W189-S224 PolarHBondContact NE1-OG 3.28Å; D193-S224 VanDerWaalsContact CG-OG 3.24Å; D193-S224 WeakPolarHBondContact O-CB 3.25Å; D193-S224 WeakPolarHBondContact OD1-CB 3.32Å; D193-S224 WeakPolarHBondContact OD2-CB 3.46Å; D193-S224 PolarHBondContact OD2-OG 3.13Å; S224-Y226 VanDerWaalsContact C-N 3.3Å; S224-Y226 PolarHBondContact O-N 3.17Å; S224-S227 WeakPolarHBondContact O-CB 3.27Å; S224-S227 PolarHBondContact O-N 2.69Å; S224-S227 PolarHBondContact O-OG 2.79Å; S224-S227 VanDerWaalsContact O-OG 3.1Å; S224-S227 VanDerWaalsContact OG-CA 3.26Å; S224-S227 WeakPolarHBondContact OG-CA 3.48Å; S224-S227 VanDerWaalsContact OG-CB 3.32Å; S224-S227 WeakPolarHBondContact OG-CB 3.34Å; S224-S227 PolarHBondContact OG-N 3.35Å
225E73.3Confident68.8Low155 Ų15561.9 Ų61.972%0.72433%0.334SS*.THydrogen-bonded Turntrans-66.7-35.1-169.1-170.8170.9-178.800111.5D193D193-E225 PolarHBondContact OD1-N 3.13Å; D193-E225 PolarHBondContact OD2-N 2.93Å
226Y79.7Confident71.4Confident123 Ų12363.5 Ų63.548%0.48234%0.341SS..THydrogen-bonded Turntrans-114.724.3180-57.6-67000112.8D193 S224 N228 I229 W230D193-Y226 WeakPolarHBondContact OD2-CA 3.4Å; D193-Y226 PolarHBondContact OD2-N 3.46Å; S224-Y226 VanDerWaalsContact C-N 3.3Å; S224-Y226 PolarHBondContact O-N 3.17Å; Y226-N228 PolarHBondContact O-N 2.96Å; Y226-N228 VanDerWaalsContact O-N 3.1Å; Y226-I229 HydrophobicContact CD1-CD1 3.85Å; Y226-I229 HydrophobicContact CG-CD1 4.34Å; Y226-I229 WeakPolarHBondContact O-CA 3.37Å; Y226-I229 WeakPolarHBondContact O-CB 3.35Å; Y226-I229 PolarHBondContact O-N 3.01Å; Y226-W230 PolarHBondContact O-N 3.26Å
227S78.1Confident73.8Confident23 Ų2364.8 Ų64.816%0.16135%0.347CS..Hα-helixtrans-46.2-42.4-178.550.80000114.3S224 I229 W230 L231S224-S227 WeakPolarHBondContact O-CB 3.27Å; S224-S227 PolarHBondContact O-N 2.69Å; S224-S227 PolarHBondContact O-OG 2.79Å; S224-S227 VanDerWaalsContact O-OG 3.1Å; S224-S227 VanDerWaalsContact OG-CA 3.26Å; S224-S227 WeakPolarHBondContact OG-CA 3.48Å; S224-S227 VanDerWaalsContact OG-CB 3.32Å; S224-S227 WeakPolarHBondContact OG-CB 3.34Å; S224-S227 PolarHBondContact OG-N 3.35Å; S227-I229 VanDerWaalsContact C-N 3.35Å; S227-I229 PolarHBondContact O-N 2.89Å; S227-W230 PolarHBondContact O-N 2.53Å; S227-L231 WeakPolarHBondContact O-CG 3.2Å; S227-L231 PolarHBondContact O-N 2.97Å
228N83.6Confident76.3Confident84 Ų8464.8 Ų64.845%0.44934%0.342SS..Hα-helixtrans-62.2-37.8176-71.2-53.3000113.1Y226 L231 I232Y226-N228 PolarHBondContact O-N 2.96Å; Y226-N228 VanDerWaalsContact O-N 3.1Å; N228-L231 PolarHBondContact O-N 2.94Å; N228-I232 WeakPolarHBondContact O-CD1 3.34Å; N228-I232 VanDerWaalsContact O-CG1 3.25Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.98Å
229I88.6Confident78.9Confident92 Ų9262.4 Ų62.447%0.47234%0.341SS..Hα-helixtrans-68.2-44.2178.9-53.3-175.3000109.7Y226 S227 L231 I232 I233Y226-I229 HydrophobicContact CD1-CD1 3.85Å; Y226-I229 HydrophobicContact CG-CD1 4.34Å; Y226-I229 WeakPolarHBondContact O-CA 3.37Å; Y226-I229 WeakPolarHBondContact O-CB 3.35Å; Y226-I229 PolarHBondContact O-N 3.01Å; S227-I229 VanDerWaalsContact C-N 3.35Å; S227-I229 PolarHBondContact O-N 2.89Å; I229-L231 PolarHBondContact O-N 3.38Å; I229-I232 PolarHBondContact O-N 2.99Å; I229-I233 HydrophobicContact CG2-CD1 4.02Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.85Å
230W88.9Confident81Confident37 Ų3762.1 Ų62.114%0.1434%0.344CS..Hα-helixtrans-62.1-41.7175.7-71.6108.2000112.8T188 W189 T192 Y226 S227 I232 I233 I234T188-W230 HydrophobicContact CG2-CH2 3.88Å; W189-W230 HydrophobicContact CB-CD2 3.7Å; W189-W230 HydrophobicContact CB-CE3 3.63Å; W189-W230 HydrophobicContact CB-CG 4.22Å; W189-W230 HydrophobicContact CB-CH2 4.4Å; W189-W230 HydrophobicContact CB-CZ2 4.46Å; W189-W230 HydrophobicContact CB-CZ3 3.99Å; W189-W230 AromaticContact CD1-CD1 3.32Å; W189-W230 AromaticContact CD1-CD2 3.69Å; W189-W230 AromaticContact CD1-CE2 3.85Å; W189-W230 AromaticContact CD1-CG 3.4Å; W189-W230 VanDerWaalsContact CD1-CG 3.4Å; W189-W230 AromaticContact CD1-NE1 3.57Å; W189-W230 HydrophobicContact CD2-CB 3.72Å; W189-W230 HydrophobicContact CD2-CD2 4.28Å; W189-W230 AromaticContact CD2-CG 3.86Å; W189-W230 HydrophobicContact CD2-CG 3.86Å; W189-W230 AromaticContact CE2-CG 3.87Å; W189-W230 HydrophobicContact CE3-CB 4.21Å; W189-W230 HydrophobicContact CG-CB 4Å; W189-W230 AromaticContact CG-CD1 3.98Å; W189-W230 AromaticContact CG-CD2 3.61Å; W189-W230 HydrophobicContact CG-CD2 3.61Å; W189-W230 AromaticContact CG-CE3 4Å; W189-W230 HydrophobicContact CG-CE3 4Å; W189-W230 AromaticContact CG-CG 3.58Å; W189-W230 HydrophobicContact CG-CG 3.58Å; W189-W230 HydrophobicContact CZ2-CB 4.06Å; W189-W230 AromaticContact NE1-CD1 3.43Å; W189-W230 AromaticContact NE1-CG 3.59Å; T192-W230 WeakPolarHBondContact OG1-CZ2 3.32Å; Y226-W230 PolarHBondContact O-N 3.26Å; S227-W230 PolarHBondContact O-N 2.53Å; W230-I232 VanDerWaalsContact C-N 3.35Å; W230-I232 PolarHBondContact O-N 2.85Å; W230-I233 HydrophobicContact CE3-CD1 4.25Å; W230-I233 HydrophobicContact CZ3-CD1 4.42Å; W230-I233 PolarHBondContact O-N 3.22Å; W230-I234 VanDerWaalsContact O-CG1 3.31Å; W230-I234 WeakPolarHBondContact O-CG1 3.5Å; W230-I234 PolarHBondContact O-N 3.25Å
231L86.9Confident83Confident37 Ų3760 Ų6019%0.19433%0.333CS..Hα-helixtrans-63.1-38.3173.5-71173000112.4M130 W189 S227 N228 I229 A235 F284M130-L231 HydrophobicContact CE-CD2 4.41Å; W189-L231 HydrophobicContact CH2-CD2 4.43Å; S227-L231 WeakPolarHBondContact O-CG 3.2Å; S227-L231 PolarHBondContact O-N 2.97Å; N228-L231 PolarHBondContact O-N 2.94Å; I229-L231 PolarHBondContact O-N 3.38Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.28Å; L231-F284 HydrophobicContact CD1-CE1 3.77Å; L231-F284 HydrophobicContact CD1-CZ 4.27Å
232I90.1Very high84.9Confident109 Ų10958.7 Ų58.756%0.55932%0.323SS*.Hα-helixtrans-65.6-45.4174.3-70.8163.6000111N228 I229 W230 I234 A235 V236N228-I232 WeakPolarHBondContact O-CD1 3.34Å; N228-I232 VanDerWaalsContact O-CG1 3.25Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.98Å; I229-I232 PolarHBondContact O-N 2.99Å; W230-I232 VanDerWaalsContact C-N 3.35Å; W230-I232 PolarHBondContact O-N 2.85Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.48Å; I232-A235 PolarHBondContact O-N 3.01Å; I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.28Å; I232-V236 PolarHBondContact O-N 3.32Å
233I92.1Very high86.3Confident73 Ų7362 Ų6237%0.37434%0.336SS..Hα-helixtrans-58.4-46.8177.3-70165.1000110.6I185 I229 W230 V236 Q237I185-I233 HydrophobicContact CG2-CG2 4.44Å; I229-I233 HydrophobicContact CG2-CD1 4.02Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.85Å; W230-I233 HydrophobicContact CE3-CD1 4.25Å; W230-I233 HydrophobicContact CZ3-CD1 4.42Å; W230-I233 PolarHBondContact O-N 3.22Å; I233-V236 PolarHBondContact O-N 3.14Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 PolarHBondContact O-N 3.31Å
234I91.3Very high87.8Confident24 Ų2464 Ų6412%0.12333%0.334CS..Hα-helixtrans-64.5-43.3177.2-67.4166.9000110.8I185 L186 W189 W230 I232 V236 Q237 K238I185-I234 HydrophobicContact CG2-CG1 4.4Å; L186-I234 HydrophobicContact CD2-CD1 4.12Å; W189-I234 HydrophobicContact CE3-CD1 3.8Å; W189-I234 HydrophobicContact CZ3-CD1 3.65Å; W230-I234 VanDerWaalsContact O-CG1 3.31Å; W230-I234 WeakPolarHBondContact O-CG1 3.5Å; W230-I234 PolarHBondContact O-N 3.25Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.48Å; I234-V236 PolarHBondContact O-N 3.01Å; I234-Q237 PolarHBondContact O-N 3.18Å; I234-K238 HydrophobicContact CG2-CG 4.3Å; I234-K238 WeakPolarHBondContact O-CB 3.22Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.12Å
235A90.8Very high88.8Confident33 Ų3363.8 Ų63.827%0.27333%0.333SS..Hα-helixtrans-62.1-42.217800000112.4L231 I232 G239 F281L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.28Å; I232-A235 PolarHBondContact O-N 3.01Å; A235-G239 PolarHBondContact O-N 2.93Å; A235-F281 HydrophobicContact CB-CE1 4.17Å; A235-F281 HydrophobicContact CB-CE2 4.35Å; A235-F281 HydrophobicContact CB-CZ 3.7Å
236V93.4Very high89.6Confident89 Ų8958.8 Ų58.854%0.53931%0.313SS..Hα-helixtrans-63.9-48.4175.1170.80000110.7I232 I233 I234 K238 G239 C240I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.28Å; I232-V236 PolarHBondContact O-N 3.32Å; I233-V236 PolarHBondContact O-N 3.14Å; I234-V236 PolarHBondContact O-N 3.01Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.38Å; V236-G239 WeakPolarHBondContact O-CA 3.28Å; V236-G239 PolarHBondContact O-N 3.46Å; V236-G239 VanDerWaalsContact O-N 3.12Å; V236-C240 PolarHBondContact O-N 3.45Å; V236-C240 PolarHBondContact O-SG 2.98Å; V236-C240 VanDerWaalsContact O-SG 3.38Å
237Q92.7Very high90.1Very high54 Ų5459.7 Ų59.725%0.25232%0.317SS..Hα-helixtrans-57-45.5177.7175.165.4-600112I185 I233 I234 C240 L241I185-Q237 HydrophobicContact CD1-CG 4.1Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 PolarHBondContact O-N 3.31Å; I234-Q237 PolarHBondContact O-N 3.18Å; Q237-C240 PolarHBondContact O-N 3.09Å; Q237-L241 PolarHBondContact O-N 3.39Å; Q237-L241 VanDerWaalsContact O-N 3.14Å
238K92.8Very high90.5Very high35 Ų3558.8 Ų58.815%0.15231%0.31CS..Hα-helixtrans-66.6-39.6175.9-64.6-73.5173.31760111.6C134 S137 T138 E182 I234 V236 L241 L242C134-K238 PolarHBondContact O-NZ 3.14Å; S137-K238 PolarHBondContact OG-NZ 2.93Å; T138-K238 PolarHBondContact OG1-NZ 3.42Å; E182-K238 WeakPolarHBondContact OE1-CE 3.41Å; E182-K238 IonicContact OE1-NZ 2.99Å; E182-K238 PolarHBondContact OE1-NZ 3.46Å; E182-K238 IonicContact OE2-NZ 3.89Å; E182-K238 PolarHBondContact OE2-NZ 2.89Å; I234-K238 HydrophobicContact CG2-CG 4.3Å; I234-K238 WeakPolarHBondContact O-CB 3.22Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.12Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.38Å; K238-L241 PolarHBondContact O-N 2.86Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3.48Å
239G93.2Very high90.7Very high36 Ų3654.8 Ų54.837%0.37129%0.289SS..Hα-helixtrans-59.9-44.7174.400000112.9A235 V236 L241 L242 L243A235-G239 PolarHBondContact O-N 2.93Å; V236-G239 WeakPolarHBondContact O-CA 3.28Å; V236-G239 PolarHBondContact O-N 3.46Å; V236-G239 VanDerWaalsContact O-N 3.12Å; G239-L241 PolarHBondContact O-N 3.01Å; G239-L242 PolarHBondContact O-N 2.84Å; G239-L243 WeakPolarHBondContact O-CB 3.4Å; G239-L243 PolarHBondContact O-N 3.4Å
240C92.9Very high90.5Very high72 Ų7252.1 Ų52.149%0.48628%0.284SS..Hα-helixtrans-61.8-41174.7-69.50000112.3V236 Q237 L243 Y244V236-C240 PolarHBondContact O-N 3.45Å; V236-C240 PolarHBondContact O-SG 2.98Å; V236-C240 VanDerWaalsContact O-SG 3.38Å; Q237-C240 PolarHBondContact O-N 3.09Å; C240-L243 PolarHBondContact O-N 3.01Å; C240-Y244 WeakPolarHBondContact O-CB 3.29Å; C240-Y244 PolarHBondContact O-N 3.05Å
241L91.3Very high90.3Very high17 Ų1753.7 Ų53.79%0.08929%0.294CS..Hα-helixtrans-64.8-40.6176.3-176148.1000112.2T138 F141 L145 Q237 K238 G239 G245T138-L241 HydrophobicContact CG2-CD1 4.33Å; F141-L241 HydrophobicContact CB-CD2 3.84Å; L145-L241 HydrophobicContact CD1-CD1 4.43Å; L145-L241 HydrophobicContact CD1-CD2 3.67Å; L145-L241 HydrophobicContact CD1-CG 3.74Å; Q237-L241 PolarHBondContact O-N 3.39Å; Q237-L241 VanDerWaalsContact O-N 3.14Å; K238-L241 PolarHBondContact O-N 2.86Å; G239-L241 PolarHBondContact O-N 3.01Å; L241-G245 PolarHBondContact O-N 3.5Å; L241-G245 VanDerWaalsContact O-N 3.14Å
242L92Very high89.9Confident19 Ų1952 Ų5210%0.09929%0.286CS..Hα-helixtrans-68-40.2175.2-69171.5000112.4F141 K238 G239 G245 T246 V270 V273 T274F141-L242 HydrophobicContact CD1-CD2 4.26Å; F141-L242 HydrophobicContact CD2-CD2 4.3Å; F141-L242 HydrophobicContact CE1-CD2 4.12Å; F141-L242 HydrophobicContact CE2-CD2 4.16Å; F141-L242 HydrophobicContact CG-CD2 4.37Å; F141-L242 HydrophobicContact CZ-CD2 4.08Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3.48Å; G239-L242 PolarHBondContact O-N 2.84Å; L242-G245 WeakPolarHBondContact O-CA 3.33Å; L242-G245 PolarHBondContact O-N 3.16Å; L242-G245 VanDerWaalsContact O-N 3.09Å; L242-T246 PolarHBondContact O-N 2.68Å; L242-V270 HydrophobicContact CB-CG1 3.93Å; L242-V270 HydrophobicContact CD2-CB 4.49Å; L242-V270 HydrophobicContact CD2-CG1 4.17Å; L242-V270 HydrophobicContact CD2-CG2 3.96Å; L242-V273 HydrophobicContact CD1-CG1 3.84Å; L242-V273 HydrophobicContact CD2-CG1 4.44Å; L242-T274 HydrophobicContact CD1-CG2 4.29Å
243L92.6Very high89.3Confident119 Ų11949 Ų4962%0.62328%0.275SS*.Hα-helixtrans-65.4-39175.9-177.264.5000112.2G239 C240 G245 T246 Y247G239-L243 WeakPolarHBondContact O-CB 3.4Å; G239-L243 PolarHBondContact O-N 3.4Å; C240-L243 PolarHBondContact O-N 3.01Å; L243-G245 PolarHBondContact O-N 3.47Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3.48Å; L243-T246 VanDerWaalsContact O-OG1 3.05Å; L243-Y247 WeakPolarHBondContact O-CB 3.43Å; L243-Y247 PolarHBondContact O-N 2.95Å
244Y90.8Very high88Confident108 Ų10852.3 Ų52.342%0.42429%0.293SS..Hα-helixtrans-62.2-34.2170.8-175.5-111.2000111.8C240 L248C240-Y244 WeakPolarHBondContact O-CB 3.29Å; C240-Y244 PolarHBondContact O-N 3.05Å; Y244-L248 HydrophobicContact CD1-CD1 4Å; Y244-L248 HydrophobicContact CE1-CD1 3.44Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.44Å; Y244-L248 HydrophobicContact CE1-CG 4.11Å; Y244-L248 HydrophobicContact CE2-CG 4.41Å; Y244-L248 WeakPolarHBondContact O-CG 3.37Å; Y244-L248 PolarHBondContact O-N 3.28Å
245G90.3Very high86.7Confident1 Ų153 Ų531%0.0130%0.298CS..Hα-helixtrans-65-46.7173.100000114.6L241 L242 L243 Y247 L248 A249L241-G245 PolarHBondContact O-N 3.5Å; L241-G245 VanDerWaalsContact O-N 3.14Å; L242-G245 WeakPolarHBondContact O-CA 3.33Å; L242-G245 PolarHBondContact O-N 3.16Å; L242-G245 VanDerWaalsContact O-N 3.09Å; L243-G245 PolarHBondContact O-N 3.47Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.9Å; G245-L248 PolarHBondContact O-N 2.87Å; G245-A249 WeakPolarHBondContact O-CB 3.41Å; G245-A249 PolarHBondContact O-N 3.06Å
246T89.7Confident84.6Confident49 Ų4956.1 Ų56.130%0.30132%0.318SS..Hα-helixtrans-67.7-34.1176.253.10000111.9L242 L243 A249 G250 V270L242-T246 PolarHBondContact O-N 2.68Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3.48Å; L243-T246 VanDerWaalsContact O-OG1 3.05Å; T246-A249 PolarHBondContact O-N 3.35Å; T246-G250 PolarHBondContact O-N 2.8Å; T246-V270 HydrophobicContact CG2-CB 3.91Å; T246-V270 HydrophobicContact CG2-CG1 3.6Å; T246-V270 HydrophobicContact CG2-CG2 4.27Å
247Y90.4Very high82.6Confident143 Ų14358 Ų5856%0.56132%0.321SS*.Hα-helixtrans-60.4-51.3171.2176.9-104.1000112.4L243 G245 A249 G250 L251L243-Y247 WeakPolarHBondContact O-CB 3.43Å; L243-Y247 PolarHBondContact O-N 2.95Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.9Å; Y247-A249 PolarHBondContact O-N 3.32Å; Y247-G250 PolarHBondContact O-N 2.91Å; Y247-L251 HydrophobicContact CD1-CD1 4.01Å; Y247-L251 HydrophobicContact CE1-CD1 3.5Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.5Å; Y247-L251 HydrophobicContact CE2-CD1 4.29Å; Y247-L251 WeakPolarHBondContact O-CG 3.48Å; Y247-L251 PolarHBondContact O-N 3.3Å
248L86.8Confident80.2Confident3 Ų360.7 Ų60.72%0.01634%0.343CS..Hα-helixtrans-63.7-37.1176.1-74.7-179.5000113T148 W149 Y152 Y244 G245 L251 T252T148-L248 HydrophobicContact CG2-CB 3.76Å; W149-L248 HydrophobicContact CB-CD1 4.05Å; Y152-L248 HydrophobicContact CD1-CD2 4.48Å; Y244-L248 HydrophobicContact CD1-CD1 4Å; Y244-L248 HydrophobicContact CE1-CD1 3.44Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.44Å; Y244-L248 HydrophobicContact CE1-CG 4.11Å; Y244-L248 HydrophobicContact CE2-CG 4.41Å; Y244-L248 WeakPolarHBondContact O-CG 3.37Å; Y244-L248 PolarHBondContact O-N 3.28Å; G245-L248 PolarHBondContact O-N 2.87Å; L248-L251 PolarHBondContact O-N 3.19Å; L248-T252 PolarHBondContact O-N 3.15Å; L248-T252 VanDerWaalsContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.97Å
249A86.9Confident78Confident0 Ų063.6 Ų63.60%037%0.365CS..Hα-helixtrans-66.7-39.717500000111.8G245 T246 Y247 T252 S253 S263 I266 I267G245-A249 WeakPolarHBondContact O-CB 3.41Å; G245-A249 PolarHBondContact O-N 3.06Å; T246-A249 PolarHBondContact O-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.32Å; A249-T252 WeakPolarHBondContact CA-OG1 3.49Å; A249-T252 PolarHBondContact O-N 2.86Å; A249-T252 PolarHBondContact O-OG1 3.45Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.47Å; A249-S263 WeakPolarHBondContact O-CB 3.49Å; A249-I266 HydrophobicContact CB-CB 4.06Å; A249-I266 HydrophobicContact CB-CG2 3.83Å; A249-I267 HydrophobicContact CB-CD1 4.27Å; A249-I267 HydrophobicContact CB-CG1 3.76Å
250G85.4Confident76.2Confident36 Ų3664.3 Ų64.337%0.37136%0.363SS..Hα-helixtrans-59.5-46.4172.900000112.1T246 Y247 T252 S253T246-G250 PolarHBondContact O-N 2.8Å; Y247-G250 PolarHBondContact O-N 2.91Å; G250-T252 VanDerWaalsContact C-N 3.29Å; G250-T252 PolarHBondContact O-N 3.25Å; G250-S253 PolarHBondContact O-N 2.95Å; G250-S253 PolarHBondContact O-OG 3.32Å
251L84.3Confident75Confident70 Ų7062.5 Ų62.537%0.36635%0.348SS..Hα-helixtrans-63.5-30176.8-70.6171.7000113.9Y152 Y247 L248Y152-L251 HydrophobicContact CD2-CB 3.99Å; Y152-L251 HydrophobicContact CD2-CD1 4.06Å; Y152-L251 HydrophobicContact CE2-CB 4.28Å; Y152-L251 HydrophobicContact CE2-CD1 3.78Å; Y152-L251 HydrophobicContact CE2-CD2 4.47Å; Y152-L251 HydrophobicContact CE2-CG 4.42Å; Y247-L251 HydrophobicContact CD1-CD1 4.01Å; Y247-L251 HydrophobicContact CE1-CD1 3.5Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.5Å; Y247-L251 HydrophobicContact CE2-CD1 4.29Å; Y247-L251 WeakPolarHBondContact O-CG 3.48Å; Y247-L251 PolarHBondContact O-N 3.3Å; L248-L251 PolarHBondContact O-N 3.19Å
