A0A2K5ZLA7_MANLE Loading...

Acyltransferase PGAP2

Involved in the fatty acid remodeling steps of GPI-anchor maturation where the unsaturated acyl chain at sn-2 of inositol phosphate is replaced by a saturated stearoyl chain. May catalyze the second step of the fatty acid remodeling, by reacylating a lyso-GPI intermediate at sn-2 of inositol phosphate by a saturated chain. The fatty acid remodeling steps is critical for the integration of GPI-APs into lipid rafts.

AlphaFold DB , UniProt , Accession A0A2K5ZLA7, Species MANLE (Mandrillus leucophaeus, Drill), Gene PGAP2, Length 254 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
1M40.4Very low45.1Very low244 Ų244171.6 Ų171.6100%1.20286%0.861SS**  0118.80-88.1-179.8-177.900107.7Q3M1-Q3 PolarHBondContact O-N 3.28Å
2Y38Very low46.3Very low232 Ų232159.7 Ų159.791%0.9181%0.813SS**  trans-71119.8172.2-91.4-96.8000108.9V4Y2-V4 PolarHBondContact O-N 3.43Å
3Q40.8Very low47.3Very low190 Ų190153 Ų15389%0.88879%0.785SS**  trans-75.3104.4161.9-99.7172.9-36.500107.3M1M1-Q3 PolarHBondContact O-N 3.28Å
4V46.9Very low48.9Very low119 Ų119150.9 Ų150.972%0.72178%0.775SS**  trans-68.9125.7164.3-179.80000106.8Y2 L6Y2-V4 PolarHBondContact O-N 3.43Å; V4-L6 PolarHBondContact O-N 3.14Å; V4-L6 VanDerWaalsContact O-N 3.14Å
5P44.6Very low50.6Low116 Ų116145.7 Ų145.775%0.75375%0.753SS**  trans-65.7115.3169.1-9.624.4000107.4
6L42.7Very low52.1Low152 Ų152147 Ų14780%0.79675%0.745SS**  trans-56.7132.2165.7-12186.6000107.4V4 L8V4-L6 PolarHBondContact O-N 3.14Å; V4-L6 VanDerWaalsContact O-N 3.14Å; L6-L8 PolarHBondContact O-N 3.08Å; L6-L8 VanDerWaalsContact O-N 3.08Å
7P40.7Very low53.5Low113 Ų113142.1 Ų142.173%0.73472%0.721SS**  trans-64.7117.9176.326.6-29.8000108D9P7-D9 PolarHBondContact O-N 3.16Å
8L50.7Low55.1Low181 Ų181143.6 Ų143.695%0.94872%0.717SS**SBendtrans-75.448.4178.1-153.4105.2000110.6L6L6-L8 PolarHBondContact O-N 3.08Å; L6-L8 VanDerWaalsContact O-N 3.08Å
9D49.4Very low56.5Low143 Ų143136.7 Ų136.777%0.76568%0.682SS**  trans-151.768.5-171.3-15921000111.6P7P7-D9 PolarHBondContact O-N 3.16Å
10R49.7Very low57.7Low237 Ų237131 Ų13189%0.89465%0.654SS**  trans-164.540.7161.1-128.9178.5171.8-170.3-3.9117.3G12R10-G12 PolarHBondContact O-N 2.89Å
11D52.2Low58.8Low161 Ų161128 Ų12886%0.86164%0.643SS**SBendtrans-91.991.7171.2-73.2-23.5000111.6T13D11-T13 VanDerWaalsContact C-N 3.26Å; D11-T13 PolarHBondContact O-N 3.3Å; D11-T13 PolarHBondContact O-OG1 3.1Å
12G59.3Low60.8Low28 Ų28116.7 Ų116.729%0.28959%0.588SS.*  trans596.2140.800000120.5R10 L14 T246 S247R10-G12 PolarHBondContact O-N 2.89Å; G12-L14 PolarHBondContact O-N 3.18Å; G12-T246 CarbonylContact O-C 3.48Å; G12-T246 VanDerWaalsContact O-CA 3.23Å; G12-T246 WeakPolarHBondContact O-CA 3.23Å; G12-S247 VanDerWaalsContact CA-OG 3.26Å; G12-S247 WeakPolarHBondContact CA-OG 3.26Å; G12-S247 PolarHBondContact O-N 2.87Å; G12-S247 PolarHBondContact O-OG 2.81Å
13T60.2Low62.9Low73 Ų73105.8 Ų105.845%0.44855%0.545SS..EExtended strand (participates in β ladder)trans-77.7107.7-178.7-560000110.2D11 R16 L244D11-T13 VanDerWaalsContact C-N 3.26Å; D11-T13 PolarHBondContact O-N 3.3Å; D11-T13 PolarHBondContact O-OG1 3.1Å; T13-R16 HydrophobicContact CG2-CB 4.39Å; T13-L244 HydrophobicContact CG2-CD2 3.76Å
14L69.3Low65.1Low123 Ų123100.5 Ų100.564%0.64452%0.523SS*.EExtended strand (participates in β ladder)trans-80.3-40.9179.7-64.7174.9000111.8G12 I245G12-L14 PolarHBondContact O-N 3.18Å; L14-I245 HydrophobicContact CB-CG2 4.41Å; L14-I245 PolarHBondContact N-O 3.2Å