252T79.1Confident74.1Confident3 Ų364 Ų642%0.01835%0.354CS..Hα-helixtrans-92-18.3179.747.20000114T148 L151 L248 A249 G250 N254 V255T148-T252 HydrophobicContact CG2-CG2 4.07Å; L151-T252 HydrophobicContact CB-CG2 4.34Å; L151-T252 HydrophobicContact CD2-CG2 4.21Å; L151-T252 HydrophobicContact CG-CG2 4.3Å; L248-T252 PolarHBondContact O-N 3.15Å; L248-T252 VanDerWaalsContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.97Å; A249-T252 WeakPolarHBondContact CA-OG1 3.49Å; A249-T252 PolarHBondContact O-N 2.86Å; A249-T252 PolarHBondContact O-OG1 3.45Å; G250-T252 VanDerWaalsContact C-N 3.29Å; G250-T252 PolarHBondContact O-N 3.25Å; T252-N254 PolarHBondContact O-N 2.94Å; T252-N254 VanDerWaalsContact O-N 3.09Å; T252-V255 PolarHBondContact O-N 3.44Å; T252-V255 VanDerWaalsContact O-N 3.07Å
253S75.7Confident73.5Confident46 Ų4663.4 Ų63.432%0.32235%0.352SS..THydrogen-bonded Turntrans-52.5-34.7-174.564.80000115.5A249 G250 V255 S263A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.47Å; G250-S253 PolarHBondContact O-N 2.95Å; G250-S253 PolarHBondContact O-OG 3.32Å; S253-V255 PolarHBondContact O-N 3.46Å; S253-S263 WeakPolarHBondContact CA-OG 3.45Å
254N65.1Low73Confident141 Ų14161.1 Ų61.175%0.75434%0.344SS*.THydrogen-bonded Turntrans-76.9-0.4-177.2-67.2-72.4000114.3T252 S256T252-N254 PolarHBondContact O-N 2.94Å; T252-N254 VanDerWaalsContact O-N 3.09Å; N254-S256 PolarHBondContact O-N 3.27Å
255V64Low72.7Confident39 Ų3957.1 Ų57.124%0.23633%0.331CS..  trans-103.674.5-179.5-163.80000110.6F155 T252 S253 H257F155-V255 HydrophobicContact CD1-CG1 4.42Å; F155-V255 HydrophobicContact CD2-CB 4.13Å; F155-V255 HydrophobicContact CD2-CG1 3.97Å; F155-V255 HydrophobicContact CD2-CG2 3.81Å; F155-V255 HydrophobicContact CE1-CG1 4Å; F155-V255 HydrophobicContact CE2-CB 3.85Å; F155-V255 HydrophobicContact CE2-CG1 3.46Å; F155-V255 VanDerWaalsContact CE2-CG1 3.46Å; F155-V255 HydrophobicContact CE2-CG2 4.08Å; F155-V255 HydrophobicContact CG-CG1 4.42Å; F155-V255 HydrophobicContact CG-CG2 4.31Å; F155-V255 HydrophobicContact CZ-CB 4.39Å; F155-V255 HydrophobicContact CZ-CG1 3.5Å; T252-V255 PolarHBondContact O-N 3.44Å; T252-V255 VanDerWaalsContact O-N 3.07Å; S253-V255 PolarHBondContact O-N 3.46Å; V255-H257 PolarHBondContact O-N 2.93Å
256S48.1Very low72.6Confident99 Ų9957.4 Ų57.469%0.69233%0.332SS*.  trans-72.934.1-167.849.70000116.5N254 P258N254-S256 PolarHBondContact O-N 3.27Å; S256-P258 WeakPolarHBondContact O-CD 3.47Å
257H49.9Very low72.6Confident129 Ų12958.3 Ų58.360%0.59733%0.334SS*.  trans-90.3109.8171-67.5-50.2000110.8V255 P259 V260 N261V255-H257 PolarHBondContact O-N 2.93Å; H257-P259 VanDerWaalsContact C-CD 3.41Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; H257-N261 PolarHBondContact O-N 3.44Å; H257-N261 VanDerWaalsContact O-N 3.16Å
258P43.1Very low72.5Confident110 Ų11054.5 Ų54.571%0.71433%0.326SS*.THydrogen-bonded Turntrans-63.4-26.5-165.521.7-31.5000117.9S256 V260S256-P258 WeakPolarHBondContact O-CD 3.47Å; P258-V260 PolarHBondContact O-N 3.06Å
259P46.4Very low72.7Confident95 Ų9554.7 Ų54.762%0.61733%0.328SS*.THydrogen-bonded Turntrans-75.3-1.9176.330-35.2000114.1H257H257-P259 VanDerWaalsContact C-CD 3.41Å
260V56.3Low73Confident52 Ų5255 Ų5532%0.31533%0.33SS..THydrogen-bonded Turntrans-131-21.5-178.2-150.50000113.8L151 H257 P258 Q262L151-V260 HydrophobicContact CD1-CB 4.48Å; L151-V260 HydrophobicContact CD1-CG1 3.49Å; L151-V260 VanDerWaalsContact CD1-CG1 3.49Å; L151-V260 WeakPolarHBondContact CD2-O 3.26Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; P258-V260 PolarHBondContact O-N 3.06Å; V260-Q262 PolarHBondContact O-N 3.25Å
261N66Low73.3Confident34 Ų3457 Ų5718%0.18234%0.335CS..  trans-76.295.1-177.5-170.29.1000113.1H257 S263H257-N261 PolarHBondContact O-N 3.44Å; H257-N261 VanDerWaalsContact O-N 3.16Å; N261-S263 VanDerWaalsContact C-N 3.35Å; N261-S263 VanDerWaalsContact OD1-CB 3.22Å; N261-S263 WeakPolarHBondContact OD1-CB 3.44Å; N261-S263 PolarHBondContact OD1-N 3.38Å; N261-S263 PolarHBondContact OD1-OG 2.89Å
262Q72.7Confident73.8Confident48 Ų4855.7 Ų55.722%0.22433%0.328CS..  trans-85.8-0.5174.9-64.2-174-24.200113.6V260 P264 T265 I266V260-Q262 PolarHBondContact O-N 3.25Å; Q262-P264 VanDerWaalsContact C-CD 3.42Å; Q262-T265 PolarHBondContact O-N 3.01Å; Q262-I266 HydrophobicContact CB-CD1 4.27Å; Q262-I266 WeakPolarHBondContact O-CD1 3.1Å; Q262-I266 WeakPolarHBondContact O-CG1 3.27Å; Q262-I266 PolarHBondContact O-N 3.43Å
263S79.9Confident74.5Confident7 Ų756.8 Ų56.85%0.04934%0.335CS..Hα-helixtrans-56.1-38.7-177.590.70000114.6A249 S253 N261 T265 I266 I267A249-S263 WeakPolarHBondContact O-CB 3.49Å; S253-S263 WeakPolarHBondContact CA-OG 3.45Å; N261-S263 VanDerWaalsContact C-N 3.35Å; N261-S263 VanDerWaalsContact OD1-CB 3.22Å; N261-S263 WeakPolarHBondContact OD1-CB 3.44Å; N261-S263 PolarHBondContact OD1-N 3.38Å; N261-S263 PolarHBondContact OD1-OG 2.89Å; S263-T265 PolarHBondContact O-N 3.4Å; S263-I266 PolarHBondContact O-N 3.48Å; S263-I267 VanDerWaalsContact O-CG1 3.28Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.41Å
264P82.6Confident75.3Confident70 Ų7057.6 Ų57.646%0.45534%0.338SS..Hα-helixtrans-66.3-40-179.2-21.234.5000112.6Q262 I266 I267 T268Q262-P264 VanDerWaalsContact C-CD 3.42Å; P264-I266 VanDerWaalsContact C-N 3.33Å; P264-I266 PolarHBondContact O-N 2.94Å; P264-I267 PolarHBondContact O-N 3.09Å; P264-T268 WeakPolarHBondContact O-CB 2.95Å; P264-T268 PolarHBondContact O-N 3.05Å; P264-T268 PolarHBondContact O-OG1 3.02Å
265T84.7Confident76.6Confident24 Ų2457.6 Ų57.615%0.14733%0.332CS..Hα-helixtrans-61.2-42.4175.4-60.50000111.2Q262 S263 A269 M312 L313Q262-T265 PolarHBondContact O-N 3.01Å; S263-T265 PolarHBondContact O-N 3.4Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.32Å; T265-A269 PolarHBondContact O-N 3.22Å; T265-M312 HydrophobicContact CG2-CB 3.76Å; T265-M312 WeakPolarHBondContact CG2-O 3.45Å; T265-M312 PolarHBondContact OG1-O 2.96Å; T265-L313 HydrophobicContact CG2-CD2 3.72Å; T265-L313 HydrophobicContact CG2-CG 3.89Å
266I87.9Confident78.1Confident7 Ų756.6 Ų56.64%0.03633%0.326CS..Hα-helixtrans-67.7-47.6-179.5-61.7152000110.9I144 T148 A249 Q262 S263 P264 T268 A269 V270I144-I266 HydrophobicContact CG2-CD1 4.27Å; I144-I266 HydrophobicContact CG2-CG1 3.61Å; T148-I266 HydrophobicContact CG2-CD1 3.72Å; T148-I266 WeakPolarHBondContact OG1-CD1 3.25Å; A249-I266 HydrophobicContact CB-CB 4.06Å; A249-I266 HydrophobicContact CB-CG2 3.83Å; Q262-I266 HydrophobicContact CB-CD1 4.27Å; Q262-I266 WeakPolarHBondContact O-CD1 3.1Å; Q262-I266 WeakPolarHBondContact O-CG1 3.27Å; Q262-I266 PolarHBondContact O-N 3.43Å; S263-I266 PolarHBondContact O-N 3.48Å; P264-I266 VanDerWaalsContact C-N 3.33Å; P264-I266 PolarHBondContact O-N 2.94Å; I266-T268 VanDerWaalsContact C-N 3.3Å; I266-T268 PolarHBondContact O-N 3.39Å; I266-A269 PolarHBondContact O-N 3.16Å; I266-V270 HydrophobicContact CG2-CG2 4.4Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.37Å
267I88.4Confident80.2Confident68 Ų6853.9 Ų53.935%0.34931%0.307SS..Hα-helixtrans-59.1-46.1178.6-66.1167.5000109.7A249 S263 P264 V270 T271A249-I267 HydrophobicContact CB-CD1 4.27Å; A249-I267 HydrophobicContact CB-CG1 3.76Å; S263-I267 VanDerWaalsContact O-CG1 3.28Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.41Å; P264-I267 PolarHBondContact O-N 3.09Å; I267-V270 PolarHBondContact O-N 3.14Å; I267-T271 HydrophobicContact CG2-CG2 4.47Å; I267-T271 WeakPolarHBondContact O-CG2 3.3Å; I267-T271 PolarHBondContact O-N 3.25Å; I267-T271 PolarHBondContact O-OG1 2.64Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å
268T89.4Confident82.2Confident63 Ų6350.9 Ų50.939%0.38731%0.305SS..Hα-helixtrans-65.8-40.7179.7-51.60000112.7P264 I266 T271 L272P264-T268 WeakPolarHBondContact O-CB 2.95Å; P264-T268 PolarHBondContact O-N 3.05Å; P264-T268 PolarHBondContact O-OG1 3.02Å; I266-T268 VanDerWaalsContact C-N 3.3Å; I266-T268 PolarHBondContact O-N 3.39Å; T268-T271 PolarHBondContact O-OG1 3.21Å; T268-L272 VanDerWaalsContact O-CB 3.31Å; T268-L272 WeakPolarHBondContact O-CB 3.22Å; T268-L272 PolarHBondContact O-N 3.11Å; T268-L272 VanDerWaalsContact O-N 3.07Å
269A91.2Very high84.7Confident7 Ų748.9 Ų48.96%0.05829%0.29CS..Hα-helixtrans-67.6-40.9177.600000111.9F141 T265 I266 V273 T309F141-A269 HydrophobicContact CE1-CB 4.14Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.32Å; T265-A269 PolarHBondContact O-N 3.22Å; I266-A269 PolarHBondContact O-N 3.16Å; A269-V273 PolarHBondContact O-N 2.9Å; A269-T309 HydrophobicContact CB-CG2 4.13Å
270V92.4Very high86.8Confident8 Ų845 Ų455%0.04827%0.266CS..Hα-helixtrans-69.5-44.6177178.30000111.4L242 T246 I266 I267 L272 V273 T274L242-V270 HydrophobicContact CB-CG1 3.93Å; L242-V270 HydrophobicContact CD2-CB 4.49Å; L242-V270 HydrophobicContact CD2-CG1 4.17Å; L242-V270 HydrophobicContact CD2-CG2 3.96Å; T246-V270 HydrophobicContact CG2-CB 3.91Å; T246-V270 HydrophobicContact CG2-CG1 3.6Å; T246-V270 HydrophobicContact CG2-CG2 4.27Å; I266-V270 HydrophobicContact CG2-CG2 4.4Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.37Å; I267-V270 PolarHBondContact O-N 3.14Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.18Å; V270-V273 PolarHBondContact O-N 3.3Å; V270-T274 HydrophobicContact CG1-CG2 4.06Å; V270-T274 WeakPolarHBondContact O-CG2 3.41Å; V270-T274 PolarHBondContact O-N 2.95Å; V270-T274 PolarHBondContact O-OG1 2.96Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å
271T91.7Very high88.4Confident76 Ų7647.5 Ų47.547%0.46627%0.273SS..Hα-helixtrans-64.6-34.6178.753.50000112.7I267 T268 T274 F275I267-T271 HydrophobicContact CG2-CG2 4.47Å; I267-T271 WeakPolarHBondContact O-CG2 3.3Å; I267-T271 PolarHBondContact O-N 3.25Å; I267-T271 PolarHBondContact O-OG1 2.64Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å; T268-T271 PolarHBondContact O-OG1 3.21Å; T271-T274 PolarHBondContact O-OG1 3.42Å; T271-F275 VanDerWaalsContact O-CB 3.25Å; T271-F275 WeakPolarHBondContact O-CB 3.49Å; T271-F275 PolarHBondContact O-N 3.46Å
272L94.1Very high89.6Confident43 Ų4348.6 Ų48.623%0.22528%0.282CS..Hα-helixtrans-66.6-46.7173.5-177.762000111.7T268 V270 F275 S276 I304 A308T268-L272 VanDerWaalsContact O-CB 3.31Å; T268-L272 WeakPolarHBondContact O-CB 3.22Å; T268-L272 PolarHBondContact O-N 3.11Å; T268-L272 VanDerWaalsContact O-N 3.07Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.18Å; L272-F275 PolarHBondContact O-N 3.49Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.77Å; L272-S276 PolarHBondContact O-OG 3.44Å; L272-I304 HydrophobicContact CD1-CG2 4.28Å; L272-I304 HydrophobicContact CD2-CG2 4.37Å; L272-A308 HydrophobicContact CD2-CB 3.35Å
273V93.9Very high90.4Very high27 Ų2747.3 Ų47.316%0.16428%0.278CS..Hα-helixtrans-66.6-41.1178.8166.30000112.4F141 L242 A269 V270 S277 C305F141-V273 HydrophobicContact CE2-CG2 4.08Å; F141-V273 HydrophobicContact CZ-CB 4.35Å; F141-V273 HydrophobicContact CZ-CG2 3.74Å; L242-V273 HydrophobicContact CD1-CG1 3.84Å; L242-V273 HydrophobicContact CD2-CG1 4.44Å; A269-V273 PolarHBondContact O-N 2.9Å; V270-V273 PolarHBondContact O-N 3.3Å; V273-S277 VanDerWaalsContact O-CB 3.22Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 2.68Å; V273-S277 PolarHBondContact O-OG 3.24Å; V273-S277 VanDerWaalsContact O-OG 3.1Å; V273-C305 HydrophobicContact CG2-CB 3.69Å
274T92.5Very high90.7Very high63 Ų6349.7 Ų49.739%0.38729%0.287SS..Hα-helixtrans-63.8-45.217655.90000110.7L242 V270 T271 S277 A278L242-T274 HydrophobicContact CD1-CG2 4.29Å; V270-T274 HydrophobicContact CG1-CG2 4.06Å; V270-T274 WeakPolarHBondContact O-CG2 3.41Å; V270-T274 PolarHBondContact O-N 2.95Å; V270-T274 PolarHBondContact O-OG1 2.96Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å; T271-T274 PolarHBondContact O-OG1 3.42Å; T274-S277 PolarHBondContact O-N 3.35Å; T274-S277 PolarHBondContact O-OG 3.25Å; T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.11Å
275F94.1Very high90.8Very high141 Ų14152 Ų5262%0.61829%0.291SS*.Hα-helixtrans-60-51.7175.6-179.7-101.3000112.7T271 L272 S277 A278 V279T271-F275 VanDerWaalsContact O-CB 3.25Å; T271-F275 WeakPolarHBondContact O-CB 3.49Å; T271-F275 PolarHBondContact O-N 3.46Å; L272-F275 PolarHBondContact O-N 3.49Å; F275-S277 VanDerWaalsContact C-N 3.32Å; F275-S277 PolarHBondContact O-N 3.07Å; F275-A278 PolarHBondContact O-N 3.02Å; F275-V279 HydrophobicContact CZ-CG2 4.4Å; F275-V279 PolarHBondContact O-N 3.49Å
276S94.3Very high90.9Very high18 Ų1858.4 Ų58.413%0.12632%0.316CS..Hα-helixtrans-64.2-35179.5-68.50000112.8L272 V279 A280 C305L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.77Å; L272-S276 PolarHBondContact O-OG 3.44Å; S276-V279 PolarHBondContact O-N 2.9Å; S276-A280 VanDerWaalsContact O-CB 3.28Å; S276-A280 WeakPolarHBondContact O-CB 3.29Å; S276-A280 PolarHBondContact O-N 2.87Å; S276-C305 VanDerWaalsContact CB-SG 3.52Å
277S92.3Very high90.8Very high41 Ų4161.1 Ų61.129%0.28733%0.331SS..Hα-helixtrans-67.7-40173.173.50000112.3V273 T274 F275 V279 A280 F281V273-S277 VanDerWaalsContact O-CB 3.22Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 2.68Å; V273-S277 PolarHBondContact O-OG 3.24Å; V273-S277 VanDerWaalsContact O-OG 3.1Å; T274-S277 PolarHBondContact O-N 3.35Å; T274-S277 PolarHBondContact O-OG 3.25Å; F275-S277 VanDerWaalsContact C-N 3.32Å; F275-S277 PolarHBondContact O-N 3.07Å; S277-V279 PolarHBondContact O-N 3.42Å; S277-A280 PolarHBondContact O-N 3.19Å; S277-A280 VanDerWaalsContact O-N 3.15Å; S277-F281 WeakPolarHBondContact O-CD2 3.38Å; S277-F281 PolarHBondContact O-N 3.42Å
278A92.8Very high90.3Very high66 Ų6664.3 Ų64.355%0.54534%0.344SS..Hα-helixtrans-65-22177.300000113T274 F275 P282T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.11Å; F275-A278 PolarHBondContact O-N 3.02Å; A278-P282 WeakPolarHBondContact O-CD 3.32Å; A278-P282 VanDerWaalsContact O-CG 3.29Å; A278-P282 WeakPolarHBondContact O-CG 3.28Å
279V94.4Very high89.7Confident68 Ų6864.5 Ų64.541%0.41235%0.352SS..Hα-helixtrans-86.5-44168.8178.50000111.5F275 S276 S277 V283 T297F275-V279 HydrophobicContact CZ-CG2 4.4Å; F275-V279 PolarHBondContact O-N 3.49Å; S276-V279 PolarHBondContact O-N 2.9Å; S277-V279 PolarHBondContact O-N 3.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.18Å; V279-V283 PolarHBondContact O-N 3.01Å; V279-T297 HydrophobicContact CG1-CG2 4.24Å
280A91.6Very high89.4Confident14 Ų1472.6 Ų72.612%0.11638%0.381CS..Hα-helixtrans-70.1-39.3-17400000114S276 S277 V283 F284 T297 A301S276-A280 VanDerWaalsContact O-CB 3.28Å; S276-A280 WeakPolarHBondContact O-CB 3.29Å; S276-A280 PolarHBondContact O-N 2.87Å; S277-A280 PolarHBondContact O-N 3.19Å; S277-A280 VanDerWaalsContact O-N 3.15Å; A280-V283 PolarHBondContact O-N 2.58Å; A280-F284 VanDerWaalsContact O-CB 3.31Å; A280-F284 WeakPolarHBondContact O-CB 3.18Å; A280-F284 PolarHBondContact O-N 3.4Å; A280-T297 HydrophobicContact CB-CG2 4.22Å; A280-A301 HydrophobicContact CB-CB 4.48Å
281F89.7Confident88.8Confident104 Ų10474.5 Ų74.546%0.45639%0.394SS..Hα-helixtrans-62.9-50-179.6-87.2-74.8000112.8A235 S277 V283 F284 F285A235-F281 HydrophobicContact CB-CE1 4.17Å; A235-F281 HydrophobicContact CB-CE2 4.35Å; A235-F281 HydrophobicContact CB-CZ 3.7Å; S277-F281 WeakPolarHBondContact O-CD2 3.38Å; S277-F281 PolarHBondContact O-N 3.42Å; F281-V283 PolarHBondContact O-N 2.9Å; F281-F284 PolarHBondContact O-N 3.49Å; F281-F285 PolarHBondContact O-N 3.28Å
282P90.8Very high88.7Confident57 Ų5773.5 Ų73.537%0.3739%0.386SS..Hα-helixtrans-61.7-39.1174.9-26.136.5000113.5A278 F285 F286A278-P282 WeakPolarHBondContact O-CD 3.32Å; A278-P282 VanDerWaalsContact O-CG 3.29Å; A278-P282 WeakPolarHBondContact O-CG 3.28Å; P282-F285 PolarHBondContact O-N 2.91Å; P282-F286 HydrophobicContact CB-CD2 4.08Å; P282-F286 HydrophobicContact CB-CE2 4.37Å; P282-F286 WeakPolarHBondContact O-CB 3.37Å; P282-F286 WeakPolarHBondContact O-CD2 3.28Å; P282-F286 PolarHBondContact O-N 2.84Å
283V90.6Very high88.5Confident22 Ų2275.2 Ų75.213%0.13340%0.395CS..Hα-helixtrans-64.1-44.7176.5170.40000110.9V279 A280 F281 F285 L287 L293 V294 T297V279-V283 WeakPolarHBondContact O-CG2 3.18Å; V279-V283 PolarHBondContact O-N 3.01Å; A280-V283 PolarHBondContact O-N 2.58Å; F281-V283 PolarHBondContact O-N 2.9Å; V283-F285 VanDerWaalsContact C-N 3.35Å; V283-F285 PolarHBondContact O-N 3.4Å; V283-L287 HydrophobicContact CG1-CB 4.49Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 HydrophobicContact CG2-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CA 3.26Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 PolarHBondContact O-N 3.2Å; V283-L293 HydrophobicContact CG1-CG 4.15Å; V283-V294 HydrophobicContact CG1-CG2 4.28Å; V283-T297 HydrophobicContact CB-CG2 4.19Å; V283-T297 HydrophobicContact CG1-CG2 4.21Å; V283-T297 HydrophobicContact CG2-CG2 4.28Å
284F85.9Confident88.3Confident56 Ų5674.8 Ų74.825%0.24639%0.392CS..Hα-helixtrans-60.5-41.6176.8177.1-93.5000112.7L231 A280 F281 V294L231-F284 HydrophobicContact CD1-CE1 3.77Å; L231-F284 HydrophobicContact CD1-CZ 4.27Å; A280-F284 VanDerWaalsContact O-CB 3.31Å; A280-F284 WeakPolarHBondContact O-CB 3.18Å; A280-F284 PolarHBondContact O-N 3.4Å; F281-F284 PolarHBondContact O-N 3.49Å; F284-V294 HydrophobicContact CB-CG1 4.37Å; F284-V294 HydrophobicContact CD2-CG1 3.78Å
285F83.9Confident88.2Confident120 Ų12072.5 Ų72.553%0.52638%0.376SS..Hα-helixtrans-79.1-55-177.1-170.1-98.2000112.9F281 P282 V283F281-F285 PolarHBondContact O-N 3.28Å; P282-F285 PolarHBondContact O-N 2.91Å; V283-F285 VanDerWaalsContact C-N 3.35Å; V283-F285 PolarHBondContact O-N 3.4Å
286F86.5Confident88.1Confident157 Ų15768 Ų6869%0.68936%0.362SS*.Hα-helixtrans-82-27.8-173.4-64.8-68.9000113.9P282P282-F286 HydrophobicContact CB-CD2 4.08Å; P282-F286 HydrophobicContact CB-CE2 4.37Å; P282-F286 WeakPolarHBondContact O-CB 3.37Å; P282-F286 WeakPolarHBondContact O-CD2 3.28Å; P282-F286 PolarHBondContact O-N 2.84Å
287L86.6Confident88Confident65 Ų6568.6 Ų68.634%0.3437%0.365SS..THydrogen-bonded Turntrans-109.222.2-174.1-53.2178000112.9V283 A289 W290 L293 V294V283-L287 HydrophobicContact CG1-CB 4.49Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 HydrophobicContact CG2-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CA 3.26Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 PolarHBondContact O-N 3.2Å; L287-A289 PolarHBondContact O-N 3.1Å; L287-W290 PolarHBondContact O-N 2.83Å; L287-L293 HydrophobicContact CB-CD2 4.44Å; L287-L293 HydrophobicContact CD1-CD2 3.57Å; L287-V294 WeakPolarHBondContact O-CG2 3.46Å
288H77.4Confident88Confident134 Ų13467.7 Ų67.762%0.6236%0.358SS*.THydrogen-bonded Turntrans-50.5-30.1176.8-16984.8000113.9W290H288-W290 PolarHBondContact O-N 3.38Å; H288-W290 VanDerWaalsContact O-N 3.16Å
289A77Confident88.1Confident68 Ų6864.6 Ų64.656%0.56233%0.332SS*.THydrogen-bonded Turntrans-65-11.6174.700000115L287 P291L287-A289 PolarHBondContact O-N 3.1Å; A289-P291 WeakPolarHBondContact O-CD 3.45Å
290W84.1Confident88.1Confident177 Ų17762.4 Ų62.467%0.6732%0.324SS*.  trans-119.273.9-176.3-61.896.2000111L287 H288 N292 L293 V294L287-W290 PolarHBondContact O-N 2.83Å; H288-W290 PolarHBondContact O-N 3.38Å; H288-W290 VanDerWaalsContact O-N 3.16Å; W290-N292 VanDerWaalsContact C-N 3.26Å; W290-N292 PolarHBondContact O-N 3.49Å; W290-N292 VanDerWaalsContact O-N 3.14Å; W290-L293 HydrophobicContact CB-CB 4.13Å; W290-L293 PolarHBondContact O-N 2.97Å; W290-V294 PolarHBondContact O-N 3.48Å; W290-V294 VanDerWaalsContact O-N 3.14Å
291P81.1Confident88.3Confident47 Ų4762.6 Ų62.631%0.30533%0.325SS..Hα-helixtrans-58.6-34.1-171.221.6-33.8000113.6L49 A289 L293 V294 Y295L49-P291 HydrophobicContact CD1-CB 4.35Å; A289-P291 WeakPolarHBondContact O-CD 3.45Å; P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 3.43Å; P291-V294 PolarHBondContact O-N 2.88Å; P291-Y295 VanDerWaalsContact O-CB 3.26Å; P291-Y295 WeakPolarHBondContact O-CB 3.26Å; P291-Y295 PolarHBondContact O-N 2.98Å
292N88.4Confident88.5Confident56 Ų5658.4 Ų58.430%0.29931%0.307SS..Hα-helixtrans-57.4-41.9173.2-77.7-68.1000112.9L49 S50 L53 W290 S296L49-N292 WeakPolarHBondContact CA-OD1 3.48Å; S50-N292 PolarHBondContact N-OD1 3.48Å; L53-N292 HydrophobicContact CD2-CB 4.02Å; L53-N292 VanDerWaalsContact CD2-O 3.27Å; L53-N292 WeakPolarHBondContact CD2-O 3.45Å; W290-N292 VanDerWaalsContact C-N 3.26Å; W290-N292 PolarHBondContact O-N 3.49Å; W290-N292 VanDerWaalsContact O-N 3.14Å; N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.24Å; N292-S296 PolarHBondContact O-N 2.93Å; N292-S296 VanDerWaalsContact O-N 3.13Å
293L90.6Very high88.8Confident79 Ų7957 Ų5741%0.41430%0.295SS..Hα-helixtrans-73.2-48179.6179.457.9000110.7V283 L287 W290 P291 Y295 S296 T297V283-L293 HydrophobicContact CG1-CG 4.15Å; L287-L293 HydrophobicContact CB-CD2 4.44Å; L287-L293 HydrophobicContact CD1-CD2 3.57Å; W290-L293 HydrophobicContact CB-CB 4.13Å; W290-L293 PolarHBondContact O-N 2.97Å; P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 3.43Å; L293-Y295 PolarHBondContact O-N 3.48Å; L293-S296 PolarHBondContact O-N 3.06Å; L293-T297 PolarHBondContact O-N 3.48Å; L293-T297 PolarHBondContact O-OG1 3.34Å
294V89.6Confident89Confident17 Ų1760.3 Ų60.310%0.10331%0.311CS..Hα-helixtrans-58.4-47.5178.7178.70000111.4V283 F284 L287 W290 P291 T297 V298V283-V294 HydrophobicContact CG1-CG2 4.28Å; F284-V294 HydrophobicContact CB-CG1 4.37Å; F284-V294 HydrophobicContact CD2-CG1 3.78Å; L287-V294 WeakPolarHBondContact O-CG2 3.46Å; W290-V294 PolarHBondContact O-N 3.48Å; W290-V294 VanDerWaalsContact O-N 3.14Å; P291-V294 PolarHBondContact O-N 2.88Å; V294-T297 PolarHBondContact O-N 3.22Å; V294-V298 HydrophobicContact CG1-CG2 4.34Å; V294-V298 WeakPolarHBondContact O-CB 3.22Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.33Å
295Y89.4Confident89.5Confident15 Ų1558.2 Ų58.26%0.05930%0.304CS..Hα-helixtrans-60.4-48.2176.3176.9-105.7000112L49 L53 V57 G106 F109 A110 P291 L293 T297 V298 A299L49-Y295 HydrophobicContact CD1-CG 4.41Å; L49-Y295 HydrophobicContact CD2-CD1 3.63Å; L49-Y295 HydrophobicContact CD2-CD2 4.38Å; L49-Y295 HydrophobicContact CD2-CE1 4.03Å; L49-Y295 HydrophobicContact CD2-CG 3.83Å; L49-Y295 HydrophobicContact CG-CD1 4.36Å; L53-Y295 HydrophobicContact CD2-CD1 4.33Å; L53-Y295 HydrophobicContact CG-CD1 4.48Å; V57-Y295 HydrophobicContact CB-CE1 3.79Å; V57-Y295 HydrophobicContact CG1-CE1 3.79Å; V57-Y295 WeakPolarHBondContact CG1-OH 3.31Å; V57-Y295 HydrophobicContact CG2-CE1 3.86Å; G106-Y295 PolarHBondContact O-OH 3.44Å; F109-Y295 HydrophobicContact CB-CD2 4Å; F109-Y295 HydrophobicContact CB-CE2 3.84Å; A110-Y295 HydrophobicContact CB-CE1 4.46Å; A110-Y295 HydrophobicContact CB-CE2 3.7Å; A110-Y295 WeakPolarHBondContact CB-OH 3.44Å; P291-Y295 VanDerWaalsContact O-CB 3.26Å; P291-Y295 WeakPolarHBondContact O-CB 3.26Å; P291-Y295 PolarHBondContact O-N 2.98Å; L293-Y295 PolarHBondContact O-N 3.48Å; Y295-T297 PolarHBondContact O-N 3.36Å; Y295-V298 PolarHBondContact O-N 3.05Å; Y295-A299 HydrophobicContact CD2-CB 4.42Å; Y295-A299 HydrophobicContact CE1-CB 4.48Å; Y295-A299 HydrophobicContact CE2-CB 3.95Å; Y295-A299 VanDerWaalsContact O-CB 3.25Å; Y295-A299 WeakPolarHBondContact O-CB 3.46Å; Y295-A299 PolarHBondContact O-N 2.92Å
296S92.4Very high90Very high47 Ų4753 Ų5333%0.32928%0.282SS..Hα-helixtrans-58.8-47.3179.6-171.60000111.9N292 L293 G300N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.24Å; N292-S296 PolarHBondContact O-N 2.93Å; N292-S296 VanDerWaalsContact O-N 3.13Å; L293-S296 PolarHBondContact O-N 3.06Å; S296-G300 WeakPolarHBondContact O-CA 3.35Å; S296-G300 PolarHBondContact O-N 3.41Å
297T93.6Very high90.4Very high30 Ų3048 Ų4818%0.18426%0.262CS..Hα-helixtrans-66.8-44.8179.3-59.10000112.2V279 A280 V283 L293 V294 Y295 A301V279-T297 HydrophobicContact CG1-CG2 4.24Å; A280-T297 HydrophobicContact CB-CG2 4.22Å; V283-T297 HydrophobicContact CB-CG2 4.19Å; V283-T297 HydrophobicContact CG1-CG2 4.21Å; V283-T297 HydrophobicContact CG2-CG2 4.28Å; L293-T297 PolarHBondContact O-N 3.48Å; L293-T297 PolarHBondContact O-OG1 3.34Å; V294-T297 PolarHBondContact O-N 3.22Å; Y295-T297 PolarHBondContact O-N 3.36Å; T297-A301 WeakPolarHBondContact O-CB 3.38Å; T297-A301 PolarHBondContact O-N 2.71Å
298V92.2Very high90.8Very high22 Ų2246.3 Ų46.313%0.13326%0.258CS..Hα-helixtrans-69.5-50-178.7172.50000111.4V294 Y295 A301 I302V294-V298 HydrophobicContact CG1-CG2 4.34Å; V294-V298 WeakPolarHBondContact O-CB 3.22Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.33Å; Y295-V298 PolarHBondContact O-N 3.05Å; V298-A301 PolarHBondContact O-N 2.99Å; V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.05Å
299A93.8Very high91.5Very high1 Ų140.1 Ų40.11%0.00823%0.229CC..Hα-helixtrans-68.8-35.9179.800000112.2V57 Y295 I302 F303V57-A299 HydrophobicContact CG1-CB 3.57Å; Y295-A299 HydrophobicContact CD2-CB 4.42Å; Y295-A299 HydrophobicContact CE1-CB 4.48Å; Y295-A299 HydrophobicContact CE2-CB 3.95Å; Y295-A299 VanDerWaalsContact O-CB 3.25Å; Y295-A299 WeakPolarHBondContact O-CB 3.46Å; Y295-A299 PolarHBondContact O-N 2.92Å; A299-I302 PolarHBondContact O-N 3.19Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.12Å
300G94.4Very high92.3Very high23 Ų2336.9 Ų36.924%0.23720%0.202CC..Hα-helixtrans-63.7-42.3172.300000112.8S296 F303 I304S296-G300 WeakPolarHBondContact O-CA 3.35Å; S296-G300 PolarHBondContact O-N 3.41Å; G300-F303 PolarHBondContact O-N 3.34Å; G300-I304 WeakPolarHBondContact O-CB 3.35Å; G300-I304 VanDerWaalsContact O-CG1 3.3Å; G300-I304 WeakPolarHBondContact O-CG1 3.07Å; G300-I304 PolarHBondContact O-N 2.9Å
301A95.4Very high92.7Very high17 Ų1730.2 Ų30.214%0.1418%0.182CC..Hα-helixtrans-61.7-47.5173.400000111.8A280 T297 V298 F303 I304 C305A280-A301 HydrophobicContact CB-CB 4.48Å; T297-A301 WeakPolarHBondContact O-CB 3.38Å; T297-A301 PolarHBondContact O-N 2.71Å; V298-A301 PolarHBondContact O-N 2.99Å; A301-F303 VanDerWaalsContact C-N 3.32Å; A301-F303 PolarHBondContact O-N 3.4Å; A301-I304 PolarHBondContact O-N 3.5Å; A301-C305 VanDerWaalsContact O-CB 3.24Å; A301-C305 WeakPolarHBondContact O-CB 3.33Å; A301-C305 PolarHBondContact O-N 3.19Å; A301-C305 PolarHBondContact O-SG 3.24Å
302I95.1Very high93.1Very high16 Ų1632.7 Ų32.78%0.08219%0.191CC..Hα-helixtrans-56.3-47175.4-69164.7000110.5F109 L133 V298 A299 T306F109-I302 HydrophobicContact CD2-CD1 4.48Å; F109-I302 HydrophobicContact CE2-CD1 4.43Å; L133-I302 HydrophobicContact CD1-CD1 3.85Å; L133-I302 HydrophobicContact CD1-CG1 3.96Å; L133-I302 HydrophobicContact CD2-CD1 4.34Å; V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.05Å; A299-I302 PolarHBondContact O-N 3.19Å; I302-T306 WeakPolarHBondContact O-CB 3.4Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 VanDerWaalsContact O-N 3.09Å; I302-T306 PolarHBondContact O-OG1 3.23Å
303F96.3Very high93.1Very high28 Ų2830.5 Ų30.512%0.12318%0.179CC..Hα-helixtrans-62-56.2179.3176-112000112.3M60 L61 Y103 A299 G300 A301 C305 T306 L307M60-F303 HydrophobicContact CB-CD1 4.25Å; M60-F303 HydrophobicContact CB-CD2 4.28Å; M60-F303 HydrophobicContact CB-CE1 4.08Å; M60-F303 HydrophobicContact CB-CE2 4.13Å; M60-F303 HydrophobicContact CB-CG 4.35Å; M60-F303 HydrophobicContact CB-CZ 4.02Å; M60-F303 HydrophobicContact CG-CE1 4.39Å; M60-F303 WeakPolarHBondContact O-CE2 3.37Å; M60-F303 HydrophobicContact SD-CE1 3.93Å; M60-F303 HydrophobicContact SD-CZ 3.97Å; L61-F303 HydrophobicContact CD2-CB 4.26Å; Y103-F303 HydrophobicContact CE1-CD2 4.01Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.12Å; G300-F303 PolarHBondContact O-N 3.34Å; A301-F303 VanDerWaalsContact C-N 3.32Å; A301-F303 PolarHBondContact O-N 3.4Å; F303-C305 PolarHBondContact O-N 2.87Å; F303-T306 PolarHBondContact O-N 2.97Å; F303-L307 HydrophobicContact CE1-CD2 4.02Å; F303-L307 HydrophobicContact CE2-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CD2 3.71Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 PolarHBondContact O-N 3.48Å
304I95.8Very high93Very high91 Ų9126.8 Ų26.847%0.46716%0.16SC..Hα-helixtrans-61.8-45.4-175.5-67.6167.1000111.2L272 G300 A301 A308L272-I304 HydrophobicContact CD1-CG2 4.28Å; L272-I304 HydrophobicContact CD2-CG2 4.37Å; G300-I304 WeakPolarHBondContact O-CB 3.35Å; G300-I304 VanDerWaalsContact O-CG1 3.3Å; G300-I304 WeakPolarHBondContact O-CG1 3.07Å; G300-I304 PolarHBondContact O-N 2.9Å; A301-I304 PolarHBondContact O-N 3.5Å; I304-A308 VanDerWaalsContact O-CB 3.29Å; I304-A308 WeakPolarHBondContact O-CB 3.22Å; I304-A308 PolarHBondContact O-N 3.4Å
305C95.1Very high93Very high13 Ų1329 Ų299%0.08817%0.173CC..Hα-helixtrans-64.3-45.6179.8-66.80000112.3V273 S276 A301 F303 T309V273-C305 HydrophobicContact CG2-CB 3.69Å; S276-C305 VanDerWaalsContact CB-SG 3.52Å; A301-C305 VanDerWaalsContact O-CB 3.24Å; A301-C305 WeakPolarHBondContact O-CB 3.33Å; A301-C305 PolarHBondContact O-N 3.19Å; A301-C305 PolarHBondContact O-SG 3.24Å; F303-C305 PolarHBondContact O-N 2.87Å; C305-T309 VanDerWaalsContact O-CB 3.29Å; C305-T309 WeakPolarHBondContact O-CB 3.46Å; C305-T309 PolarHBondContact O-N 3.21Å; C305-T309 PolarHBondContact O-OG1 3Å
306T94.8Very high92.8Very high11 Ų1130.8 Ų30.87%0.06719%0.187CC..Hα-helixtrans-69.4-42.9-178.4-52.30000110.9S99 T102 Y103 I302 F303 T309 N310S99-T306 VanDerWaalsContact CB-CG2 3.45Å; T102-T306 PolarHBondContact OG1-OG1 3.05Å; Y103-T306 HydrophobicContact CD2-CG2 4.46Å; Y103-T306 HydrophobicContact CE1-CG2 3.88Å; Y103-T306 HydrophobicContact CE2-CG2 3.79Å; Y103-T306 VanDerWaalsContact CZ-CG2 3.46Å; I302-T306 WeakPolarHBondContact O-CB 3.4Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 VanDerWaalsContact O-N 3.09Å; I302-T306 PolarHBondContact O-OG1 3.23Å; F303-T306 PolarHBondContact O-N 2.97Å; T306-T309 PolarHBondContact O-N 2.92Å; T306-N310 WeakPolarHBondContact O-CB 3.38Å; T306-N310 PolarHBondContact O-N 3.32Å
307L95.8Very high92.4Very high50 Ų5029.2 Ų29.226%0.26217%0.174SC..Hα-helixtrans-60.6-52.8177.4175.760000111.5L67 Y103 F303 T309 N310 C311L67-L307 HydrophobicContact CD2-CD1 3.37Å; Y103-L307 PolarHBondContact OH-N 3.44Å; F303-L307 HydrophobicContact CE1-CD2 4.02Å; F303-L307 HydrophobicContact CE2-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CD2 3.71Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 PolarHBondContact O-N 3.48Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 3.38Å; L307-N310 PolarHBondContact O-N 3.01Å; L307-C311 WeakPolarHBondContact O-CB 3.35Å; L307-C311 PolarHBondContact O-N 3.44Å; L307-C311 PolarHBondContact O-SG 3.02Å; L307-C311 VanDerWaalsContact O-SG 3.35Å
308A94.5Very high92.1Very high31 Ų3130.3 Ų30.326%0.25618%0.178SC..Hα-helixtrans-63.5-40.2-179.100000112.1L272 I304 C311 M312L272-A308 HydrophobicContact CD2-CB 3.35Å; I304-A308 VanDerWaalsContact O-CB 3.29Å; I304-A308 WeakPolarHBondContact O-CB 3.22Å; I304-A308 PolarHBondContact O-N 3.4Å; A308-C311 PolarHBondContact O-N 3.22Å; A308-M312 WeakPolarHBondContact O-CB 3.38Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.49Å
309T92.8Very high91.7Very high3 Ų332.6 Ų32.62%0.01819%0.193CC..Hα-helixtrans-62.9-47.6176.4-57.60000111.2V140 I144 A269 C305 T306 L307 M312 L313V140-T309 HydrophobicContact CG1-CG2 3.94Å; I144-T309 HydrophobicContact CD1-CG2 4.04Å; A269-T309 HydrophobicContact CB-CG2 4.13Å; C305-T309 VanDerWaalsContact O-CB 3.29Å; C305-T309 WeakPolarHBondContact O-CB 3.46Å; C305-T309 PolarHBondContact O-N 3.21Å; C305-T309 PolarHBondContact O-OG1 3Å; T306-T309 PolarHBondContact O-N 2.92Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 3.38Å; T309-M312 PolarHBondContact O-N 2.94Å; T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 WeakPolarHBondContact O-CB 3.5Å; T309-L313 WeakPolarHBondContact O-CD1 3.17Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.21Å; T309-L313 PolarHBondContact O-N 3.46Å; T309-L313 VanDerWaalsContact O-N 3.11Å
310N93.7Very high91.2Very high0 Ų035.4 Ų35.40%021%0.206CC..Hα-helixtrans-62-45.7176-81-3.2000111.5F71 S99 T306 L307 M312 L313 F314F71-N310 HydrophobicContact CD2-CB 4.4Å; F71-N310 HydrophobicContact CE2-CB 4.31Å; S99-N310 VanDerWaalsContact CB-ND2 3.32Å; S99-N310 WeakPolarHBondContact CB-ND2 3.45Å; S99-N310 PolarHBondContact OG-ND2 3.07Å; T306-N310 WeakPolarHBondContact O-CB 3.38Å; T306-N310 PolarHBondContact O-N 3.32Å; L307-N310 PolarHBondContact O-N 3.01Å; N310-M312 PolarHBondContact O-N 3.1Å; N310-L313 PolarHBondContact O-N 3.34Å; N310-F314 WeakPolarHBondContact O-CB 3.15Å; N310-F314 VanDerWaalsContact O-CD2 3.32Å; N310-F314 WeakPolarHBondContact O-CD2 3.1Å; N310-F314 PolarHBondContact O-N 2.91Å
311C92.1Very high90.7Very high38 Ų3836 Ų3626%0.25720%0.201SC..Hα-helixtrans-60.4-47.7177.9-73.60000112.3L307 A308 L313 F314 V315L307-C311 WeakPolarHBondContact O-CB 3.35Å; L307-C311 PolarHBondContact O-N 3.44Å; L307-C311 PolarHBondContact O-SG 3.02Å; L307-C311 VanDerWaalsContact O-SG 3.35Å; A308-C311 PolarHBondContact O-N 3.22Å; C311-L313 PolarHBondContact O-N 3.41Å; C311-F314 PolarHBondContact O-N 3.27Å; C311-V315 HydrophobicContact CB-CG2 4.16Å; C311-V315 VanDerWaalsContact O-CB 3.22Å; C311-V315 WeakPolarHBondContact O-CB 3.4Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.89Å
312M89.6Confident90.2Very high98 Ų9842.8 Ų42.848%0.48322%0.223SC..Hα-helixtrans-69.4-14.7179.9-68.1-66.6-176.100114.1T265 A308 T309 N310T265-M312 HydrophobicContact CG2-CB 3.76Å; T265-M312 WeakPolarHBondContact CG2-O 3.45Å; T265-M312 PolarHBondContact OG1-O 2.96Å; A308-M312 WeakPolarHBondContact O-CB 3.38Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.49Å; T309-M312 PolarHBondContact O-N 2.94Å; N310-M312 PolarHBondContact O-N 3.1Å
313L88Confident89.7Confident10 Ų1047.8 Ų47.85%0.05225%0.246CC..Hα-helixtrans-90.8-45.2171.3-72.4167.6000112.6T95 I144 T265 T309 N310 C311 Q317T95-L313 HydrophobicContact CG2-CD1 3.91Å; I144-L313 HydrophobicContact CD1-CD1 3.75Å; I144-L313 HydrophobicContact CG1-CD1 4.11Å; I144-L313 HydrophobicContact CG1-CD2 4.4Å; T265-L313 HydrophobicContact CG2-CD2 3.72Å; T265-L313 HydrophobicContact CG2-CG 3.89Å; T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 WeakPolarHBondContact O-CB 3.5Å; T309-L313 WeakPolarHBondContact O-CD1 3.17Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.21Å; T309-L313 PolarHBondContact O-N 3.46Å; T309-L313 VanDerWaalsContact O-N 3.11Å; N310-L313 PolarHBondContact O-N 3.34Å; C311-L313 PolarHBondContact O-N 3.41Å; L313-Q317 PolarHBondContact O-NE2 3.37Å
314F89.3Confident88.8Confident1 Ų151.5 Ų51.50%0.00426%0.262CS..Hα-helixtrans-100-30.2-166.9-70.6-76.5000114.5F71 N92 L96 N310 C311 Q317 L318F71-F314 HydrophobicContact CB-CB 4.38Å; F71-F314 HydrophobicContact CB-CD1 4.25Å; F71-F314 HydrophobicContact CB-CD2 4.35Å; F71-F314 HydrophobicContact CB-CG 4.06Å; F71-F314 HydrophobicContact CD1-CB 3.71Å; F71-F314 HydrophobicContact CD1-CG 4.32Å; F71-F314 HydrophobicContact CD2-CB 3.84Å; F71-F314 HydrophobicContact CD2-CD2 4.04Å; F71-F314 HydrophobicContact CD2-CG 4.06Å; F71-F314 HydrophobicContact CE1-CB 3.82Å; F71-F314 HydrophobicContact CE2-CB 3.95Å; F71-F314 HydrophobicContact CG-CB 3.73Å; F71-F314 HydrophobicContact CG-CD1 4.5Å; F71-F314 HydrophobicContact CG-CD2 4.28Å; F71-F314 AromaticContact CG-CG 3.92Å; F71-F314 HydrophobicContact CG-CG 3.92Å; F71-F314 HydrophobicContact CZ-CB 3.94Å; N92-F314 HydrophobicContact CB-CE1 3.75Å; N92-F314 HydrophobicContact CB-CZ 3.77Å; L96-F314 HydrophobicContact CD1-CE1 3.87Å; L96-F314 HydrophobicContact CD1-CE2 4.05Å; L96-F314 HydrophobicContact CD1-CZ 3.51Å; L96-F314 HydrophobicContact CD2-CD2 4.07Å; L96-F314 HydrophobicContact CD2-CE2 3.53Å; L96-F314 HydrophobicContact CD2-CZ 3.91Å; L96-F314 HydrophobicContact CG-CE1 4.37Å; L96-F314 HydrophobicContact CG-CE2 3.66Å; L96-F314 HydrophobicContact CG-CZ 3.53Å; N310-F314 WeakPolarHBondContact O-CB 3.15Å; N310-F314 VanDerWaalsContact O-CD2 3.32Å; N310-F314 WeakPolarHBondContact O-CD2 3.1Å; N310-F314 PolarHBondContact O-N 2.91Å; C311-F314 PolarHBondContact O-N 3.27Å; F314-Q317 PolarHBondContact O-N 3.11Å; F314-Q317 VanDerWaalsContact O-N 3.16Å; F314-L318 WeakPolarHBondContact O-CB 3.24Å; F314-L318 PolarHBondContact O-N 3.3Å
315V89.6Confident88.2Confident64 Ų6451 Ų5139%0.38826%0.257SS..Hα-helixtrans-60.6-44.4176.3176.90000111.7F71 C311 Q317 L318 T319F71-V315 HydrophobicContact CZ-CG2 4.4Å; C311-V315 HydrophobicContact CB-CG2 4.16Å; C311-V315 VanDerWaalsContact O-CB 3.22Å; C311-V315 WeakPolarHBondContact O-CB 3.4Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.89Å; V315-Q317 VanDerWaalsContact C-N 3.27Å; V315-Q317 PolarHBondContact O-N 3.1Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.17Å; V315-T319 HydrophobicContact CG1-CG2 4.18Å; V315-T319 WeakPolarHBondContact O-CG2 3.1Å; V315-T319 PolarHBondContact O-N 3.35Å; V315-T319 PolarHBondContact O-OG1 2.96Å
316P85.4Confident87.5Confident53 Ų5355.5 Ų55.534%0.34428%0.278SS..Hα-helixtrans-62.4-30.4175.5-23.835.3000114T319 Q320P316-T319 PolarHBondContact O-OG1 3.01Å; P316-Q320 WeakPolarHBondContact O-CB 3.4Å; P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 2.91Å
317Q84.3Confident86.7Confident14 Ų1460.4 Ų60.47%0.06530%0.303CS..Hα-helixtrans-74.1-37.7175.9-65.1178.369.300111.3S87 N92 L313 F314 V315 W321S87-Q317 PolarHBondContact OG-OE1 3.08Å; N92-Q317 PolarHBondContact ND2-OE1 3.29Å; L313-Q317 PolarHBondContact O-NE2 3.37Å; F314-Q317 PolarHBondContact O-N 3.11Å; F314-Q317 VanDerWaalsContact O-N 3.16Å; V315-Q317 VanDerWaalsContact C-N 3.27Å; V315-Q317 PolarHBondContact O-N 3.1Å; Q317-W321 VanDerWaalsContact O-CB 3.29Å; Q317-W321 WeakPolarHBondContact O-CB 3.31Å; Q317-W321 PolarHBondContact O-N 3.09Å
318L85.6Confident85.5Confident52 Ų5265.6 Ų65.627%0.27233%0.326SS..Hα-helixtrans-71.6-40.7178.5-176.465.3000112.3F74 F314 V315 W321 R322F74-L318 HydrophobicContact CD2-CD1 3.82Å; F74-L318 HydrophobicContact CE2-CD1 3.48Å; F74-L318 VanDerWaalsContact CE2-CD1 3.48Å; F74-L318 HydrophobicContact CZ-CD1 3.92Å; F314-L318 WeakPolarHBondContact O-CB 3.24Å; F314-L318 PolarHBondContact O-N 3.3Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.17Å; L318-W321 HydrophobicContact CD1-CE3 4.04Å; L318-W321 HydrophobicContact CD1-CZ3 4.41Å; L318-W321 PolarHBondContact O-N 3.34Å; L318-R322 PolarHBondContact O-N 3.43Å
319T85.4Confident84.5Confident70 Ų7069.9 Ų69.943%0.42935%0.345SS..Hα-helixtrans-68.1-44.7176.953.40000111.7V315 P316 W321 R322 Q323V315-T319 HydrophobicContact CG1-CG2 4.18Å; V315-T319 WeakPolarHBondContact O-CG2 3.1Å; V315-T319 PolarHBondContact O-N 3.35Å; V315-T319 PolarHBondContact O-OG1 2.96Å; P316-T319 PolarHBondContact O-OG1 3.01Å; T319-W321 PolarHBondContact O-N 3.05Å; T319-R322 PolarHBondContact O-N 2.99Å; T319-Q323 WeakPolarHBondContact O-CG 3.29Å; T319-Q323 PolarHBondContact O-N 3.09Å
320Q83.3Confident83.2Confident60 Ų6072 Ų7228%0.2836%0.356SS..Hα-helixtrans-59.5-45.4173-73.6173.418.500111.4P316 R322 Q323 F324P316-Q320 WeakPolarHBondContact O-CB 3.4Å; P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 2.91Å; Q320-R322 PolarHBondContact O-N 3.38Å; Q320-Q323 PolarHBondContact O-N 3.44Å; Q320-F324 WeakPolarHBondContact O-CD2 3.45Å; Q320-F324 PolarHBondContact O-N 2.87Å
321W84.1Confident81.5Confident37 Ų3776.2 Ų76.214%0.1438%0.383CS..Hα-helixtrans-61.1-42.7177.6172.868.9000112.6F74 F78 I83 Q317 L318 T319 Q323 F324 E325F74-W321 HydrophobicContact CE2-CB 4.47Å; F74-W321 AromaticContact CE2-CD2 3.79Å; F74-W321 HydrophobicContact CE2-CD2 3.79Å; F74-W321 AromaticContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CG 4.16Å; F74-W321 HydrophobicContact CE2-CZ3 4.22Å; F74-W321 HydrophobicContact CZ-CB 4.01Å; F74-W321 HydrophobicContact CZ-CD2 4.21Å; F74-W321 HydrophobicContact CZ-CE3 4.27Å; F74-W321 HydrophobicContact CZ-CG 4.1Å; F78-W321 HydrophobicContact CD1-CZ2 4.37Å; F78-W321 AromaticContact CE1-CE2 3.99Å; F78-W321 HydrophobicContact CE1-CH2 4.47Å; F78-W321 AromaticContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE2-CH2 4.05Å; F78-W321 AromaticContact CE2-CZ2 3.86Å; F78-W321 HydrophobicContact CE2-CZ2 3.86Å; F78-W321 AromaticContact CZ-CE2 3.91Å; F78-W321 AromaticContact CZ-CH2 3.73Å; F78-W321 HydrophobicContact CZ-CH2 3.73Å; F78-W321 AromaticContact CZ-CZ2 3.32Å; F78-W321 HydrophobicContact CZ-CZ2 3.32Å; I83-W321 HydrophobicContact CD1-CB 4.38Å; Q317-W321 VanDerWaalsContact O-CB 3.29Å; Q317-W321 WeakPolarHBondContact O-CB 3.31Å; Q317-W321 PolarHBondContact O-N 3.09Å; L318-W321 HydrophobicContact CD1-CE3 4.04Å; L318-W321 HydrophobicContact CD1-CZ3 4.41Å; L318-W321 PolarHBondContact O-N 3.34Å; T319-W321 PolarHBondContact O-N 3.05Å; W321-Q323 VanDerWaalsContact C-N 3.34Å; W321-Q323 PolarHBondContact O-N 3.38Å; W321-F324 PolarHBondContact O-N 2.04Å; W321-E325 WeakPolarHBondContact CH2-OE2 3.22Å; W321-E325 WeakPolarHBondContact CZ2-OE1 3.38Å; W321-E325 WeakPolarHBondContact CZ2-OE2 3.34Å; W321-E325 PolarHBondContact O-N 3.36Å
322R84.9Confident79.7Confident159 Ų15978.1 Ų78.160%0.640%0.397SS*.Hα-helixtrans-61.1-41.5174.1-172.7-173.4-65.5174.9-1.8111.9L318 T319 Q320 E325 E326L318-R322 PolarHBondContact O-N 3.43Å; T319-R322 PolarHBondContact O-N 2.99Å; Q320-R322 PolarHBondContact O-N 3.38Å; R322-E325 PolarHBondContact O-N 2.92Å; R322-E326 WeakPolarHBondContact O-CB 3.43Å; R322-E326 PolarHBondContact O-N 3Å
323Q83.3Confident78Confident121 Ų12177.5 Ų77.557%0.56539%0.393SS*.Hα-helixtrans-60.1-47.5176.4-72.4170-40.900111.4T319 Q320 W321 E325 E326 D327T319-Q323 WeakPolarHBondContact O-CG 3.29Å; T319-Q323 PolarHBondContact O-N 3.09Å; Q320-Q323 PolarHBondContact O-N 3.44Å; W321-Q323 VanDerWaalsContact C-N 3.34Å; W321-Q323 PolarHBondContact O-N 3.38Å; Q323-E325 VanDerWaalsContact C-N 3.27Å; Q323-E325 PolarHBondContact O-N 3.48Å; Q323-E326 PolarHBondContact O-N 2.72Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.22Å; Q323-D327 PolarHBondContact O-N 2.98Å
324F78.5Confident76.3Confident106 Ų10684 Ų8447%0.46543%0.425SS..Hα-helixtrans-65.5-25.2175.7-78.9-69.3000114.2I83 Q320 W321 Q328I83-F324 HydrophobicContact CD1-CB 3.84Å; I83-F324 HydrophobicContact CD1-CD2 3.31Å; I83-F324 HydrophobicContact CD1-CE2 4.06Å; I83-F324 HydrophobicContact CD1-CG 3.78Å; I83-F324 HydrophobicContact CG1-CD2 3.75Å; I83-F324 HydrophobicContact CG1-CE2 3.97Å; I83-F324 HydrophobicContact CG1-CG 4.46Å; Q320-F324 WeakPolarHBondContact O-CD2 3.45Å; Q320-F324 PolarHBondContact O-N 2.87Å; W321-F324 PolarHBondContact O-N 2.04Å; F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 3.41Å
325E81.9Confident74.5Confident79 Ų7986.8 Ų86.837%0.36945%0.448SS..Hα-helixtrans-78.2-41.1173.2-178.4170.5-119.700111.7W321 R322 Q323 Q328 N329W321-E325 WeakPolarHBondContact CH2-OE2 3.22Å; W321-E325 WeakPolarHBondContact CZ2-OE1 3.38Å; W321-E325 WeakPolarHBondContact CZ2-OE2 3.34Å; W321-E325 PolarHBondContact O-N 3.36Å; R322-E325 PolarHBondContact O-N 2.92Å; Q323-E325 VanDerWaalsContact C-N 3.27Å; Q323-E325 PolarHBondContact O-N 3.48Å; E325-Q328 PolarHBondContact O-N 3.16Å; E325-N329 VanDerWaalsContact CG-ND2 3.34Å; E325-N329 WeakPolarHBondContact CG-ND2 3.27Å; E325-N329 VanDerWaalsContact O-CB 3.28Å; E325-N329 WeakPolarHBondContact O-CB 3.34Å; E325-N329 VanDerWaalsContact O-CG 3.31Å; E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.44Å
326E81.4Confident72.3Confident109 Ų10990.7 Ų90.751%0.50946%0.46SS..Hα-helixtrans-60.2-47.8172.2-166.781.6-126.800110.7R322 Q323 Q328 N329 N330R322-E326 WeakPolarHBondContact O-CB 3.43Å; R322-E326 PolarHBondContact O-N 3Å; Q323-E326 PolarHBondContact O-N 2.72Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.1Å; E326-N329 PolarHBondContact O-N 3.4Å; E326-N330 WeakPolarHBondContact O-CB 3.36Å; E326-N330 PolarHBondContact O-N 2.85Å
327D76.4Confident70.4Confident114 Ų11496.9 Ų96.961%0.6148%0.478SS*.Hα-helixtrans-60.1-37.3177.3-70.5-24.9000112.5Q323Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.22Å; Q323-D327 PolarHBondContact O-N 2.98Å
328Q72.3Confident68.7Low158 Ų158105.3 Ų105.374%0.73852%0.515SS*.Hα-helixtrans-80.7-32.7177.9-78.1-168.93100113.8F324 E325 E326 N330 P331F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 3.41Å; E325-Q328 PolarHBondContact O-N 3.16Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.1Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; Q328-P331 WeakPolarHBondContact O-CD 3.46Å
329N72.3Confident66.5Low121 Ų121106.8 Ų106.865%0.64753%0.529SS*.Hα-helixtrans-80.9-13.7177.4-72.7-32.2000112.7E325 E326 P331E325-N329 VanDerWaalsContact CG-ND2 3.34Å; E325-N329 WeakPolarHBondContact CG-ND2 3.27Å; E325-N329 VanDerWaalsContact O-CB 3.28Å; E325-N329 WeakPolarHBondContact O-CB 3.34Å; E325-N329 VanDerWaalsContact O-CG 3.31Å; E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.44Å; E326-N329 PolarHBondContact O-N 3.4Å; N329-P331 WeakPolarHBondContact O-CD 3.24Å
330N65.1Low64Low48 Ų48107.1 Ų107.126%0.25753%0.534SS..  trans-119.248.4-178.2-141.3-31.8000114.8E326 Q328 S332 Q333E326-N330 WeakPolarHBondContact O-CB 3.36Å; E326-N330 PolarHBondContact O-N 2.85Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 2.91Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-OG 2.87Å; N330-Q333 PolarHBondContact ND2-NE2 3.1Å; N330-Q333 PolarHBondContact O-N 3.27Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.48Å
331P58.7Low62.3Low88 Ų88110.9 Ų110.957%0.57156%0.564SS**Hα-helixtrans-64.5-18.4179.330.6-36000112.4Q328 N329 Q333 M334Q328-P331 WeakPolarHBondContact O-CD 3.46Å; N329-P331 WeakPolarHBondContact O-CD 3.24Å; P331-Q333 VanDerWaalsContact C-N 3.27Å; P331-Q333 PolarHBondContact O-N 3.43Å; P331-M334 PolarHBondContact O-N 3.06Å
332S54.7Low60.1Low78 Ų78114.3 Ų114.355%0.54559%0.594SS.*Hα-helixtrans-66.5-21.8171.645.40000113.6N330 A335 K336N330-S332 PolarHBondContact O-N 2.91Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-OG 2.87Å; S332-A335 PolarHBondContact O-N 3.4Å; S332-K336 PolarHBondContact O-N 2.85Å
333Q53.8Low58.2Low86 Ų86116.3 Ų116.340%0.40261%0.607SS.*Hα-helixtrans-68.6-37.3169.4-82.7-170.657.800112.2N330 P331 A335 K336 Y337N330-Q333 PolarHBondContact ND2-NE2 3.1Å; N330-Q333 PolarHBondContact O-N 3.27Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.48Å; P331-Q333 VanDerWaalsContact C-N 3.27Å; P331-Q333 PolarHBondContact O-N 3.43Å; Q333-A335 VanDerWaalsContact C-N 3.32Å; Q333-A335 PolarHBondContact O-N 3.4Å; Q333-K336 WeakPolarHBondContact O-CA 3.17Å; Q333-K336 WeakPolarHBondContact O-CB 3.25Å; Q333-K336 PolarHBondContact O-N 3.07Å; Q333-Y337 HydrophobicContact CB-CE2 4.35Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.32Å; Q333-Y337 PolarHBondContact O-N 3.2Å; Q333-Y337 VanDerWaalsContact O-N 3.15Å
334M51.7Low56.1Low145 Ų145115.7 Ų115.771%0.71462%0.616SS**Hα-helixtrans-58.3-43.5173-92.6-165.1171.500112P331 K336 Y337 F338P331-M334 PolarHBondContact O-N 3.06Å; M334-K336 VanDerWaalsContact C-N 3.26Å; M334-K336 PolarHBondContact O-N 2.88Å; M334-Y337 PolarHBondContact O-N 3.12Å; M334-F338 WeakPolarHBondContact O-CD2 3.08Å
335A53Low54Low61 Ų61119.4 Ų119.450%0.50464%0.635SS.*Hα-helixtrans-61.1-35174.300000112.5S332 Q333 F338 S339S332-A335 PolarHBondContact O-N 3.4Å; Q333-A335 VanDerWaalsContact C-N 3.32Å; Q333-A335 PolarHBondContact O-N 3.4Å; A335-F338 PolarHBondContact O-N 3.22Å; A335-S339 PolarHBondContact O-OG 2.93Å
336K43.3Very low52Low145 Ų145121.6 Ų121.663%0.6366%0.656SS**Hα-helixtrans-69.4-32.3-178.8-151.4171.2-171.6176.70113.4S332 Q333 M334 F338 S339S332-K336 PolarHBondContact O-N 2.85Å; Q333-K336 WeakPolarHBondContact O-CA 3.17Å; Q333-K336 WeakPolarHBondContact O-CB 3.25Å; Q333-K336 PolarHBondContact O-N 3.07Å; M334-K336 VanDerWaalsContact C-N 3.26Å; M334-K336 PolarHBondContact O-N 2.88Å; K336-F338 PolarHBondContact O-N 3.46Å; K336-S339 PolarHBondContact O-N 2.99Å; K336-S339 PolarHBondContact O-OG 2.67Å
337Y43.8Very low50Low183 Ų183120.3 Ų120.372%0.71866%0.659SS**Hα-helixtrans-67.2-21.1173.8-68.6-65.7000113.5Q333 M334Q333-Y337 HydrophobicContact CB-CE2 4.35Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.32Å; Q333-Y337 PolarHBondContact O-N 3.2Å; Q333-Y337 VanDerWaalsContact O-N 3.15Å; M334-Y337 PolarHBondContact O-N 3.12Å
338F49.5Very low48.7Very low191 Ų191122.4 Ų122.484%0.83868%0.676SS**THydrogen-bonded Turntrans-89.2-5.4173.8-72.7-73.8000114M334 A335 K336M334-F338 WeakPolarHBondContact O-CD2 3.08Å; A335-F338 PolarHBondContact O-N 3.22Å; K336-F338 PolarHBondContact O-N 3.46Å
339S39.2Very low47.5Very low83 Ų83121.2 Ų121.258%0.5867%0.665SS**SBendtrans-132.413.5-165.371.50000116.3A335 K336A335-S339 PolarHBondContact O-OG 2.93Å; K336-S339 PolarHBondContact O-N 2.99Å; K336-S339 PolarHBondContact O-OG 2.67Å
340S32.7Very low46.5Very low77 Ų77118.3 Ų118.354%0.53865%0.654SS.*  trans-158.7124.2170.4-79.20000113.8S342S340-S342 PolarHBondContact O-N 3.22Å
341P48.4Very low46.2Very low140 Ų140122.2 Ų122.291%0.90967%0.671SS**  trans-90.488.2175.734.6-32.4000111.8
342S37.7Very low46.3Very low109 Ų109124.2 Ų124.276%0.76268%0.677SS**  trans-148.2155.8171.664.20000114.5S340S340-S342 PolarHBondContact O-N 3.22Å
343K43.9Very low47Very low200 Ų200124.7 Ų124.787%0.8767%0.671SS**  trans-73.7135.9-171-58166.7-179.5173.40111.8
344S40.5Very low48Very low109 Ų109124.5 Ų124.576%0.76267%0.671SS**  146.9119112.860.10000114.5
345Q33.2Very low48.9Very low183 Ų183124.5 Ų124.586%0.85567%0.665SS**  -174.5151.5105.3-94.2-171.910.800109.2
346P40.9Very low50.2Low125 Ų125128.4 Ų128.481%0.81267%0.67SS**  trans-78.7125.3-177.330.9-32.9000111.5
347S39.2Very low52.1Low82 Ų82125.4 Ų125.457%0.57366%0.661SS**  trans-73.7163.1164.1630000110.4Y349S347-Y349 PolarHBondContact O-N 2.92Å
348V48.3Very low54.1Low159 Ų159121.9 Ų121.996%0.96465%0.654SS**SBendtrans-71.23.2-170.9178.20000114
349Y48.2Very low55.8Low133 Ų133114.4 Ų114.452%0.52263%0.631SS.*SBendtrans-76.3141.2167.9-105.2-98000111S347 E353 I354 L357S347-Y349 PolarHBondContact O-N 2.92Å; Y349-E353 HydrophobicContact CD1-CB 4.2Å; Y349-E353 HydrophobicContact CD1-CG 3.79Å; Y349-E353 HydrophobicContact CE1-CG 3.75Å; Y349-I354 HydrophobicContact CD1-CG1 4.39Å; Y349-I354 HydrophobicContact CG-CG1 4.42Å; Y349-L357 HydrophobicContact CE1-CD1 4.03Å
350S49.9Very low58.1Low59 Ų59115.8 Ų115.841%0.41363%0.628SS.*  trans-66.1137.7170.967.70000109.8D352 E353 I354S350-D352 PolarHBondContact O-N 3.15Å; S350-E353 WeakPolarHBondContact O-CB 3.4Å; S350-E353 PolarHBondContact O-N 2.77Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 PolarHBondContact OG-OE2 2.96Å; S350-I354 PolarHBondContact O-N 3.12Å
351Q58.9Low60.5Low131 Ų131115.3 Ų115.361%0.61262%0.619SS**Hα-helixtrans-61.9-34.1-173.1-173.8168.5-5.600111.6E353 I354 Y355Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.42Å; Q351-I354 PolarHBondContact O-N 3.49Å; Q351-Y355 HydrophobicContact CG-CD2 4.09Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q351-Y355 PolarHBondContact O-N 2.9Å; Q351-Y355 VanDerWaalsContact O-N 3.12Å
352D62Low62.4Low130 Ų130112.1 Ų112.170%0.69560%0.6SS**Hα-helixtrans-64.2-35.4175.5-51.6-57.5000112.8S350 Y355 F356S350-D352 PolarHBondContact O-N 3.15Å; D352-Y355 PolarHBondContact O-N 3.36Å; D352-F356 WeakPolarHBondContact O-CB 3.44Å; D352-F356 PolarHBondContact O-N 2.69Å
353E69.4Low64.9Low88 Ų88110.6 Ų110.641%0.41159%0.59SS.*Hα-helixtrans-76-30.9-179.9-173176.4-164.300111.8Y349 S350 Q351 F356 L357Y349-E353 HydrophobicContact CD1-CB 4.2Å; Y349-E353 HydrophobicContact CD1-CG 3.79Å; Y349-E353 HydrophobicContact CE1-CG 3.75Å; S350-E353 WeakPolarHBondContact O-CB 3.4Å; S350-E353 PolarHBondContact O-N 2.77Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 PolarHBondContact OG-OE2 2.96Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.42Å; E353-F356 PolarHBondContact O-N 3.13Å; E353-L357 WeakPolarHBondContact O-CB 3.19Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.28Å; E353-L357 PolarHBondContact O-N 3.21Å
354I73.6Confident67.1Low81 Ų81107.1 Ų107.142%0.41558%0.578SS.*Hα-helixtrans-64.9-45.6167.1-59.2176.5000110.1Y349 S350 Q351 F356 L357 L358Y349-I354 HydrophobicContact CD1-CG1 4.39Å; Y349-I354 HydrophobicContact CG-CG1 4.42Å; S350-I354 PolarHBondContact O-N 3.12Å; Q351-I354 PolarHBondContact O-N 3.49Å; I354-F356 VanDerWaalsContact C-N 3.35Å; I354-L357 PolarHBondContact O-N 3.34Å; I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 2.93Å
355Y71.1Confident69.4Low146 Ų146107.8 Ų107.857%0.57357%0.567SS**Hα-helixtrans-64.7-37.3175.8-79-62000112.6Q351 D352 L358 G359Q351-Y355 HydrophobicContact CG-CD2 4.09Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q351-Y355 PolarHBondContact O-N 2.9Å; Q351-Y355 VanDerWaalsContact O-N 3.12Å; D352-Y355 PolarHBondContact O-N 3.36Å; Y355-L358 PolarHBondContact O-N 2.7Å; Y355-G359 PolarHBondContact O-N 3.25Å
356F80.7Confident72.2Confident142 Ų142106.3 Ų106.362%0.62356%0.558SS**Hα-helixtrans-61.7-51.7174.4-177.8-89.2000111.4D352 E353 I354 L358 G359 E360D352-F356 WeakPolarHBondContact O-CB 3.44Å; D352-F356 PolarHBondContact O-N 2.69Å; E353-F356 PolarHBondContact O-N 3.13Å; I354-F356 VanDerWaalsContact C-N 3.35Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 2.92Å; F356-G359 WeakPolarHBondContact O-CA 3.31Å; F356-G359 PolarHBondContact O-N 2.83Å; F356-G359 VanDerWaalsContact O-N 3.16Å; F356-E360 PolarHBondContact O-N 2.94Å
357L83.9Confident74.7Confident83 Ų83104.6 Ų104.644%0.43554%0.541SS..Hα-helixtrans-64.7-34.6178.7-71.5169.8000112.5Y349 E353 I354 E360 N361Y349-L357 HydrophobicContact CE1-CD1 4.03Å; E353-L357 WeakPolarHBondContact O-CB 3.19Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.28Å; E353-L357 PolarHBondContact O-N 3.21Å; I354-L357 PolarHBondContact O-N 3.34Å; L357-E360 PolarHBondContact O-N 3.24Å; L357-N361 VanDerWaalsContact O-CB 3.32Å; L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 3.43Å
358L85.3Confident77.3Confident109 Ų109105.5 Ų105.557%0.57154%0.54SS*.Hα-helixtrans-67.3-40.1173.5-172.165.3000111.4I354 Y355 F356 N361 S362I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 2.93Å; Y355-L358 PolarHBondContact O-N 2.7Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 2.92Å; L358-N361 PolarHBondContact O-N 2.95Å; L358-S362 PolarHBondContact O-N 2.88Å
359G85.2Confident79.4Confident34 Ų34103 Ų10335%0.35152%0.521SS..Hα-helixtrans-60.3-49.5171.300000112.2Y355 F356 N361 S362 S363Y355-G359 PolarHBondContact O-N 3.25Å; F356-G359 WeakPolarHBondContact O-CA 3.31Å; F356-G359 PolarHBondContact O-N 2.83Å; F356-G359 VanDerWaalsContact O-N 3.16Å; G359-N361 VanDerWaalsContact C-N 3.34Å; G359-N361 PolarHBondContact O-N 3.34Å; G359-S362 PolarHBondContact O-N 2.88Å; G359-S362 VanDerWaalsContact O-N 3.16Å; G359-S362 PolarHBondContact O-OG 2.91Å; G359-S363 PolarHBondContact O-N 3.28Å
360E87.5Confident81.5Confident112 Ų112102.1 Ų102.152%0.52352%0.521SS..Hα-helixtrans-61.4-40.4176.8-168.5171.5-168.500111.7F356 L357 S362 S363 M364F356-E360 PolarHBondContact O-N 2.94Å; L357-E360 PolarHBondContact O-N 3.24Å; E360-S362 PolarHBondContact O-N 3.38Å; E360-S363 PolarHBondContact O-N 2.86Å; E360-M364 WeakPolarHBondContact O-CB 3.13Å; E360-M364 PolarHBondContact O-N 3.18Å
361N83.6Confident83.7Confident67 Ų67104.9 Ų104.936%0.35853%0.526SS..Hα-helixtrans-62-41.6173.8-165.5-92.6000112.4L357 L358 G359 M364 K365L357-N361 VanDerWaalsContact O-CB 3.32Å; L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 3.43Å; L358-N361 PolarHBondContact O-N 2.95Å; G359-N361 VanDerWaalsContact C-N 3.34Å; G359-N361 PolarHBondContact O-N 3.34Å; N361-M364 PolarHBondContact O-N 2.92Å; N361-K365 WeakPolarHBondContact O-CB 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.32Å; N361-K365 PolarHBondContact O-N 3.03Å; N361-K365 VanDerWaalsContact OD1-CE 3.22Å; N361-K365 WeakPolarHBondContact OD1-CE 3.48Å; N361-K365 PolarHBondContact OD1-NZ 3.23Å
362S87.3Confident85.2Confident73 Ų73102 Ų10251%0.5152%0.515SS..Hα-helixtrans-66.2-39.4176.578.90000112.3L358 G359 E360 K365 K366L358-S362 PolarHBondContact O-N 2.88Å; G359-S362 PolarHBondContact O-N 2.88Å; G359-S362 VanDerWaalsContact O-N 3.16Å; G359-S362 PolarHBondContact O-OG 2.91Å; E360-S362 PolarHBondContact O-N 3.38Å; S362-K365 PolarHBondContact O-N 2.9Å; S362-K366 PolarHBondContact O-N 3.42Å
363S91.1Very high86.7Confident77 Ų7798.6 Ų98.654%0.53850%0.504SS..Hα-helixtrans-64.8-46.6175.3-1730000111.3G359 E360 K365 K366 L367G359-S363 PolarHBondContact O-N 3.28Å; E360-S363 PolarHBondContact O-N 2.86Å; S363-K365 VanDerWaalsContact C-N 3.35Å; S363-K365 PolarHBondContact O-N 2.89Å; S363-K366 PolarHBondContact O-N 3.18Å; S363-L367 PolarHBondContact O-N 3.19Å
364M89.1Confident87.9Confident126 Ų12696.5 Ų96.562%0.62150%0.503SS*.Hα-helixtrans-65.9-35.6178.5-165.8170.272.600112.3E360 N361 L367 L368E360-M364 WeakPolarHBondContact O-CB 3.13Å; E360-M364 PolarHBondContact O-N 3.18Å; N361-M364 PolarHBondContact O-N 2.92Å; M364-L367 PolarHBondContact O-N 3.33Å; M364-L368 WeakPolarHBondContact O-CB 3.26Å; M364-L368 PolarHBondContact O-N 3.45Å
365K88.2Confident88.9Confident123 Ų12397.4 Ų97.454%0.53551%0.507SS..Hα-helixtrans-64.6-42.3170.6-81169.1172.5158.10112.6N361 S362 S363 L368 N369N361-K365 WeakPolarHBondContact O-CB 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.32Å; N361-K365 PolarHBondContact O-N 3.03Å; N361-K365 VanDerWaalsContact OD1-CE 3.22Å; N361-K365 WeakPolarHBondContact OD1-CE 3.48Å; N361-K365 PolarHBondContact OD1-NZ 3.23Å; S362-K365 PolarHBondContact O-N 2.9Å; S363-K365 VanDerWaalsContact C-N 3.35Å; S363-K365 PolarHBondContact O-N 2.89Å; K365-L368 PolarHBondContact O-N 3.42Å; K365-N369 PolarHBondContact O-N 3.15Å; K365-N369 PolarHBondContact O-OD1 2.9Å
366K92.8Very high89.9Confident152 Ų15295.5 Ų95.566%0.66151%0.507SS*.Hα-helixtrans-61.4-46175-173.5-178.3176.1-174.80111.1S362 S363 L368 N369 E370S362-K366 PolarHBondContact O-N 3.42Å; S363-K366 PolarHBondContact O-N 3.18Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.41Å; K366-N369 PolarHBondContact O-N 2.7Å; K366-E370 WeakPolarHBondContact O-CB 3.31Å; K366-E370 PolarHBondContact O-N 3.13Å
367L94.1Very high90.5Very high89 Ų8991.2 Ų91.247%0.46650%0.495SS..Hα-helixtrans-63-38176.6-176.764000112.1S363 M364 E370 K371S363-L367 PolarHBondContact O-N 3.19Å; M364-L367 PolarHBondContact O-N 3.33Å; L367-E370 PolarHBondContact O-N 3.38Å; L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3Å
368L93.1Very high90.9Very high102 Ų10292.3 Ų92.353%0.53450%0.5SS..Hα-helixtrans-61.4-47.6174.8-167.478000111M364 K365 K366 E370 K371 N372M364-L368 WeakPolarHBondContact O-CB 3.26Å; M364-L368 PolarHBondContact O-N 3.45Å; K365-L368 PolarHBondContact O-N 3.42Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.41Å; L368-E370 PolarHBondContact O-N 3.23Å; L368-K371 PolarHBondContact O-N 3.2Å; L368-N372 VanDerWaalsContact O-CG 3.23Å; L368-N372 PolarHBondContact O-N 3.46Å; L368-N372 PolarHBondContact O-OD1 3.42Å
369N91.8Very high91.2Very high107 Ų10792 Ų9257%0.57250%0.496SS*.Hα-helixtrans-64.1-39.7178.5-693.9000112.2K365 K366 K371 N372 A373K365-N369 PolarHBondContact O-N 3.15Å; K365-N369 PolarHBondContact O-OD1 2.9Å; K366-N369 PolarHBondContact O-N 2.7Å; N369-K371 VanDerWaalsContact C-N 3.33Å; N369-N372 PolarHBondContact O-N 2.94Å; N369-A373 PolarHBondContact O-N 2.92Å
370E93.6Very high91.6Very high114 Ų11496.9 Ų96.953%0.53351%0.509SS..Hα-helixtrans-63.1-38.2174.6-169.5-175.1131.800111.8K366 L367 L368 A374K366-E370 WeakPolarHBondContact O-CB 3.31Å; K366-E370 PolarHBondContact O-N 3.13Å; L367-E370 PolarHBondContact O-N 3.38Å; L368-E370 PolarHBondContact O-N 3.23Å; E370-A374 WeakPolarHBondContact O-CB 3.4Å; E370-A374 PolarHBondContact O-N 2.95Å; E370-A374 VanDerWaalsContact O-N 3.17Å
371K94.6Very high91.7Very high117 Ų11795.7 Ų95.751%0.50950%0.504SS..Hα-helixtrans-73.3-34.5174.4-68.5-57.6177-1600113.4L367 L368 N369 A374 I375L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3Å; L368-K371 PolarHBondContact O-N 3.2Å; N369-K371 VanDerWaalsContact C-N 3.33Å; K371-A374 PolarHBondContact O-N 3.46Å; K371-I375 WeakPolarHBondContact O-CD1 3.33Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.34Å; K371-I375 PolarHBondContact O-N 2.95Å
372N91.9Very high92.2Very high70 Ų7096.7 Ų96.737%0.37451%0.512SS..Hα-helixtrans-64-49.4173.5-67.9-7.6000110.5L368 N369 A374 I375 D376L368-N372 VanDerWaalsContact O-CG 3.23Å; L368-N372 PolarHBondContact O-N 3.46Å; L368-N372 PolarHBondContact O-OD1 3.42Å; N369-N372 PolarHBondContact O-N 2.94Å; N372-A374 VanDerWaalsContact C-N 3.25Å; N372-A374 PolarHBondContact O-N 3.38Å; N372-I375 CarbonylContact O-C 3.59Å; N372-I375 WeakPolarHBondContact O-CA 3.3Å; N372-I375 WeakPolarHBondContact O-CB 3.23Å; N372-I375 PolarHBondContact O-N 3.29Å; N372-D376 VanDerWaalsContact O-CG 3.3Å; N372-D376 PolarHBondContact O-N 3.38Å
373A93.8Very high92.3Very high58 Ų5896.6 Ų96.648%0.47951%0.506SS..Hα-helixtrans-59.1-35.2176.600000113.1N369 D376 S377N369-A373 PolarHBondContact O-N 2.92Å; A373-D376 PolarHBondContact O-N 2.72Å; A373-S377 WeakPolarHBondContact O-CB 3.26Å; A373-S377 PolarHBondContact O-N 2.76Å
374A94.3Very high92.3Very high45 Ų4597.4 Ų97.437%0.37250%0.504SS..Hα-helixtrans-69.6-32.717300000113.2E370 K371 N372 L378E370-A374 WeakPolarHBondContact O-CB 3.4Å; E370-A374 PolarHBondContact O-N 2.95Å; E370-A374 VanDerWaalsContact O-N 3.17Å; K371-A374 PolarHBondContact O-N 3.46Å; N372-A374 VanDerWaalsContact C-N 3.25Å; N372-A374 PolarHBondContact O-N 3.38Å; A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 VanDerWaalsContact O-CG 3.29Å; A374-L378 WeakPolarHBondContact O-CG 3.34Å; A374-L378 PolarHBondContact O-N 3.44Å; A374-L378 VanDerWaalsContact O-N 3.12Å
375I93.4Very high92.4Very high100 Ų10092.8 Ų92.851%0.51349%0.486SS..Hα-helixtrans-68.8-44.8172.3-70.6161.7000110.1K371 N372 S377 L378 Q379K371-I375 WeakPolarHBondContact O-CD1 3.33Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.34Å; K371-I375 PolarHBondContact O-N 2.95Å; N372-I375 CarbonylContact O-C 3.59Å; N372-I375 WeakPolarHBondContact O-CA 3.3Å; N372-I375 WeakPolarHBondContact O-CB 3.23Å; N372-I375 PolarHBondContact O-N 3.29Å; I375-S377 PolarHBondContact O-N 2.73Å; I375-L378 PolarHBondContact O-N 2.97Å; I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 PolarHBondContact O-N 2.77Å
376D93.3Very high92.5Very high105 Ų10593 Ų9356%0.56149%0.487SS*.Hα-helixtrans-60.7-44.1179.1-61.4-37.3000111.2N372 A373 Q379 E380N372-D376 VanDerWaalsContact O-CG 3.3Å; N372-D376 PolarHBondContact O-N 3.38Å; A373-D376 PolarHBondContact O-N 2.72Å; D376-Q379 WeakPolarHBondContact O-CB 3.14Å; D376-Q379 PolarHBondContact O-N 2.95Å; D376-E380 PolarHBondContact O-N 2.71Å
377S93.3Very high92.3Very high53 Ų5389.8 Ų89.837%0.37148%0.477SS..Hα-helixtrans-64.7-40.5175.2-175.60000113A373 I375 Q379 E380 Q381A373-S377 WeakPolarHBondContact O-CB 3.26Å; A373-S377 PolarHBondContact O-N 2.76Å; I375-S377 PolarHBondContact O-N 2.73Å; S377-Q379 VanDerWaalsContact C-N 3.33Å; S377-E380 PolarHBondContact O-N 3.4Å; S377-Q381 WeakPolarHBondContact O-CG 3.38Å; S377-Q381 PolarHBondContact O-N 2.87Å
378L91.5Very high92Very high105 Ų10589.2 Ų89.255%0.5547%0.471SS..Hα-helixtrans-65.5-36.8173.3-76.7168.2000112A374 I375 Q381 V382A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 VanDerWaalsContact O-CG 3.29Å; A374-L378 WeakPolarHBondContact O-CG 3.34Å; A374-L378 PolarHBondContact O-N 3.44Å; A374-L378 VanDerWaalsContact O-N 3.12Å; I375-L378 PolarHBondContact O-N 2.97Å; L378-Q381 PolarHBondContact O-N 2.88Å; L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.3Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.45Å
379Q91.6Very high91.5Very high104 Ų10488.6 Ų88.649%0.48647%0.468SS..Hα-helixtrans-66.3-38.9176.1-168.864.752.100111.2I375 D376 S377 V382 N383I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 PolarHBondContact O-N 2.77Å; D376-Q379 WeakPolarHBondContact O-CB 3.14Å; D376-Q379 PolarHBondContact O-N 2.95Å; S377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-V382 PolarHBondContact O-N 3.3Å; Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-ND2 2.82Å
380E93Very high91Very high135 Ų13588.4 Ų88.463%0.63147%0.466SS*.Hα-helixtrans-64-45.9172.3-174.7175-161.100112.1D376 S377 V382 N383 N384D376-E380 PolarHBondContact O-N 2.71Å; S377-E380 PolarHBondContact O-N 3.4Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.25Å; E380-N383 PolarHBondContact O-N 3.46Å; E380-N384 WeakPolarHBondContact O-CB 3.19Å; E380-N384 PolarHBondContact O-N 3.48Å
381Q91Very high90.3Very high88 Ų8892.3 Ų92.341%0.41148%0.476SS..Hα-helixtrans-60.4-42.2175.3-71.8176.314.900112.2S377 L378 N384 A385S377-Q381 WeakPolarHBondContact O-CG 3.38Å; S377-Q381 PolarHBondContact O-N 2.87Å; L378-Q381 PolarHBondContact O-N 2.88Å; Q381-N384 PolarHBondContact O-N 3.14Å; Q381-A385 WeakPolarHBondContact O-CB 3.36Å; Q381-A385 PolarHBondContact O-N 3.17Å
382V93.1Very high89.5Confident87 Ų8789.6 Ų89.653%0.52747%0.466SS..Hα-helixtrans-64.6-39.9175.5167.60000111.5L378 Q379 E380 K386L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.3Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.45Å; Q379-V382 PolarHBondContact O-N 3.3Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.25Å; V382-K386 VanDerWaalsContact O-CB 3.25Å; V382-K386 WeakPolarHBondContact O-CB 3.21Å; V382-K386 PolarHBondContact O-N 2.9Å
383N89.4Confident88.3Confident71 Ų7192.2 Ų92.238%0.3848%0.478SS..Hα-helixtrans-65.5-44.5174.7-70.5-22.5000111.6Q379 E380 A385 K386 D387Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-ND2 2.82Å; E380-N383 PolarHBondContact O-N 3.46Å; N383-A385 PolarHBondContact O-N 3.43Å; N383-K386 WeakPolarHBondContact O-CB 3.49Å; N383-K386 PolarHBondContact O-N 2.94Å; N383-D387 PolarHBondContact O-N 3.04Å
384N92.4Very high87.3Confident95 Ų9594 Ų9451%0.50848%0.483SS..Hα-helixtrans-62.5-44.5177.2-167.8-56.7000111.8E380 Q381 K386 D387 K388E380-N384 WeakPolarHBondContact O-CB 3.19Å; E380-N384 PolarHBondContact O-N 3.48Å; Q381-N384 PolarHBondContact O-N 3.14Å; N384-K386 PolarHBondContact O-N 3.16Å; N384-D387 PolarHBondContact O-N 2.87Å; N384-K388 PolarHBondContact O-N 3.45Å
385A89.8Confident85.9Confident28 Ų2896 Ų9623%0.23150%0.5CS..Hα-helixtrans-62.9-40.6175.100000112.3Q381 N383 L389 L575Q381-A385 WeakPolarHBondContact O-CB 3.36Å; Q381-A385 PolarHBondContact O-N 3.17Å; N383-A385 PolarHBondContact O-N 3.43Å; A385-L389 WeakPolarHBondContact O-CB 3.29Å; A385-L389 PolarHBondContact O-N 3.39Å; A385-L575 HydrophobicContact CB-CD1 4.19Å
386K90.4Very high84.1Confident128 Ų12894.6 Ų94.656%0.55750%0.499SS*.Hα-helixtrans-60.2-44.4172.7175.5-166.7172-161.20111.4V382 N383 N384 L389 L390V382-K386 VanDerWaalsContact O-CB 3.25Å; V382-K386 WeakPolarHBondContact O-CB 3.21Å; V382-K386 PolarHBondContact O-N 2.9Å; N383-K386 WeakPolarHBondContact O-CB 3.49Å; N383-K386 PolarHBondContact O-N 2.94Å; N384-K386 PolarHBondContact O-N 3.16Å; K386-L389 PolarHBondContact O-N 3.29Å; K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.36Å
387D88.4Confident81.7Confident85 Ų8597.3 Ų97.346%0.45551%0.508SS..Hα-helixtrans-73.3-35.4-178.8-68.7-13.8000112.6N383 N384 L389 L390 R391N383-D387 PolarHBondContact O-N 3.04Å; N384-D387 PolarHBondContact O-N 2.87Å; D387-L389 VanDerWaalsContact C-N 3.32Å; D387-L390 PolarHBondContact O-N 3.04Å; D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.03Å
388K87.7Confident79.4Confident77 Ų77100.5 Ų100.534%0.33553%0.528SS..Hα-helixtrans-56.2-46.9166.1-80.2-173.8175.5-177.20110.6N384 R391 L392 E574N384-K388 PolarHBondContact O-N 3.45Å; K388-R391 PolarHBondContact O-N 3.23Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.77Å; K388-E574 IonicContact NZ-OE2 2.64Å; K388-E574 PolarHBondContact NZ-OE2 3.42Å
389L83Confident77.2Confident89 Ų89103.6 Ų103.647%0.46654%0.544SS..Hα-helixtrans-69.1-38.1-179.3-165.9149.6000112.3A385 K386 D387 L392 M393A385-L389 WeakPolarHBondContact O-CB 3.29Å; A385-L389 PolarHBondContact O-N 3.39Å; K386-L389 PolarHBondContact O-N 3.29Å; D387-L389 VanDerWaalsContact C-N 3.32Å; L389-L392 PolarHBondContact O-N 3.03Å; L389-M393 HydrophobicContact CD2-CE 4.26Å; L389-M393 PolarHBondContact O-N 3.31Å
390L81.9Confident74.6Confident102 Ų102102 Ų10253%0.53456%0.555SS.*Hα-helixtrans-63.3-40.5174.5-15293.4000111.8K386 D387 M393 T394K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.36Å; D387-L390 PolarHBondContact O-N 3.04Å; L390-M393 PolarHBondContact O-N 3.17Å; L390-T394 PolarHBondContact O-N 2.81Å; L390-T394 PolarHBondContact O-OG1 3.23Å
391R79.8Confident72Confident196 Ų196101.5 Ų101.574%0.7456%0.557SS**Hα-helixtrans-64.5-39.6173.4-83.9179.9162.6151.9-3.2112.7D387 K388 M393 T394 A395D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.03Å; K388-R391 PolarHBondContact O-N 3.23Å; R391-M393 VanDerWaalsContact C-N 3.32Å; R391-T394 WeakPolarHBondContact CA-OG1 3.44Å; R391-T394 PolarHBondContact O-N 3.26Å; R391-T394 PolarHBondContact O-OG1 3.14Å; R391-A395 WeakPolarHBondContact O-CB 3.3Å; R391-A395 PolarHBondContact O-N 2.92Å
392L76.4Confident69.5Low60 Ų60104.2 Ų104.231%0.31457%0.569SS.*Hα-helixtrans-68.9-32.1175.7-71.8167000112.3K388 L389 S396 I571K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.77Å; L389-L392 PolarHBondContact O-N 3.03Å; L392-S396 WeakPolarHBondContact O-CB 3.32Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.31Å; L392-I571 HydrophobicContact CD1-CD1 3.49Å; L392-I571 VanDerWaalsContact CD1-CD1 3.49Å
393M67.9Low66.7Low126 Ų126107.5 Ų107.562%0.62158%0.584SS**Hα-helixtrans-68.2-36172.9-170.2178.8-68.200112.5L389 L390 R391 S396L389-M393 HydrophobicContact CD2-CE 4.26Å; L389-M393 PolarHBondContact O-N 3.31Å; L390-M393 PolarHBondContact O-N 3.17Å; R391-M393 VanDerWaalsContact C-N 3.32Å; M393-S396 PolarHBondContact O-OG 3.44Å
394T71.8Confident64.5Low95 Ų95109.9 Ų109.958%0.58360%0.601SS**Hα-helixtrans-77.3-36.2173.324.90000112.7L390 R391 S396L390-T394 PolarHBondContact O-N 2.81Å; L390-T394 PolarHBondContact O-OG1 3.23Å; R391-T394 WeakPolarHBondContact CA-OG1 3.44Å; R391-T394 PolarHBondContact O-N 3.26Å; R391-T394 PolarHBondContact O-OG1 3.14Å; T394-S396 PolarHBondContact O-N 2.82Å
395A65.4Low61.6Low87 Ų87112.4 Ų112.472%0.71961%0.614SS**THydrogen-bonded Turntrans-76.60.6179.400000114.8R391R391-A395 WeakPolarHBondContact O-CB 3.3Å; R391-A395 PolarHBondContact O-N 2.92Å
396S55.1Low59.2Low71 Ų71115.7 Ų115.750%0.49764%0.636SS.*THydrogen-bonded Turntrans-106.39.4177.444.40000113.9L392 M393 T394 P398L392-S396 WeakPolarHBondContact O-CB 3.32Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.31Å; M393-S396 PolarHBondContact O-OG 3.44Å; T394-S396 PolarHBondContact O-N 2.82Å; S396-P398 WeakPolarHBondContact O-CD 3.49Å
397Q44Very low56.6Low161 Ų161115.3 Ų115.375%0.75265%0.649SS**  trans-88.1112.3175.8-168.6164.8-18.600110.6
398P44.2Very low54.1Low121 Ų121116.1 Ų116.179%0.78667%0.668SS**  trans-74.9146.5-174.4-16.132000113.1S396S396-P398 WeakPolarHBondContact O-CD 3.49Å
399L45.8Very low51.5Low169 Ų169116.5 Ų116.589%0.88569%0.685SS**  trans-79.8140.2174.1-171.468.5000111.1
400G35.8Very low48.9Very low70 Ų70122.2 Ų122.272%0.72270%0.702SS**  trans-149.9109.3173.400000111.2
401D37.9Very low46.6Very low126 Ų126124 Ų12467%0.67471%0.711SS**  trans-66.5166.1169.5-91.61.5000111.4
402Q39.4Very low44.3Very low144 Ų144120.9 Ų120.967%0.67371%0.709SS**  cis-155.1154.14.1-133.2162.373.700108.2
403D34.2Very low42.1Very low156 Ų156122.5 Ų122.583%0.83473%0.725SS**  176.7168.1125-98.9-28.2000112
404V44.2Very low40.3Very low121 Ų121122 Ų12273%0.73374%0.735SS**  trans-123.1126.9-156.3-166.90000111.7
405D31.7Very low38.4Very low148 Ų148122.5 Ų122.579%0.79174%0.742SS**  -159.1126129.7-128.6-30.4000116.5
406S37.8Very low36.7Very low97 Ų97124.4 Ų124.468%0.67875%0.745SS**  trans18108.8146.6-50.90000121.9
407S35.9Very low35.6Very low121 Ų121128 Ų12885%0.84675%0.754SS**  179.3151.3106.944.40000115.9
408A35.2Very low34.8Very low102 Ų102127.4 Ų127.484%0.84376%0.761SS**  trans57.772155.500000120.9
409A33.8Very low34.1Very low84 Ų84125.9 Ų125.969%0.69475%0.75SS**  trans-5.1127.9147.300000122.1
410Y29Very low33.1Very low210 Ų210126.4 Ų126.482%0.82475%0.748SS**  trans52.3112.4135.4-64.7-83.7000120.3
411L33.1Very low32.9Very low139 Ų139130.3 Ų130.373%0.72875%0.751SS**  62.4135.985.2-64.4-172000114.6
412N31.5Very low32.7Very low130 Ų130130.3 Ų130.370%0.69576%0.758SS**  cis-154.3139.931.2-139.8-19.7000115.4
413S31.1Very low32Very low94 Ų94128.5 Ų128.566%0.65776%0.761SS**  trans24.5123.1146.4-51.70000122.2
414S29.6Very low31.7Very low116 Ų116130 Ų13081%0.81176%0.763SS**  166.5157.1101.1-74.20000115.9
415S31.8Very low30.9Very low105 Ų105127.3 Ų127.373%0.73476%0.761SS**  trans72.4125155.6-163.20000120.7
416T30.1Very low30.6Very low128 Ų128126 Ų12679%0.78576%0.763SS**  178.1144124.824.70000108.9
417Q32.3Very low29.9Very low146 Ų146126.8 Ų126.868%0.68277%0.769SS**  cis-161141.8-10.3-170.4173.712.100110.4T419Q417-T419 PolarHBondContact NE2-OG1 3.03Å
418T26.3Very low29.3Very low149 Ų149126.5 Ų126.591%0.91477%0.767SS**  trans-146.6140.9141.3140000108
419T30.5Very low28.7Very low88 Ų88127.1 Ų127.154%0.5477%0.765SS.*  trans-101.5129-151.2-54.50000114.1Q417 L421Q417-T419 PolarHBondContact NE2-OG1 3.03Å; T419-L421 HydrophobicContact CG2-CG 4.24Å
420E24.7Very low28.2Very low181 Ų181128.8 Ų128.885%0.84677%0.77SS**  trans-125.2145.2151-82.3-73.6144.200106.9
421L29.9Very low27.9Very low151 Ų151126.3 Ų126.379%0.79177%0.77SS**  trans-120.6124.4177.2-80.2169.1000109T419T419-L421 HydrophobicContact CG2-CG 4.24Å
422P34.3Very low27.5Very low126 Ų126125 Ų12582%0.81877%0.772SS**  -148.3142.7119.735.5-19.8000115.8
423S25Very low27.2Very low106 Ų106127.1 Ų127.174%0.74178%0.778SS**  trans-162.6154.3153.6-143.50000106.7
424E28.1Very low26.9Very low187 Ų187125.2 Ų125.287%0.87477%0.774SS**  cis-149.2170.5-0.4-153.1162.5-164.400108.1
425G27.8Very low26.8Very low66 Ų66126.4 Ų126.468%0.6877%0.771SS**  trans-119.6128.8-175.700000114.8
426S24.4Very low26.6Very low120 Ų120127.2 Ų127.284%0.83977%0.771SS**  trans-164.1151.6163.5-86.10000113.8
427S23.3Very low26.4Very low114 Ų114130.1 Ų130.180%0.79777%0.773SS**  trans67.991.7158.2-58.50000120.7
428S22.9Very low26.2Very low115 Ų115128.2 Ų128.280%0.80478%0.776SS**  34.9115119.5171.30000120
429S23.7Very low26.2Very low115 Ų115131.8 Ų131.880%0.80477%0.773SS**  -178.6157.5107.843.20000113
430C22.1Very low25.9Very low118 Ų118139.1 Ų139.180%0.79779%0.791SS**  trans-111.2174.6167.7-68.50000110.3
431L23.7Very low26.1Very low159 Ų159138.7 Ų138.783%0.83279%0.793SS**  trans80.4145.6169.2-89.281.6000119.3
432S24.7Very low26.8Very low110 Ų110136.5 Ų136.577%0.76979%0.788SS**  trans69148.8151.666.80000118.2
433Q24.2Very low27.5Very low175 Ų175136 Ų13682%0.81879%0.785SS**  cis-165.5173.9-21176.4160.3-9.300107
434G25.4Very low27.8Very low55 Ų55136.9 Ų136.957%0.56779%0.788SS**  trans-58.6179.3166.800000112.6
435D28.4Very low28Very low140 Ų140133.3 Ų133.375%0.74978%0.783SS**  cis-172.717538.9-90-48.2000107.6
436T27.3Very low28.9Very low122 Ų122134.9 Ų134.975%0.74878%0.782SS**  cis-157.9171-2.710.70000107.5
437K26.4Very low29.1Very low190 Ų190137 Ų13783%0.82678%0.778SS**  156.498.9105.7-165.2159.9-172.2172.50114.8
438S27Very low29.3Very low106 Ų106138.1 Ų138.174%0.74178%0.775SS**  trans74.3142.6133.1-179.60000120
439R26Very low29.5Very low224 Ų224139.8 Ų139.885%0.84577%0.774SS**  cis179.4130.1-16.3171.2-175.5-179.2-163.42.8109.1
440R24.4Very low29.6Very low242 Ų242140 Ų14091%0.91377%0.771SS**  trans-175167.2138.2-104.6168.5-162.8-117.44.3111.7
441L28.8Very low29.8Very low171 Ų171142.1 Ų142.190%0.89577%0.773SS**  trans-130.4170.7-170.9-87.4167.2000110.3
442P44.3Very low31.4Very low106 Ų106139.6 Ų139.669%0.68877%0.767SS**  trans-102.5-146.3-161.244.6-38.9000111.2
443P49.8Very low32.1Very low115 Ų115140.3 Ų140.375%0.74777%0.769SS**  cis-108.4-158.5-37.434.5-16.8000110.4
444P30.4Very low32.4Very low125 Ų125138.9 Ų138.981%0.81277%0.767SS**  -156.5173.6101.540.7-22000117.9
445S32.6Very low33.7Very low111 Ų111141 Ų14178%0.77677%0.77SS**  trans-167.9-177.4166.768.90000108.9
446P47Very low33.6Very low100 Ų100138.7 Ų138.765%0.64977%0.765SS**  cis-128.3-104.6-6.137-15.4000113.1
447H28.5Very low33.6Very low165 Ų165140 Ų14076%0.76477%0.768SS**  trans76.5129.1177.2-56.8-55.6000116.9
448N27.1Very low33.7Very low137 Ų137137.5 Ų137.573%0.73377%0.768SS**  cis-145.415135.4-95.4-31.8000115.6
449L28.1Very low33.7Very low150 Ų150139.4 Ų139.479%0.78577%0.769SS**  trans36.9141.9137.8-8580.6000121.8
450T24.8Very low33.6Very low120 Ų120140.1 Ų140.174%0.73677%0.772SS**  cis-153.3173.57.4-61.10000110.7
451L26.8Very low33.7Very low161 Ų161135.3 Ų135.384%0.84376%0.763SS**  trans-108.3-163.8179.1-131.276.1000113.3
452P57.4Low34Very low107 Ų107132.7 Ų132.770%0.69576%0.756SS**  trans-104.2-171-144.647.5-33.6000113.3
453P38.5Very low33.3Very low125 Ų125132.5 Ų132.581%0.81276%0.757SS**  -155.9-143.778.145.1-22.6000114.1
454D31.6Very low32.3Very low145 Ų145131.5 Ų131.578%0.77575%0.753SS**  trans-142.4-176.6172.8-153.937.2000106
455P51.5Low32.4Very low98 Ų98133.4 Ų133.464%0.63675%0.751SS**  cis-143.8-171.86.545.8-26.2000118
456S26.6Very low32.2Very low92 Ų92134.6 Ų134.664%0.64375%0.749SS**  trans90.9133141.875.20000123.1
457N28.5Very low31.2Very low150 Ų150133.4 Ų133.480%0.80274%0.743SS**  trans52.2132.7146.5-62.2-16.7000122.9
458V27.8Very low31.3Very low138 Ų138133.4 Ų133.484%0.83675%0.745SS**  174.1118116.8152.50000114.3
459L26.3Very low31.2Very low146 Ų146132.4 Ų132.476%0.76474%0.74SS**  trans40120.2140.1-16173.7000123.6
460R25.6Very low31.2Very low238 Ų238132.4 Ų132.490%0.89874%0.74SS**  -173.5154.9115.2-102.1171.8-170162.66114.6
461I26.1Very low31.3Very low141 Ų141135.1 Ų135.172%0.72374%0.744SS**  trans-141.4137-174.3-75.7170.3000107.1
462P35Very low32.4Very low117 Ų117132.9 Ų132.976%0.7674%0.739SS**  -120.8143.692.3-1.523.9000111.7
463S28.7Very low30.9Very low101 Ų101132.1 Ų132.171%0.70674%0.742SS**  cis69.7127.941.881.80000113.9
464S30.5Very low30.2Very low95 Ų95132.2 Ų132.266%0.66475%0.746SS**  cis-141-157.510.654.50000109.6
465Q30.5Very low30.1Very low164 Ų164130.5 Ų130.577%0.76675%0.745SS**  cis-167.3166.6-3.1-128.3152.1-43.800104.4
466N28.9Very low29.8Very low136 Ų136130.4 Ų130.473%0.72774%0.744SS**  cis-175.4169.7-25.8-107.150.1000106.3
467S27.1Very low29.8Very low76 Ų76134.7 Ų134.753%0.53175%0.751SS.*  cis-179.4142.3-30.353.80000110.2
468M29.1Very low29.7Very low164 Ų164132.3 Ų132.381%0.80874%0.743SS**  trans70.6154.7144.9-75.3160141.400118.8
469D26.3Very low29.7Very low117 Ų117132.2 Ų132.263%0.62674%0.738SS**  cis-156.2164.34.2-128.6-23.7000117.1
470L27.9Very low29.7Very low150 Ų150132.7 Ų132.779%0.78574%0.741SS**  trans63.9162.2146.2-78159.9000125.8
471H25.9Very low29.9Very low176 Ų176128.8 Ų128.882%0.81574%0.736SS**  trans-133.3179.4-176.2-90.7-70.2000108.4
472P51.6Low30.1Very low114 Ų114129.6 Ų129.674%0.7474%0.741SS**  cis-138.6-172.2-40.740-22.4000114.2
473A24.3Very low29.7Very low92 Ų92129.5 Ų129.576%0.7674%0.743SS**  trans92152.5145.300000123.5
474S25.2Very low29.6Very low127 Ų127127.7 Ų127.789%0.88874%0.741SS**  trans78.1146.716266.40000122.2
475S28.2Very low29.5Very low108 Ų108128.2 Ų128.276%0.75574%0.744SS**  trans-119.4-175.6166.561.90000107.7
476P45.6Very low29.4Very low97 Ų97130.4 Ų130.463%0.6375%0.745SS**  cis-141.7-154.311.532.4-5.2000115.2
477F26.9Very low29.5Very low181 Ų181131.9 Ų131.979%0.79475%0.745SS**  trans75152.7171.6-65.1-83.8000118.5
478T27.2Very low29.4Very low101 Ų101133.9 Ų133.962%0.6275%0.75SS**  cis-162.3177.4-38.527.60000110.7
479D26.5Very low29.3Very low136 Ų136132.3 Ų132.373%0.72775%0.749SS**  trans87.495.3147-55.7-38.8000123.5
480D27.6Very low30.3Very low156 Ų156131.5 Ų131.583%0.83475%0.75SS**  80.1166109.1-113.522.1000126
481I29Very low30.3Very low155 Ų155131.3 Ų131.380%0.79575%0.75SS**  trans86.1132.8171.4-59.4178.9000117.7
482L30.3Very low30.4Very low159 Ų159127.6 Ų127.683%0.83274%0.744SS**  cis-170.3159.7-21.2-179.458.6000111.3
483S26.2Very low29.3Very low115 Ų115126.4 Ų126.480%0.80474%0.744SS**  trans96.2135152.6-153.10000118.9
484G27.8Very low29.4Very low63 Ų63128.2 Ų128.265%0.64975%0.746SS**  cis164.5159.9-11.900000117.5
485S27.2Very low29.5Very low105 Ų105131.6 Ų131.673%0.73474%0.739SS**  trans76.4150.5163.6-71.60000120.2
486R29.8Very low29.4Very low211 Ų211133.3 Ų133.380%0.79674%0.735SS**  cis-173.6155.6-28.5-138.987.8171.8-107.9-2.1111.2
487K29.2Very low28.4Very low167 Ų167135.4 Ų135.473%0.72675%0.746SS**  trans69155.1151.2-72175.6156.6-83.50119.4
488D25.6Very low28.3Very low118 Ų118130.8 Ų130.863%0.63174%0.742SS**  cis-154.8172.6-9.1-112.5-19.4000113.2
489V26.5Very low28.3Very low130 Ų130135.2 Ų135.279%0.78876%0.755SS**  trans-147.7-174.3-176.3-64.50000109.7
490P47.1Very low28.1Very low100 Ų100133.2 Ų133.265%0.64975%0.752SS**  cis-142.8-150.34.437.3-11.5000115.1
491N28.2Very low28Very low147 Ų147131.6 Ų131.679%0.78675%0.747SS**  trans86.5148.5151.8-73.8-3.2000121.4
492S28.2Very low27.8Very low97 Ų97129.9 Ų129.968%0.67874%0.744SS**  cis-173.4150.9-10.950.20000115.1
493A28.2Very low27.4Very low89 Ų89133.5 Ų133.574%0.73675%0.747SS**  trans67.1155.4144.500000119.3
494T27.6Very low27.3Very low131 Ų131131.7 Ų131.780%0.80475%0.746SS**  cis-163.4169.2-7.67.60000112.2
495R27.6Very low27.2Very low198 Ų198136.4 Ų136.475%0.74776%0.757SS**  trans91109.6143.1-91.6-170.4147154.3-2.6124.1
496E25.7Very low27.1Very low144 Ų144135.3 Ų135.367%0.67375%0.754SS**  70.1137.6116.4-78.8175.3-134.700124.8
497T24.3Very low26.9Very low140 Ų140135.2 Ų135.286%0.85976%0.759SS**  trans106.6152.6152.3-34.90000117.1
498A25.1Very low26.8Very low85 Ų85136 Ų13670%0.70277%0.766SS**  trans-131.6-162.4-164.400000112.1
499Q25.7Very low27Very low194 Ų194136.2 Ų136.291%0.90777%0.773SS**  trans74.3158.2-178.8-60.1-172.415.400114.4
500S23.6Very low26.8Very low94 Ų94138.1 Ų138.166%0.65778%0.778SS**  cis-175.5178.4-23.2173.30000107.4
501T24.7Very low25.7Very low121 Ų121137.8 Ų137.874%0.74278%0.778SS**  trans79.5150.7148.8-47.60000117.2
502V24.8Very low25.7Very low119 Ų119136.5 Ų136.572%0.72178%0.778SS**  -160.9151.2-50.185.80000110.1
503R22.6Very low25.4Very low235 Ų235136.9 Ų136.989%0.88778%0.776SS**  trans42.2120.4151.3-170.1-172.3-63.3-145-1.6120.8
504G24.8Very low25.4Very low77 Ų77141.5 Ų141.579%0.79478%0.78SS**  trans-156.2146.8156.400000111.6
505N23.9Very low25.9Very low163 Ų163140.7 Ų140.787%0.87278%0.777SS**  trans-162.2130-171.1-175.715000112.9
506A26.1Very low25.7Very low81 Ų81134.7 Ų134.767%0.66978%0.776SS**  trans162.2121139.200000116.8
507K25.7Very low26Very low209 Ų209138 Ų13891%0.90978%0.782SS**  trans68.6152.9136.6-62.5-176.4177.2-178.10122.9
508Q26.5Very low26.3Very low185 Ų185137.2 Ų137.286%0.86478%0.778SS**  trans-111.8-177.4-176.3-57167.6-63.700111.9
509P29.6Very low26.7Very low121 Ų121137.4 Ų137.479%0.78678%0.78SS**  -146.9148.2112.938.3-23.7000118.9
510L23.5Very low27.2Very low170 Ų170136.2 Ų136.289%0.8977%0.774SS**  trans68.3168.5147.5-112.565.5000123.8
511S22.7Very low28Very low94 Ų94137.8 Ų137.866%0.65777%0.771SS**  trans-157.3172.9-154.954.20000113.6
512P28.1Very low28.6Very low120 Ų120135.5 Ų135.578%0.77977%0.765SS**  -135.1153.4122.836.9-26.1000113.6
513T23.8Very low29.2Very low105 Ų105135 Ų13564%0.64476%0.762SS**  cis84.7122.533.5-72.70000112.5
514F26.5Very low29.7Very low186 Ų186130.7 Ų130.782%0.81675%0.751SS**  cis-167.8-175.8-3.4-107.2-32000108.3
515P38.1Very low30.2Very low114 Ų114134.3 Ų134.374%0.7475%0.745SS**  cis-132.4160.8-34.436.2-20.1000114.2
516G24.1Very low30.7Very low71 Ų71131.5 Ų131.573%0.73273%0.734SS**  trans-123.1141.2158.400000110.2
517R31.1Very low31.2Very low213 Ų213131.9 Ų131.980%0.80473%0.728SS**  trans-96.7130.1-179.4-88.5-176.5161.7134.51112.2E521R517-E521 IonicContact CZ-OE2 2.69Å; R517-E521 IonicContact NE-OE2 2.89Å; R517-E521 PolarHBondContact NE-OE2 3.22Å; R517-E521 IonicContact NH2-OE2 3.91Å
518T30.5Very low31.4Very low124 Ų124126 Ų12676%0.76171%0.713SS**  trans-139.3127.9174.339.80000113E520T518-E520 VanDerWaalsContact C-N 3.32Å; T518-E520 PolarHBondContact O-N 2.86Å
519A35.5Very low31.7Very low90 Ų90123.7 Ų123.774%0.74471%0.706SS**SBendtrans49.1-38.8152.200000122.9
520E35.9Very low31.9Very low168 Ų168126.3 Ų126.379%0.78571%0.708SS**SBendtrans-94.5-23.7-165.6-61.7-166.4136.400114.5T518 A522 V523T518-E520 VanDerWaalsContact C-N 3.32Å; T518-E520 PolarHBondContact O-N 2.86Å; E520-A522 PolarHBondContact O-N 2.89Å; E520-V523 PolarHBondContact O-N 2.97Å
521E40.4Very low32.1Very low128 Ų128125.6 Ų125.660%0.59871%0.705SS**Hα-helixtrans-59-30.9172.9-74.5-167109.600112.6R517 V523 H524 F525R517-E521 IonicContact CZ-OE2 2.69Å; R517-E521 IonicContact NE-OE2 2.89Å; R517-E521 PolarHBondContact NE-OE2 3.22Å; R517-E521 IonicContact NH2-OE2 3.91Å; E521-V523 VanDerWaalsContact C-N 3.29Å; E521-V523 PolarHBondContact O-N 2.08Å; E521-H524 PolarHBondContact O-N 3.37Å; E521-F525 PolarHBondContact O-N 3.2Å
522A36.9Very low32.3Very low73 Ų73132.4 Ų132.460%0.60372%0.716SS**Hα-helixtrans-67.6-24.7-174.800000114E520E520-A522 PolarHBondContact O-N 2.89Å
523V37.5Very low32.2Very low109 Ų109138.6 Ų138.666%0.66172%0.724SS**Hα-helixtrans-93.6-26.8-176.9-177.50000111.8E520 E521 T527E520-V523 PolarHBondContact O-N 2.97Å; E521-V523 VanDerWaalsContact C-N 3.29Å; E521-V523 PolarHBondContact O-N 2.08Å; V523-T527 PolarHBondContact O-OG1 2.89Å
524H33.3Very low32.3Very low143 Ų143144.6 Ų144.666%0.66274%0.735SS**Hα-helixtrans-90.7-12.5-176.2-139.8-64.1000114.7E521E521-H524 PolarHBondContact O-N 3.37Å
525F34.2Very low32.3Very low154 Ų154143.8 Ų143.868%0.67574%0.738SS**Hα-helixtrans-74.5-37.3173.4-164.9-102.9000112.4E521 L529E521-F525 PolarHBondContact O-N 3.2Å; F525-L529 HydrophobicContact CE1-CD1 4.41Å
526V35.6Very low31.9Very low103 Ų103145 Ų14562%0.62474%0.738SS**Hα-helixtrans-72.8-33.9-176.7-178.80000112.4
527T35.4Very low32.1Very low90 Ų90147.7 Ų147.755%0.55274%0.743SS**Hα-helixtrans-82.5-14.8-180440000114.3V523V523-T527 PolarHBondContact O-OG1 2.89Å
528S30.6Very low31.8Very low86 Ų86142.8 Ų142.860%0.60174%0.741SS**Hα-helixtrans-79.6-24.9-178.5-163.70000113.7
529L32.1Very low31.6Very low136 Ų136147.1 Ų147.171%0.71274%0.744SS**THydrogen-bonded Turntrans-88.2-8.8-173.1-86.7165.6000115.8F525F525-L529 HydrophobicContact CE1-CD1 4.41Å
530Q34.7Very low31.1Very low175 Ų175149.9 Ų149.982%0.81875%0.751SS**THydrogen-bonded Turntrans-102.30.1-175-72.8-168.8-22.300115.6
531N28.1Very low30.6Very low155 Ų155149 Ų14983%0.82975%0.747SS**SBendtrans-13642.5-173.2-118.8-23.6000115.2
532R25.9Very low29.8Very low238 Ų238150.5 Ų150.590%0.89875%0.754SS**SBendtrans-138.847.5173.3-149.5-170.7-174.8-155.61.4116.9
533R26.2Very low29.1Very low250 Ų250155.4 Ų155.494%0.94376%0.762SS**  trans-165.388.2143.6-155.3165.5-66.4-169.60.9114
534R25.2Very low28.5Very low231 Ų231155.3 Ų155.387%0.87277%0.773SS**  trans-133.698.6160.3-169-169.7-142.8-104.15.2110
535L27.3Very low28.1Very low169 Ų169153 Ų15389%0.88577%0.773SS**  trans-145.2129.1167.2-85.5173.7000108.4
536N28.6Very low27.7Very low139 Ų139154.7 Ų154.774%0.74378%0.782SS**  trans-78.2164.9162.7-59.6-3.4000108.1
537P29.7Very low27.3Very low127 Ų127153.9 Ų153.983%0.82580%0.795SS**  -145.4174.183.540-24000114.8
538S24.6Very low26.7Very low111 Ų111153.4 Ų153.478%0.77681%0.808SS**  trans-88.1173.1160.1510000111.2
539R26.2Very low26.4Very low215 Ų215157 Ų15781%0.81182%0.82SS**  trans6897.3-177.4-74.9-175.7156.7179.6-4.9117
540V24.5Very low26.8Very low147 Ų147156.2 Ų156.289%0.89182%0.822SS**  -131.2126.2119.1176.10000107
541E25.5Very low26.4Very low150 Ų150154.9 Ų154.970%0.70182%0.818SS**  trans-91.6129.9164.8-70161.575.400108
542Q23.8Very low26.3Very low160 Ų160155.3 Ų155.375%0.74882%0.815SS**  166.2154.8121.5-93.4-174.6-16.100113.9
543F22.5Very low26.3Very low175 Ų175150.2 Ų150.277%0.76881%0.81SS**  trans50.990.8162.5-62.3-61.9000119.9
544A25.2Very low26.4Very low108 Ų108141.3 Ų141.389%0.89380%0.796SS**  trans-14894.9139.300000109.7
545S24.2Very low27.1Very low95 Ų95136.4 Ų136.466%0.66479%0.794SS**  trans-100.2156.2174.9-71.70000111.9
546H26.6Very low27.5Very low189 Ų189134.8 Ų134.888%0.87579%0.786SS**  trans81.5128.9161.4-54.6-47.8000120.5
547G26Very low28Very low86 Ų86134.4 Ų134.489%0.88779%0.791SS**  trans91.6123.9146.600000116.7
548G24.4Very low28.2Very low80 Ų80136.7 Ų136.783%0.82579%0.788SS**  cis-178.3155.8-6.100000113.1
549L24.3Very low28.3Very low162 Ų162139.8 Ų139.885%0.84880%0.795SS**  trans-67.6169.1165.8-78.7157.2000110.7
550P40.1Very low28.6Very low119 Ų119135.1 Ų135.177%0.77379%0.791SS**  cis-137-165.126.823.73.8000114.5
551M24.8Very low29Very low146 Ų146131.9 Ų131.972%0.71979%0.787SS**  cis179.9170-40-171.617372.400108.3
552Q26.4Very low29.6Very low164 Ų164134.6 Ų134.677%0.76680%0.797SS**  trans78.2146.9166.9-58.2-165.2-21.200117.1
553V26.6Very low30.4Very low131 Ų131131.3 Ų131.379%0.79479%0.788SS**  cis-150.1163.4-9.6117.70000110.3
554G27.7Very low31.5Very low63 Ų63125.5 Ų125.565%0.64977%0.769SS**  trans-82.6-154.4179.100000115.2
555P41.3Very low32.6Very low129 Ų129124.3 Ų124.384%0.83875%0.753SS**  cis-130.2-173.721.242.4-26.1000116.3
556N34.4Very low34Very low135 Ų135126.7 Ų126.772%0.72275%0.754SS**  trans-83.1171.6173.4-59.7-84000112.1
557P39Very low35Very low130 Ų130123 Ų12384%0.84474%0.736SS**  -128.8163.987.338-31.4000114.7
558K34Very low36Very low175 Ų175123.3 Ų123.376%0.76172%0.717SS**  trans-95.6156.6175.7-62.2176.6179.2177.20111.1
559L27.7Very low37.2Very low177 Ų177125.2 Ų125.293%0.92770%0.704SS**  trans-133.8145.7140.6-166.860.7000109
560T31.7Very low38.6Very low117 Ų117123.6 Ų123.672%0.71869%0.692SS**  trans-118.6132.4-163.544.60000112.7
561G33.3Very low39.2Very low78 Ų78119.3 Ų119.380%0.80466%0.662SS**  trans-156.837.7177.700000113.2
562F38.2Very low40.6Very low208 Ų208117.2 Ų117.291%0.91265%0.653SS**PPolyproline II helixtrans-97.5125.9176.9-84.5-90.8000111
563V39.3Very low41.5Very low91 Ų91114.6 Ų114.655%0.55264%0.641SS**PPolyproline II helixtrans-65.6131.2157.7179.40000107.5
564S47.6Very low42.4Very low53 Ų53112.8 Ų112.837%0.37162%0.624SS.*PPolyproline II helixtrans-65.4141.4179.263.40000110.9E566 K567S564-E566 PolarHBondContact O-N 3.36Å; S564-E566 VanDerWaalsContact O-N 3.14Å; S564-K567 PolarHBondContact O-N 2.94Å
565S47.3Very low43.1Very low82 Ų82113.4 Ų113.457%0.57361%0.612SS**Hα-helixtrans-59.2-26.5178.149.90000112.3L568 Q569S565-L568 PolarHBondContact O-N 2.86Å; S565-Q569 WeakPolarHBondContact O-CB 3.25Å; S565-Q569 PolarHBondContact O-N 3.22Å
566E53.1Low43.4Very low146 Ų146109.6 Ų109.668%0.68259%0.588SS**Hα-helixtrans-57.6-47.1177.2-67152.2-124.900112.5S564 L568 Q569 E570S564-E566 PolarHBondContact O-N 3.36Å; S564-E566 VanDerWaalsContact O-N 3.14Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.31Å; E566-Q569 WeakPolarHBondContact O-CB 3.41Å; E566-Q569 PolarHBondContact O-N 2.89Å; E566-E570 WeakPolarHBondContact O-CB 3.29Å; E566-E570 PolarHBondContact O-N 3.48Å
567K47.5Very low43.8Very low111 Ų111108.2 Ų108.248%0.48358%0.578SS.*Hα-helixtrans-69-30.2176.4-74.9-165.1172.5-170.80113.1S564 I571S564-K567 PolarHBondContact O-N 2.94Å; K567-I571 WeakPolarHBondContact O-CD1 3.39Å; K567-I571 WeakPolarHBondContact O-CG1 3.47Å; K567-I571 PolarHBondContact O-N 3.1Å
568L47.9Very low43.8Very low93 Ų93107.5 Ų107.549%0.48757%0.567SS.*Hα-helixtrans-72.2-37.6174.5-171.364.2000111.1S565 E566 I572S565-L568 PolarHBondContact O-N 2.86Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.31Å; L568-I572 HydrophobicContact CG-CD1 4.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.13Å; L568-I572 VanDerWaalsContact O-CG1 3.3Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.91Å
569Q48.9Very low44.1Very low119 Ų119102.5 Ų102.556%0.55656%0.559SS**Hα-helixtrans-60.9-46.3173.2-158.884.630.200110.7S565 E566 I571 I572 Q573S565-Q569 WeakPolarHBondContact O-CB 3.25Å; S565-Q569 PolarHBondContact O-N 3.22Å; E566-Q569 WeakPolarHBondContact O-CB 3.41Å; E566-Q569 PolarHBondContact O-N 2.89Å; Q569-I571 PolarHBondContact O-N 2.75Å; Q569-I572 PolarHBondContact O-N 2.88Å; Q569-Q573 WeakPolarHBondContact O-CB 3.26Å; Q569-Q573 PolarHBondContact O-N 3.31Å
570E53.6Low44.7Very low128 Ų12898.5 Ų98.560%0.59854%0.542SS*.Hα-helixtrans-60.2-43.8-178.5-167.9168.1-131.100112.6E566 Q573 E574E566-E570 WeakPolarHBondContact O-CB 3.29Å; E566-E570 PolarHBondContact O-N 3.48Å; E570-Q573 VanDerWaalsContact O-CB 3.31Å; E570-Q573 WeakPolarHBondContact O-CB 3.38Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.16Å; E570-E574 PolarHBondContact O-N 3.47Å
571I52.5Low44.8Very low29 Ų2997.7 Ų97.715%0.14953%0.533CS..Hα-helixtrans-66.6-38.3176.7-63161.1000111.8L392 K567 Q569 Q573 L575L392-I571 HydrophobicContact CD1-CD1 3.49Å; L392-I571 VanDerWaalsContact CD1-CD1 3.49Å; K567-I571 WeakPolarHBondContact O-CD1 3.39Å; K567-I571 WeakPolarHBondContact O-CG1 3.47Å; K567-I571 PolarHBondContact O-N 3.1Å; Q569-I571 PolarHBondContact O-N 2.75Å; I571-Q573 VanDerWaalsContact C-N 3.28Å; I571-L575 HydrophobicContact CG2-CD1 4.23Å; I571-L575 WeakPolarHBondContact O-CG 3.35Å; I571-L575 PolarHBondContact O-N 3.24Å
572I54.7Low44.9Very low102 Ų102102.7 Ų102.752%0.52354%0.535SS..Hα-helixtrans-68.5-31.9174.7-67167.7000110.5L568 Q569 S576L568-I572 HydrophobicContact CG-CD1 4.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.13Å; L568-I572 VanDerWaalsContact O-CG1 3.3Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.91Å; Q569-I572 PolarHBondContact O-N 2.88Å; I572-S576 PolarHBondContact O-N 3.5Å
573Q45.4Very low44.8Very low109 Ų10998.7 Ų98.751%0.50953%0.527SS..Hα-helixtrans-68.8-47.6174.6-151.983.627.700111.2Q569 E570 I571 L575 S576 M577Q569-Q573 WeakPolarHBondContact O-CB 3.26Å; Q569-Q573 PolarHBondContact O-N 3.31Å; E570-Q573 VanDerWaalsContact O-CB 3.31Å; E570-Q573 WeakPolarHBondContact O-CB 3.38Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.16Å; I571-Q573 VanDerWaalsContact C-N 3.28Å; Q573-L575 PolarHBondContact O-N 3.41Å; Q573-S576 PolarHBondContact O-N 2.92Å; Q573-S576 VanDerWaalsContact O-N 3.11Å; Q573-S576 PolarHBondContact O-OG 2.84Å; Q573-M577 WeakPolarHBondContact O-CG 3.26Å; Q573-M577 PolarHBondContact O-N 3.33Å
574E44.8Very low44.7Very low94 Ų9497.8 Ų97.844%0.43953%0.53SS..Hα-helixtrans-53.3-54.1174.9-76.5-168.6142.200111.5K388 E570 S576 M577K388-E574 IonicContact NZ-OE2 2.64Å; K388-E574 PolarHBondContact NZ-OE2 3.42Å; E570-E574 PolarHBondContact O-N 3.47Å; E574-S576 PolarHBondContact O-N 3.04Å; E574-M577 PolarHBondContact O-N 3.38Å
575L42.8Very low43.9Very low76 Ų76101.8 Ų101.840%0.39855%0.546SS..Hα-helixtrans-60.5-19.2-179.4-73.9165.7000113.4A385 I571 Q573A385-L575 HydrophobicContact CB-CD1 4.19Å; I571-L575 HydrophobicContact CG2-CD1 4.23Å; I571-L575 WeakPolarHBondContact O-CG 3.35Å; I571-L575 PolarHBondContact O-N 3.24Å; Q573-L575 PolarHBondContact O-N 3.41Å
576S47.2Very low43.3Very low49 Ų49108.9 Ų108.934%0.34356%0.561SS.*Hα-helixtrans-86.2-17.2175.478.60000114.4I572 Q573 E574 V580I572-S576 PolarHBondContact O-N 3.5Å; Q573-S576 PolarHBondContact O-N 2.92Å; Q573-S576 VanDerWaalsContact O-N 3.11Å; Q573-S576 PolarHBondContact O-OG 2.84Å; E574-S576 PolarHBondContact O-N 3.04Å; S576-V580 WeakPolarHBondContact O-CG2 3.44Å
577M43.7Very low41.9Very low105 Ų105111.9 Ų111.952%0.51757%0.572SS.*Hα-helixtrans-93.9-42.4-173.8-68.3-68.396.400113.2Q573 E574 A579 V580 L581Q573-M577 WeakPolarHBondContact O-CG 3.26Å; Q573-M577 PolarHBondContact O-N 3.33Å; E574-M577 PolarHBondContact O-N 3.38Å; M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.39Å; M577-V580 PolarHBondContact O-N 2.91Å; M577-L581 PolarHBondContact O-N 3.45Å
578D38.6Very low41.3Very low115 Ų115112.9 Ų112.962%0.61559%0.589SS**Hα-helixtrans-62.9-37.5179.9-73.2-30.5000112V580 L581 E582D578-V580 PolarHBondContact O-N 3.32Å; D578-V580 VanDerWaalsContact O-N 3.16Å; D578-L581 PolarHBondContact O-N 3Å; D578-E582 PolarHBondContact O-N 2.82Å
579A40.5Very low40.3Very low70 Ų70111.6 Ų111.658%0.57960%0.599SS**Hα-helixtrans-62.2-19.4173.700000113.9M577 T583M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.39Å; A579-T583 PolarHBondContact O-OG1 2.89Å
580V40.4Very low39.4Very low94 Ų94115.6 Ų115.657%0.5762%0.617SS**Hα-helixtrans-96.9-32177.2177.60000111.2S576 M577 D578 T583S576-V580 WeakPolarHBondContact O-CG2 3.44Å; M577-V580 PolarHBondContact O-N 2.91Å; D578-V580 PolarHBondContact O-N 3.32Å; D578-V580 VanDerWaalsContact O-N 3.16Å; V580-T583 PolarHBondContact O-N 3.38Å
581L33.5Very low38.2Very low100 Ų100114.2 Ų114.252%0.52463%0.628SS.*Hα-helixtrans-73.7-40.8-173.4-171.857.3000113.7M577 D578 T583 A584 L585M577-L581 PolarHBondContact O-N 3.45Å; D578-L581 PolarHBondContact O-N 3Å; L581-T583 PolarHBondContact O-N 3.15Å; L581-A584 PolarHBondContact O-N 2.97Å; L581-A584 VanDerWaalsContact O-N 3.11Å; L581-L585 HydrophobicContact CD1-CD1 4.23Å
582E36.2Very low37Very low183 Ų183118.2 Ų118.286%0.85566%0.658SS**THydrogen-bonded Turntrans-60.7-31.9173.1-87.7-134.9120.800112.3D578 A584D578-E582 PolarHBondContact O-N 2.82Å; E582-A584 PolarHBondContact O-N 3.46Å
583T35.9Very low35.7Very low123 Ų123122.6 Ų122.676%0.75567%0.674SS**THydrogen-bonded Turntrans-71.4-13.5179.7-43.80000112.6A579 V580 L581A579-T583 PolarHBondContact O-OG1 2.89Å; V580-T583 PolarHBondContact O-N 3.38Å; L581-T583 PolarHBondContact O-N 3.15Å
584A35.6Very low34.7Very low73 Ų73123.4 Ų123.460%0.60369%0.686SS**THydrogen-bonded Turntrans-100-21.2-174.500000115L581 E582L581-A584 PolarHBondContact O-N 2.97Å; L581-A584 VanDerWaalsContact O-N 3.11Å; E582-A584 PolarHBondContact O-N 3.46Å
585L32.6Very low33.6Very low136 Ų136124.5 Ų124.571%0.71270%0.704SS**  trans-110.860.8-167.5-75.2173.3000114.4L581L581-L585 HydrophobicContact CD1-CD1 4.23Å
586R33.1Very low32.7Very low232 Ų232126.3 Ų126.388%0.87572%0.723SS**  trans-143.935.8167.1-125.6175.2-161.3154.79.4117.2
587F25.2Very low31.6Very low208 Ų208132.7 Ų132.791%0.91275%0.747SS**  trans-132.6119.4163.6-79.3-80.2000111.2
588P34.3Very low31.3Very low132 Ų132132.1 Ų132.186%0.85775%0.752SS**  trans-79.6156.8168.933.6-33.6000111.3
589G26.6Very low30.6Very low66 Ų66137.4 Ų137.468%0.6876%0.763SS**  trans-143.7-163177.800000112.8
590Q30Very low29.8Very low203 Ų203140.3 Ų140.395%0.94977%0.768SS**  trans75.2145.7-170.6-55.8-17213.700114.4
591A27.9Very low29Very low99 Ų99142 Ų14282%0.81877%0.774SS**  cis-154.9176.5-15.200000110.2
592S28.3Very low28.7Very low113 Ų113142.4 Ų142.479%0.7978%0.781SS**  trans-95.6152.3-170.353.40000115.2
593K27.2Very low28.4Very low195 Ų195141.4 Ų141.485%0.84878%0.78SS**  trans-170.9112.5146-107.2159.3-173.81770115.5
594T23.6Very low27.7Very low126 Ų126140.9 Ų140.977%0.77378%0.782SS**  trans35.2117.2135.454.80000123.5
595S22.6Very low27.9Very low116 Ų116142.7 Ų142.781%0.81179%0.787SS**  94.7153.7119.4-1540000122.7
596S24.1Very low27.8Very low114 Ų114144.3 Ų144.380%0.79780%0.796SS**  trans80.1125.3166.467.70000120.9
597Q24.5Very low27.5Very low183 Ų183138.1 Ų138.186%0.85579%0.788SS**  trans-94.9-167.9154.6-47.6179.7-3200108
598P37.2Very low27.7Very low93 Ų93136.3 Ų136.360%0.60479%0.787SS**  cis-140.6-169.1-6.143.2-24.7000115.5
599R23.7Very low27.3Very low227 Ų227135.1 Ų135.186%0.85778%0.781SS**  trans72.8150.1150.4-80175.8-172.7174.32.1117.9
600L23.9Very low27.3Very low131 Ų131137.9 Ų137.969%0.68679%0.789SS**  cis-167.3164.3-13-169.569.5000109.3
601N24.3Very low27.1Very low128 Ų128133 Ų13368%0.68478%0.778SS**  trans72.2145.4151-92.210.8000118.6
602T25.8Very low27.1Very low110 Ų110137.7 Ų137.768%0.67578%0.783SS**  cis-160178.1-9.2-8.20000111.6
603L29.2Very low27.1Very low162 Ų162138 Ų13885%0.84878%0.784SS**  trans83.6111.2159.3-70.8153.9000118.9
604S22.1Very low27.1Very low112 Ų112136.6 Ų136.678%0.78379%0.785SS**  trans-116.3171.2155.6-44.90000107.6
605P40.7Very low27.3Very low110 Ų110140.6 Ų140.671%0.71479%0.792SS**  -153.3159.381.339-20.1000117.4
606L29.3Very low27.5Very low171 Ų171143.6 Ų143.690%0.89579%0.794SS**  trans52131.3146.4-64166.1000119.3
607S27Very low27.7Very low102 Ų102148.8 Ų148.871%0.71380%0.797SS**  cis-155.5177.210.968.10000109.4
608L29.1Very low28Very low169 Ų169145.3 Ų145.389%0.88579%0.791SS**  cis-130.2-142.78.4-162.763.3000109.7
609C26.2Very low27.7Very low108 Ų108146.8 Ų146.873%0.7380%0.803SS**  trans-156.9131-172.3-170.80000114.3
610S26.6Very low28.2Very low123 Ų123142.9 Ų142.986%0.8680%0.804SS**  -168.1144.4128.4-1670000109
611S26.7Very low28.5Very low102 Ų102141.5 Ų141.571%0.71381%0.805SS**  trans-120.8129.6-155.3-54.40000114.2
612H27.6Very low28.8Very low197 Ų197141.2 Ų141.291%0.91281%0.811SS**PPolyproline II helixtrans-82133161-84.1-89.6000110.5
613S28.6Very low29.3Very low118 Ų118144.8 Ų144.883%0.82582%0.819SS**PPolyproline II helixtrans-88.6143.4173.345.40000111.9
614L26.9Very low29.6Very low166 Ų166141.4 Ų141.487%0.86982%0.815SS**PPolyproline II helixtrans-76.2141.1174-73.4158.7000110.9
615F27.8Very low30.1Very low210 Ų210142.7 Ų142.792%0.92182%0.817SS**  trans-141144.3147.7-108.7-78.9000110.8
616Q26.3Very low29.9Very low180 Ų180149.4 Ų149.484%0.84183%0.829SS**PPolyproline II helixtrans-102.7138.2-165.9-166.1170.56.300110.7P618Q616-P618 WeakPolarHBondContact O-CD 3.05Å
617Y29Very low30.1Very low222 Ų222150.5 Ų150.587%0.87183%0.826SS**PPolyproline II helixtrans-71.1129.6-177-90-98.7000113.1
618P30.7Very low30.5Very low111 Ų111157.4 Ų157.472%0.72184%0.836SS**PPolyproline II helixtrans-83.7142.8152.7-5.225.1000110.2Q616Q616-P618 WeakPolarHBondContact O-CD 3.05Å
619S30.5Very low30.6Very low124 Ų124160.8 Ų160.887%0.86784%0.838SS**PPolyproline II helixtrans-79.8146.1172.847.50000111.8
620V34.6Very low30.9Very low145 Ų145160.6 Ų160.688%0.87984%0.835SS**  trans-125.3129.3173.9179.60000109
621S29.5Very low31.5Very low101 Ų101160.9 Ų160.971%0.70683%0.834SS**  trans-87.1149.9-176.253.40000113H623S621-H623 PolarHBondContact O-N 3.1Å; S621-H623 VanDerWaalsContact O-N 3.09Å
622P31.7Very low31.6Very low123 Ų123165.3 Ų165.380%0.79984%0.841SS**SBendtrans-91.553.8-161.337.5-38.9000114.4
623H35.1Very low31.6Very low185 Ų185164.6 Ų164.686%0.85684%0.837SS**  trans-126.756-178.4-89.121.2000114.1S621S621-H623 PolarHBondContact O-N 3.1Å; S621-H623 VanDerWaalsContact O-N 3.09Å
624A35.2Very low31.7Very low91 Ų91165 Ų16575%0.75284%0.837SS**  trans-153.5170.4167.100000112.8
625V32.3Very low31.7Very low138 Ų138162.6 Ų162.684%0.83683%0.834SS**  trans66.781.5167.5-163.50000116.8
626R37.8Very low31.8Very low251 Ų251164.3 Ų164.395%0.94783%0.834SS**  trans-124.760155.6-155.5-178.6-153.9175.19.7112.3
627K32.5Very low31.9Very low194 Ų194167.5 Ų167.584%0.84384%0.839SS**  trans-147.8109.8171.9-104170.1-176.11750112.6
628R34.9Very low31.8Very low247 Ų247161.3 Ų161.393%0.93283%0.834SS**  trans13.9136.4156.6-57.2178.9-179.2173.6-0.9119.9
629R32.6Very low31.6Very low241 Ų241163.7 Ų163.791%0.90984%0.84SS**  trans-129.1163.5155.3-85.7-167.7175.4-175.2-0.1111.5
630P32.7Very low31.4Very low104 Ų104163.7 Ų163.768%0.67584%0.839SS**  trans-81.9177.4-162.9-12.431.4000114.8
631P38.9Very low30.9Very low128 Ų128162.2 Ų162.283%0.83184%0.836SS**PPolyproline II helixtrans-74.2149.4-175.731.6-35.5000113.1
632F29.5Very low30.7Very low196 Ų196163.3 Ų163.386%0.8684%0.843SS**PPolyproline II helixtrans-99.8134.1173.8-73.9-89.6000111.3
633H26.8Very low30.4Very low182 Ų182162.6 Ų162.684%0.84384%0.84SS**PPolyproline II helixtrans-70.3142.2161.1-93.5-84.7000110.2S635H633-S635 PolarHBondContact O-N 2.93Å
634P30Very low29.9Very low125 Ų125163.7 Ų163.781%0.81284%0.842SS**PPolyproline II helixtrans-75.6119.7168.530.6-32.3000110.3
635S27Very low29.4Very low116 Ų116169.8 Ų169.881%0.81185%0.848SS**PPolyproline II helixtrans-91143.3171.849.60000111.5H633H633-S635 PolarHBondContact O-N 2.93Å
636R30.3Very low29.1Very low247 Ų247169.5 Ų169.593%0.93285%0.846SS**PPolyproline II helixtrans-66.2145175.2-75.1-175.4175.8-161.9-0.5111
637R28.8Very low28.5Very low246 Ų246160.2 Ų160.293%0.92883%0.829SS**PPolyproline II helixtrans-73.7127.6155.7-169.8178.4-66173.3-0.3108.2
638A26.4Very low28.4Very low93 Ų93156.3 Ų156.377%0.76983%0.826SS**PPolyproline II helixtrans-99.3163.3177.300000111.4
639L27.7Very low27.9Very low161 Ų161152 Ų15284%0.84382%0.822SS**  trans-145136.2167.5-158.879000109.8
640S25.5Very low28.1Very low123 Ų123146.7 Ų146.786%0.8682%0.816SS**  trans61.1155.8175.762.10000117.5
641S24.1Very low28.2Very low115 Ų115147.2 Ų147.280%0.80482%0.819SS**  trans-142.8139.7-171.258.30000112.6
642S25.5Very low27.6Very low124 Ų124148.2 Ų148.287%0.86782%0.816SS**  trans-149.3159.5153.655.40000108.8
643C24.1Very low27.3Very low107 Ų107144.4 Ų144.472%0.72381%0.812SS**  trans-112.8165-157.3-62.50000115.2
644F24.6Very low27.1Very low208 Ų208143.7 Ų143.791%0.91281%0.809SS**  trans93.8141.6156.2-67.5-70.5000121.5
645Y25.1Very low27Very low219 Ų219144.2 Ų144.286%0.85980%0.804SS**  trans-84.2172167.8-119.6-125.4000108.4
646T27.1Very low27Very low132 Ų132145.6 Ų145.681%0.8180%0.796SS**  cis-140.4-176.633.652.50000111.7
647G25.3Very low26.9Very low57 Ų57143.3 Ų143.359%0.58879%0.787SS**  trans-126.8-147179.200000115.2
648S28.7Very low26.8Very low112 Ų112137.4 Ų137.478%0.78377%0.774SS**  trans73.3124.217236.80000120.6
649D25.9Very low26.9Very low157 Ų157138.8 Ų138.884%0.8477%0.773SS**  trans95158.2135.1-59.8-7.3000123.6
650V36.6Very low26.7Very low129 Ų129136.6 Ų136.678%0.78277%0.77SS**  trans-119.5144.7-160.1176.90000110.7
651P34.8Very low26.7Very low114 Ų114138.8 Ų138.874%0.7477%0.767SS**  trans-139.4167145.321.8-0.6000113.7
652I26.5Very low26.8Very low150 Ų150141.4 Ų141.477%0.76977%0.766SS**  cis-174.3176.3-31.6-110.7161.6000107.3
653C23.2Very low26.8Very low116 Ų116144.1 Ų144.178%0.78477%0.765SS**  trans90.9139.2173.9-67.20000116.6
654E22.4Very low27Very low167 Ų167146 Ų14678%0.7877%0.767SS**  cis-113.9146.3-1.9-74.3-164.3100.500111
655L26.7Very low27.8Very low135 Ų135140.8 Ų140.871%0.70776%0.755SS**  61.7134.476.5-119.568.7000112.4
656K27.1Very low27.8Very low146 Ų146136.8 Ų136.864%0.63575%0.748SS**  cis-169.1127.623.6-169.2170.7-176.1177.50114.6
657R28.9Very low27.7Very low198 Ų198137.5 Ų137.575%0.74774%0.742SS**  trans66.4163.8146.3-71.2178.7-172.3-166-1.4119.5
658D27.5Very low27.8Very low123 Ų123139.7 Ų139.766%0.65875%0.745SS**  cis-162.5176.2-8-105.4-20.3000107.1
659T27.2Very low27.6Very low121 Ų121141.2 Ų141.274%0.74274%0.739SS**  cis-172.4162.5-38.1-880000108.2
660C24.8Very low27.6Very low116 Ų116141.7 Ų141.778%0.78473%0.734SS**  trans-75156.6-174.1-50.30000115.9
661E25Very low26.9Very low169 Ų169145.9 Ų145.979%0.7974%0.736SS**  165.9150.9111.6-92.4-160.2134.900114.8
662H25.3Very low26.4Very low169 Ų169144 Ų14478%0.78273%0.73SS**  trans50.6158.6163.5-72.8-48.8000119.3
663Q25.8Very low26.3Very low182 Ų182143.9 Ų143.985%0.8573%0.731SS**  cis-149167.915.2-148.5166.722.200110.3
664N27.8Very low26.2Very low145 Ų145143.7 Ų143.778%0.77573%0.729SS**  trans-115.9150.3170.1-140.440.9000108.1
665P42.5Very low26.3Very low99 Ų99140.8 Ų140.864%0.64373%0.727SS**  -138.3-167.173.444.4-28.2000112.2
666D24.9Very low26.4Very low135 Ų135140.5 Ų140.572%0.72273%0.731SS**  cis-159.517324-129.8-29.5000114.3
667E25.6Very low26.4Very low147 Ų147139.7 Ų139.769%0.68774%0.738SS**  trans49106.1154-65-88.663.300120.4
668T26Very low26.3Very low104 Ų104137.2 Ų137.264%0.63874%0.74SS**  71.5145.381.268.20000116.1
669H26Very low26.3Very low143 Ų143139.8 Ų139.866%0.66275%0.753SS**  cis-165.4157.3-16.6-131.1-75000111.9
670F24.1Very low26.4Very low168 Ų168140.4 Ų140.474%0.73775%0.752SS**  trans61.5174.8161.5-68.2-62.3000118.4
671R23Very low26.6Very low217 Ų217143.8 Ų143.882%0.81975%0.753SS**  cis-174.7154.6-43.6-168.5-164.8-176.4163.20.3110.9
672A24.9Very low26.8Very low75 Ų75139.9 Ų139.962%0.6275%0.745SS**  trans79127.3152.800000121.5
673D22.7Very low26.9Very low147 Ų147138 Ų13879%0.78674%0.744SS**  40.2125.4129.3-60.3-64.4000124.4
674C22.1Very low27Very low111 Ų111137.1 Ų137.175%0.7574%0.74SS**  78.3143.3127.9-71.50000124.6
675S24.4Very low27.1Very low106 Ų106136.7 Ų136.774%0.74173%0.734SS**  trans73.1106.4147.547.70000122.7
676V28.7Very low26.5Very low130 Ų130140 Ų14079%0.78874%0.738SS**  38.5110.7118.5-173.70000119.6
677T26.7Very low26.7Very low128 Ų128142.8 Ų142.879%0.78575%0.747SS**  -175.7129.2124.216.80000107
678D28.1Very low26.7Very low147 Ų147139 Ų13979%0.78675%0.747SS**  4998.174-91.4-17.7000114.8
679L27Very low27.1Very low177 Ų177140.5 Ų140.593%0.92775%0.751SS**  -160.1151.1111.4-147.464.3000113.4
680D28.3Very low27.4Very low134 Ų134140.6 Ų140.672%0.71775%0.75SS**  trans-89.2152179.7176.126.6000112.7
681K29.8Very low27.8Very low186 Ų186139.1 Ų139.181%0.80975%0.745SS**  trans176115.4130.1-99.1-175.2175.5-171.10118.1
682S28.3Very low28.1Very low88 Ų88137.3 Ų137.362%0.61575%0.746SS**  26128.3124.667.70000123.8
683V28Very low28.3Very low128 Ų128142.6 Ų142.678%0.77676%0.758SS**  trans-150.9119.3136.6-171.90000104.4
684E29Very low28.7Very low164 Ų164143 Ų14377%0.76676%0.755SS**  59.1140.778.6-68.4-175.2144.900114
685E30Very low29Very low137 Ų137144.3 Ų144.364%0.6475%0.75SS**  cis-153.4-171.56.3-133-172.6158.300114.2
686K28.8Very low29.3Very low168 Ų168141.8 Ų141.873%0.7374%0.736SS**  trans-44178.2179.4-67.2154.8-166.7156.70117.5
687E28.4Very low29.4Very low194 Ų194143.2 Ų143.291%0.90773%0.731SS**  cis-128.6167.922.3-62.7167.411600110.9
688G27.2Very low29.4Very low67 Ų67143.6 Ų143.669%0.69173%0.729SS**  cis102.1127.929.800000108.9
689D32.7Very low29.2Very low136 Ų136141.3 Ų141.373%0.72772%0.723SS**  cis-147.1-158.88.3-112.928.1000107.3
690K33.9Very low29.2Very low144 Ų144139 Ų13963%0.62671%0.708SS**  cis-165170.97.6-134.4143179.6440108.7
691E31.7Very low29.1Very low137 Ų137142.3 Ų142.364%0.6471%0.71SS**  cis-120.9-91.8-11.3-169.272.8-71.800111.9
692E30.1Very low28.9Very low179 Ų179142.3 Ų142.384%0.83671%0.713SS**  cis-161.7-179.1-5.2-155.5159.9-8900110.6
693E29.5Very low28.8Very low187 Ų187142.6 Ų142.687%0.87472%0.72SS**  trans-100.3160-168.4-59.3-172.8122.700114.3
694E31Very low28.8Very low156 Ų156141.5 Ų141.573%0.72972%0.718SS**  cis-166.5-174.6-29.3-110.4-73.173.400105.7
695E28.2Very low28.7Very low137 Ų137144.4 Ų144.464%0.6472%0.722SS**  cis-131.9161.69.3-159.7-94.2115.900111.2K697E695-K697 IonicContact OE1-NZ 2.83Å; E695-K697 PolarHBondContact OE1-NZ 2.98Å; E695-K697 IonicContact OE2-NZ 3.22Å; E695-K697 PolarHBondContact OE2-NZ 3.39Å
696A30Very low28.5Very low54 Ų54142.3 Ų142.345%0.44672%0.722SS.*  trans-79.4164.7-166.200000116.8
697K29.9Very low28.5Very low159 Ų159142.3 Ų142.369%0.69173%0.725SS**  -176.491.6113.2-94.4160.1-146.566.90115.5E695E695-K697 IonicContact OE1-NZ 2.83Å; E695-K697 PolarHBondContact OE1-NZ 2.98Å; E695-K697 IonicContact OE2-NZ 3.22Å; E695-K697 PolarHBondContact OE2-NZ 3.39Å
698N26.8Very low28.5Very low137 Ų137139.4 Ų139.473%0.73372%0.715SS**  44.3113.9117.3-158.339.3000121.6
699C24.9Very low28.5Very low98 Ų98142.1 Ų142.166%0.66272%0.722SS**  trans65.5155.1135.6-82.30000121.3
700Q26.4Very low28.9Very low129 Ų129141.1 Ų141.160%0.60372%0.723SS**  cis179.4161.2-4.7158.3178.996.300111.5
701R26.5Very low28.5Very low203 Ų203141.2 Ų141.277%0.76673%0.73SS**  trans69.6129.1166.4-78.6155.3-168162.75.6116.8
702H25Very low28.2Very low187 Ų187144.2 Ų144.287%0.86674%0.736SS**  80.7141.558.1-98.8-102.4000115.5
703A26.9Very low27.8Very low94 Ų94145.6 Ų145.678%0.77773%0.733SS**  trans74152.2169.600000117.5
704S27.1Very low27.7Very low105 Ų105142.8 Ų142.873%0.73473%0.732SS**  cis-174.5-179-48.751.10000108.4
705R27.7Very low27.5Very low225 Ų225139.7 Ų139.785%0.84973%0.734SS**  trans73.796.2159.8-87-176.1168.3173.9-3.4120.5
706S26.5Very low27.4Very low92 Ų92143.2 Ų143.264%0.64374%0.741SS**  71.1121.9106.768.70000123.6
707H27.8Very low27.4Very low168 Ų168147.5 Ų147.578%0.77875%0.752SS**  trans83.3122.1134.6-83.1-66.2000123.1
708N28.1Very low27.2Very low133 Ų133145.8 Ų145.871%0.71175%0.75SS**  trans82.6102.4143.3-60.7-0.6000121
709C28.8Very low27.1Very low124 Ų124145.4 Ų145.484%0.83876%0.757SS**  trans44.5136.4130.7-66.70000121
710P39.5Very low27.1Very low115 Ų115146 Ų14675%0.74776%0.762SS**  -15516979.242.1-23.5000119.4
711L25.8Very low28.6Very low146 Ų146145.5 Ų145.576%0.76477%0.77SS**  trans36.7129.1144.1-84.680.7000124.4
712W25Very low28.7Very low200 Ų200143.9 Ų143.976%0.75877%0.771SS**  87.2135.2126.5-93.556.9000125.4
713R22.2Very low29Very low209 Ų209143.7 Ų143.779%0.78977%0.77SS**  trans99.2138.1138.5-159.1172.8-75.4178.84.1119.3
714C28.9Very low29Very low127 Ų127142.2 Ų142.286%0.85876%0.764SS**  trans-107.1161.2-177.9-39.90000113.3
715A25.3Very low29.1Very low91 Ų91141.8 Ų141.875%0.75277%0.767SS**  trans-140.2132.7153.800000107
716R26.4Very low29.2Very low211 Ų211139.2 Ų139.280%0.79677%0.765SS**  67.1141.170.5-89.5-179.9169.7-158.25.8113
717Q29.1Very low29.3Very low144 Ų144143.4 Ų143.467%0.67377%0.774SS**  cis-151.8161.117.8-152.7152.9-47.300116
718N27.5Very low29.4Very low124 Ų124142.4 Ų142.466%0.66378%0.775SS**  trans-42.3161.9176.4-30.8-13.7000118.5
719C24Very low29.5Very low129 Ų129141.8 Ų141.887%0.87277%0.771SS**  -161.1173.3106.2-108.70000112.5
720S25.3Very low29.6Very low110 Ų110138.8 Ų138.877%0.76975%0.751SS**  trans-138.6-139.6-161.2-55.60000115.1
721P58.4Low29.3Very low118 Ų118137 Ų13777%0.76675%0.754SS**  -128.8-174.5-126.541.7-21.7000116.1
722E27.4Very low29.6Very low170 Ų170137 Ų13779%0.79475%0.748SS**  trans-170136148.3-110.2172.7177.200111.9
723H30.8Very low29.9Very low183 Ų183134.5 Ų134.585%0.84775%0.745SS**  70.3145.9101.9-75.730.5000116.9
724G27.1Very low30.3Very low63 Ų63134 Ų13465%0.64974%0.743SS**  cis-142.3172.60.400000112.4
725A30.5Very low30.3Very low96 Ų96135.7 Ų135.779%0.79374%0.737SS**  72142.998.900000114.5
726E28Very low30.5Very low170 Ų170142.8 Ų142.879%0.79475%0.745SS**  cis-160.5159.522-148.2150.9-124.600112.7
727E30.4Very low30.5Very low180 Ų180138.2 Ų138.284%0.84174%0.744SS**  trans15.2167.8155.5-62.5176.8166.700124.6
728D29.8Very low30.4Very low148 Ų148138.8 Ų138.879%0.79175%0.75SS**  -149.6-134.6-51.8-162.738.1000106.4S730D728-S730 PolarHBondContact OD2-N 3.44Å
729D29.6Very low30.5Very low119 Ų119143.1 Ų143.164%0.63676%0.757SS**  cis-110.2153.3-2.3165.438.2000110.6K732D729-K732 VanDerWaalsContact CG-NZ 3.3Å; D729-K732 IonicContact OD1-NZ 3.21Å; D729-K732 PolarHBondContact OD1-NZ 3.05Å; D729-K732 VanDerWaalsContact OD1-NZ 3.16Å; D729-K732 IonicContact OD2-NZ 2.76Å; D729-K732 PolarHBondContact OD2-NZ 3.18Å
730S31.5Very low30.6Very low61 Ų61142.7 Ų142.743%0.42775%0.746SS.*  trans-38.2151.6160.768.10000114.6D728 K732D728-S730 PolarHBondContact OD2-N 3.44Å; S730-K732 PolarHBondContact O-NZ 2.99Å; S730-K732 WeakPolarHBondContact OG-CE 3.37Å; S730-K732 PolarHBondContact OG-NZ 3.42Å
731G31.5Very low30.6Very low77 Ų77142.4 Ų142.479%0.79474%0.744SS**  cis149.4-130.236.600000106.3
732K33.3Very low29.2Very low148 Ų148142.2 Ų142.264%0.64375%0.746SS**  cis-149.5130.3-11-6994.1161146.80103.5D729 S730D729-K732 VanDerWaalsContact CG-NZ 3.3Å; D729-K732 IonicContact OD1-NZ 3.21Å; D729-K732 PolarHBondContact OD1-NZ 3.05Å; D729-K732 VanDerWaalsContact OD1-NZ 3.16Å; D729-K732 IonicContact OD2-NZ 2.76Å; D729-K732 PolarHBondContact OD2-NZ 3.18Å; S730-K732 PolarHBondContact O-NZ 2.99Å; S730-K732 WeakPolarHBondContact OG-CE 3.37Å; S730-K732 PolarHBondContact OG-NZ 3.42Å
733Q32Very low29.2Very low147 Ų147137.3 Ų137.369%0.68774%0.741SS**  cis-131.6-124.310.9-148.7179.617.400108.7
734R29Very low28.9Very low198 Ų198137.2 Ų137.275%0.74773%0.734SS**  cis-148.2-126-0.7-165.9147.7-79.9166.4-1.8111.4
735H30.5Very low28.9Very low162 Ų162143.9 Ų143.975%0.7574%0.74SS**  trans-145.4163.1-163.5-68.4-17.3000112
736R27.7Very low28.8Very low240 Ų240145 Ų14591%0.90673%0.733SS**  cis-151166.330-146.2174.9-157.7175.45.3113.1
737C26.9Very low29Very low115 Ų115142.6 Ų142.678%0.77774%0.735SS**  trans-64.7164.6-174.7-47.10000114.9
738I27.1Very low29.2Very low157 Ų157141.2 Ų141.281%0.80573%0.733SS**  -165.3126.173.4-80.7168.3000106.7
739R28.8Very low29.1Very low214 Ų214138.5 Ų138.581%0.80873%0.726SS**  75.9130.470.9-155.7-178.8-166.1161.914.2113.7
740D26.6Very low29.2Very low121 Ų121138.4 Ų138.465%0.64773%0.734SS**  cis-157.2170.4-7.1-103.4-15.3000109.7
741S25.6Very low29.1Very low103 Ų103140.9 Ų140.972%0.7275%0.752SS**  trans55.1123.9149.3-151.90000119.8
742S28.2Very low29.2Very low114 Ų114141.4 Ų141.480%0.79774%0.743SS**  54.714157.486.50000115
743G27.8Very low29.1Very low68 Ų68139.7 Ų139.770%0.70175%0.745SS**  cis-179.1-159.1-000000111.5
744Y25.3Very low29Very low180 Ų180139 Ų13971%0.70675%0.746SS**  trans66.2158.9175.5-93.8-43.2000116.9D746Y744-D746 WeakPolarHBondContact CE1-OD2 3.48Å
745W28Very low28.9Very low203 Ų203139 Ų13977%0.76975%0.748SS**  cis-126.8168.59.6-94.1101.6000114.8
746D28.1Very low28.8Very low121 Ų121136 Ų13665%0.64774%0.744SS**  trans-75.3-174.1-174.5-56.9-80.7000116.4Y744Y744-D746 WeakPolarHBondContact CE1-OD2 3.48Å
747S32.1Very low28.8Very low118 Ų118134.1 Ų134.183%0.82574%0.738SS**  trans-119.8143.7173.6-580000111.2
748D33.8Very low28.9Very low152 Ų152137.5 Ų137.581%0.81374%0.736SS**  trans-154.2141.6153.6-139.8-26.3000115.3
749S28.7Very low28.9Very low91 Ų91137.5 Ų137.564%0.63673%0.732SS**  trans38.9111.3151-70.20000125.2
750S31.8Very low29.2Very low117 Ų117137 Ų13782%0.81873%0.73SS**  81.3159.5115.7-610000123.3
751S29.4Very low29.9Very low113 Ų113136.6 Ų136.679%0.7973%0.734SS**  trans81.3145.9166.5-151.10000117.6
752S32.1Very low30.1Very low88 Ų88141.1 Ų141.162%0.61574%0.737SS**  cis-169.3167.5-32.550.60000111.7
753T32.3Very low30.2Very low111 Ų111141.2 Ų141.268%0.68174%0.736SS**  trans60.3130.6147.744.20000124.3
754D29.4Very low30.3Very low132 Ų132145.3 Ų145.371%0.70674%0.742SS**  100.6122127.6-67.91.2000126.2
755Y27.1Very low30.6Very low199 Ų199141.8 Ų141.878%0.7874%0.744SS**  trans43.8117.4143-71.6-86.7000125
756C28.9Very low30.8Very low100 Ų100137.7 Ų137.768%0.67675%0.745SS**  trans16.6132.1133.2-530000121.3
757Y27.4Very low30.9Very low200 Ų200139.4 Ų139.478%0.78475%0.753SS**  -174.2127.1100.1-116.7-110.6000114.7
758Y29Very low30.9Very low185 Ų185141.8 Ų141.873%0.72575%0.751SS**  trans64.9162.2141.8-92.1-110.4000126.3
759H26.8Very low30.6Very low158 Ų158146.1 Ų146.173%0.73176%0.756SS**  trans71.196.9157.4-88.5-59.4000123.9
760R34.6Very low30.6Very low203 Ų203145 Ų14577%0.76676%0.759SS**  trans-74.1153.2137.8-153-169.6-156.5168.36110
761P41.3Very low30.4Very low113 Ų113144.2 Ų144.273%0.73475%0.753SS**  trans-128.4-176.1134.937.3-29.1000113.2
762Y30.1Very low30.3Very low197 Ų197147.3 Ų147.377%0.77375%0.753SS**  trans-95.7169-166.4-82.3-115.9000113.4
763C29.9Very low30.3Very low116 Ų116150 Ų15078%0.78476%0.76SS**  trans-102.1118.8162.3-179.20000107.7
764D29.8Very low30.1Very low154 Ų154149.8 Ų149.882%0.82476%0.763SS**  trans-108.9135.6174.6-94.8-50.1000110.6
765S32.7Very low30.1Very low107 Ų107147.6 Ų147.675%0.74876%0.758SS**  trans-108114.9176.6-660000109.9
766C30.7Very low30.1Very low116 Ų116144.8 Ų144.878%0.78476%0.756SS**  trans178.5142.1137.9-97.90000113.5
767L30.3Very low30.2Very low158 Ų158145.5 Ų145.583%0.82776%0.762SS**  trans69151.6163-57.2155.2000114.8
768Q31.9Very low30.4Very low167 Ų167140.5 Ų140.578%0.7876%0.757SS**  cis-148.4119.112.6-153.3163.8-2.100114G770Q768-G770 PolarHBondContact O-N 3.5Å
769R29.3Very low30.6Very low243 Ų243136.3 Ų136.392%0.91776%0.755SS**  trans34.271135.3-154.5-178.9-161.7151.33.7121.4
770G27.1Very low30.8Very low67 Ų67135.3 Ų135.369%0.69175%0.754SS**  69.1169121.300000124.7Q768Q768-G770 PolarHBondContact O-N 3.5Å
771S27.6Very low30.7Very low101 Ų101130.6 Ų130.671%0.70675%0.753SS**  trans91.6144.3156.476.20000121.3
772F28.6Very low30.3Very low179 Ų179129.9 Ų129.979%0.78575%0.75SS**  trans64.2122.2174.1-53.7-76.1000116.9
773L30.6Very low30.4Very low145 Ų145126.9 Ų126.976%0.75975%0.748SS**  89120.352.1-100.2166.8000113.3
774S28.8Very low30.5Very low105 Ų105125.9 Ų125.973%0.73474%0.742SS**  trans65.3158.7159.2-75.30000117.7
775S29.4Very low30.7Very low87 Ų87126.8 Ų126.861%0.60874%0.741SS**  cis-168.4163.6-21.9-102.80000109.3
776D27.7Very low30.5Very low140 Ų140132 Ų13275%0.74975%0.746SS**  trans61.5132.7147.3-53.7-18.3000123
777S29.8Very low30.7Very low114 Ų114134 Ų13480%0.79774%0.744SS**  trans74.1149.6138.8-65.80000121.8
778S31.7Very low30.6Very low96 Ų96131.6 Ų131.667%0.67173%0.732SS**  cis-169.4173.9-23610000110.1
779S33.3Very low30.6Very low97 Ų97133.2 Ų133.268%0.67873%0.732SS**  trans71.8145149.8-65.20000119.4
780D32.1Very low30.7Very low136 Ų136126.7 Ų126.773%0.72772%0.72SS**  cis-165.7170.6-18.5-121.6-58.2000112.1
781S31.9Very low30.8Very low104 Ų104130.4 Ų130.473%0.72772%0.724SS**  trans65.9155.5162.775.70000117.5
782S33.4Very low30.9Very low98 Ų98133.7 Ų133.769%0.68573%0.733SS**  cis-177.6158.7-13.4-98.80000107.8
783D31.3Very low30.9Very low134 Ų134131.1 Ų131.172%0.71774%0.735SS**  cis-164.5-178-11.5-129104.7000111.8
784S33Very low30.8Very low96 Ų96135.8 Ų135.867%0.67174%0.743SS**  trans69.1142.9161.171.20000119.6
785E33Very low31Very low172 Ų172136 Ų13680%0.80474%0.742SS**  cis-158.9138.4-10.6-118.9175.1157.500111.7
786Y29.4Very low31.2Very low216 Ų216137.8 Ų137.885%0.84775%0.751SS**  trans47.4143.1149-91.3-119.7000122.9
787E34.4Very low31.3Very low159 Ų159142.4 Ų142.474%0.74376%0.758SS**  cis149.5151.8-22.6-92.6-75.2-106.800107.1
788D29.2Very low31.5Very low107 Ų107142.4 Ų142.457%0.57276%0.756SS**  cis-150.3170.9-16.1168.938.9000105.7
789Y31.2Very low31.5Very low202 Ų202143.7 Ų143.779%0.79276%0.759SS**  177.4127.6125.5-114.2-93.7000114.5
790T31.7Very low31.2Very low105 Ų105145.2 Ų145.264%0.64476%0.764SS**  trans73.585.6155.131.80000121.3
791N28.9Very low31Very low146 Ų146146.9 Ų146.978%0.78177%0.765SS**  20.9121.9112-83.3-65.7000119.2
792L30Very low30.9Very low170 Ų170150.8 Ų150.889%0.8977%0.769SS**  -178.4126.9106-99.8167.4000112.9
793C27.9Very low31.2Very low124 Ų124153.2 Ų153.284%0.83877%0.774SS**  trans-67.4144.3173.6-65.40000112.5
794R28Very low31.4Very low243 Ų243153.7 Ų153.792%0.91778%0.777SS**  trans-128.1135164.6-104.3-178.7170.6138.90.1110.6
795P34.5Very low31.5Very low110 Ų110157.4 Ų157.471%0.71479%0.788SS**PPolyproline II helixtrans-74.7160.5-175.431.2-36.3000112.5R797P795-R797 PolarHBondContact O-N 3.21Å
796P33.3Very low31.4Very low124 Ų124158.4 Ų158.481%0.80579%0.79SS**PPolyproline II helixtrans-59134.9168.426.6-34.4000110.2
797R30.3Very low32Very low237 Ų237153.7 Ų153.789%0.89479%0.786SS**PPolyproline II helixtrans-67.6133.5-179.6-64.9178.6178.9177-1110.1P795P795-R797 PolarHBondContact O-N 3.21Å
798P32.3Very low31.9Very low115 Ų115152.3 Ų152.375%0.74779%0.788SS**PPolyproline II helixtrans-64.7139.4170.228.1-33.7000109.9V800P798-V800 PolarHBondContact O-N 3.11Å; P798-V800 VanDerWaalsContact O-N 3.16Å
799V31.8Very low32.1Very low122 Ų122154.8 Ų154.874%0.73980%0.801SS**  trans-72.7107.4171.7176.50000107.9F801V799-F801 PolarHBondContact O-N 2.56Å
800V27.6Very low32.3Very low129 Ų129155.3 Ų155.378%0.78283%0.825SS**  trans-67.7102170.71790000108P798 K802P798-V800 PolarHBondContact O-N 3.11Å; P798-V800 VanDerWaalsContact O-N 3.16Å; V800-K802 PolarHBondContact O-N 3.15Å
801F29.1Very low32.3Very low172 Ų172157.9 Ų157.975%0.75483%0.834SS**  trans-60.7128.1160.3-82-94.3000107.7V799 D803V799-F801 PolarHBondContact O-N 2.56Å; F801-D803 PolarHBondContact O-N 3.48Å
802K29.7Very low32.5Very low185 Ų185158.5 Ų158.580%0.80484%0.836SS**  trans-90.1105.5176.9-168.6173.3-177.8179.90108.3V800 D804V800-K802 PolarHBondContact O-N 3.15Å; K802-D804 PolarHBondContact O-N 2.82Å
803D38.9Very low32.6Very low150 Ų150157.8 Ų157.880%0.80283%0.833SS**  trans-63.9103.4-178.7-65.8-58.7000111.8F801F801-D803 PolarHBondContact O-N 3.48Å
804D36.3Very low32.9Very low144 Ų144159.8 Ų159.877%0.7783%0.833SS**  trans-153.237.2168.4-105.4-39000111.1K802K802-D804 PolarHBondContact O-N 2.82Å
805L35.1Very low33.2Very low173 Ų173154.6 Ų154.691%0.90683%0.828SS**  trans-116.973.8176-89.5163000110.8P807L805-P807 WeakPolarHBondContact O-CD 3.28Å
806K30.7Very low33.2Very low193 Ų193157.6 Ų157.684%0.83984%0.835SS**  trans-67124.6165.7-74.9-175.9177.1178.30109.7
807P41.5Very low33.1Very low118 Ų118160 Ų16077%0.76684%0.838SS**  trans-80.9127.2172.631.8-32000110.5L805L805-P807 WeakPolarHBondContact O-CD 3.28Å
808T32.4Very low33.4Very low130 Ų130154.1 Ų154.180%0.79883%0.833SS**  trans-125.977.4168.752.90000110.6
809L33.9Very low33.5Very low159 Ų159157.3 Ų157.383%0.83284%0.84SS**  trans38.6115.7137.6-70.3157.6000119.9
810V34.7Very low33.6Very low213 Ų213160.5 Ų160.5100%1.29185%0.85SS**  trans60.30148.3-163.80000117

Retrieved 810 of 810 residues in 209.2 ms (Link to these results)