15V74Confident66.9Low73 Ų7397.2 Ų97.244%0.44250%0.503SS..EExtended strand (participates in β ladder)trans-144131.8-179.8-179.20000109.8I245V15-I245 HydrophobicContact CB-CB 4.19Å; V15-I245 HydrophobicContact CB-CD1 4.07Å; V15-I245 HydrophobicContact CB-CG1 4.28Å; V15-I245 HydrophobicContact CG2-CD1 4.44Å; V15-I245 PolarHBondContact N-O 3.36Å; V15-I245 PolarHBondContact O-N 3.5Å
16R74.3Confident68.8Low167 Ų16792 Ų9263%0.6347%0.469SS*.EExtended strand (participates in β ladder)trans-118.2112.2172.3-173.5176.4-158.3172.16109.1T13 E242 L243 L244T13-R16 HydrophobicContact CG2-CB 4.39Å; R16-E242 IonicContact CZ-OE2 3.05Å; R16-E242 IonicContact NE-OE1 3.94Å; R16-E242 IonicContact NE-OE2 2.68Å; R16-E242 PolarHBondContact NE-OE2 2.79Å; R16-E242 IonicContact NH2-OE1 3.98Å; R16-E242 IonicContact NH2-OE2 2.66Å; R16-E242 PolarHBondContact NH2-OE2 2.81Å; R16-L243 WeakPolarHBondContact CA-O 3.48Å; R16-L244 HydrophobicContact CB-CD2 4.11Å; R16-L244 HydrophobicContact CG-CD2 3.74Å
17L76.3Confident71Confident64 Ų6485.4 Ų85.434%0.33544%0.435SS..EExtended strand (participates in β ladder)trans-120.9126-178.9-169.174.1000109.7F19 V21 V22 L243L17-F19 PolarHBondContact O-N 3.3Å; L17-V21 HydrophobicContact CD1-CB 4.34Å; L17-V21 HydrophobicContact CD1-CG1 4.24Å; L17-V22 HydrophobicContact CD2-CG2 3.33Å; L17-V22 HydrophobicContact CG-CG2 4.15Å; L17-L243 HydrophobicContact CB-CB 4.43Å; L17-L243 PolarHBondContact N-O 3.38Å; L17-L243 PolarHBondContact O-N 2.78Å
18R81.8Confident73.4Confident169 Ų16982.6 Ų82.664%0.63842%0.417SS*.EExtended strand (participates in β ladder)trans-65.8132.4172.9-68-176.3176.3177.60.7109.3T20 V21 E242R18-T20 WeakPolarHBondContact CB-OG1 3.49Å; R18-T20 PolarHBondContact O-N 2.68Å; R18-T20 VanDerWaalsContact O-N 3.15Å; R18-V21 HydrophobicContact CB-CG2 4.36Å; R18-V21 WeakPolarHBondContact O-CB 3.47Å; R18-V21 PolarHBondContact O-N 3.42Å; R18-E242 HydrophobicContact CG-CG 4.48Å
19F82.1Confident75.4Confident13 Ų1375.2 Ų75.26%0.05738%0.381CS..Hα-helixtrans-62.4-26.2-178.2-164.7-83.6000112.3L17 V21 V22 A23 V91 A94 A234 F238 K241L17-F19 PolarHBondContact O-N 3.3Å; F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 PolarHBondContact O-N 2.81Å; F19-V22 WeakPolarHBondContact O-CB 3.39Å; F19-V22 PolarHBondContact O-N 2.99Å; F19-V22 VanDerWaalsContact O-N 3.12Å; F19-A23 PolarHBondContact O-N 2.66Å; F19-V91 HydrophobicContact CE1-CG2 4.29Å; F19-V91 HydrophobicContact CZ-CB 4.37Å; F19-V91 HydrophobicContact CZ-CG1 4.44Å; F19-V91 HydrophobicContact CZ-CG2 3.82Å; F19-A94 HydrophobicContact CE2-CB 3.47Å; F19-A94 VanDerWaalsContact CE2-CB 3.47Å; F19-A94 HydrophobicContact CZ-CB 3.78Å; F19-A234 HydrophobicContact CE1-CB 4.14Å; F19-F238 HydrophobicContact CB-CB 4.11Å; F19-F238 HydrophobicContact CD1-CB 3.16Å; F19-F238 AromaticContact CD1-CD2 3.93Å; F19-F238 HydrophobicContact CD1-CD2 3.93Å; F19-F238 AromaticContact CD1-CG 3.79Å; F19-F238 HydrophobicContact CD1-CG 3.79Å; F19-F238 HydrophobicContact CD2-CB 4.32Å; F19-F238 HydrophobicContact CE1-CB 3.51Å; F19-F238 AromaticContact CE1-CD2 3.27Å; F19-F238 HydrophobicContact CE1-CD2 3.27Å; F19-F238 HydrophobicContact CE1-CE2 4.13Å; F19-F238 AromaticContact CE1-CG 3.59Å; F19-F238 HydrophobicContact CE1-CG 3.59Å; F19-F238 HydrophobicContact CE2-CD2 4.43Å; F19-F238 HydrophobicContact CE2-CG 4.4Å; F19-F238 HydrophobicContact CG-CB 3.6Å; F19-F238 HydrophobicContact CG-CG 4.25Å; F19-F238 HydrophobicContact CZ-CB 4.21Å; F19-F238 AromaticContact CZ-CD2 3.55Å; F19-F238 HydrophobicContact CZ-CD2 3.55Å; F19-F238 AromaticContact CZ-CE2 4Å; F19-F238 HydrophobicContact CZ-CE2 4Å; F19-F238 AromaticContact CZ-CG 3.9Å; F19-F238 HydrophobicContact CZ-CG 3.9Å; F19-K241 VanDerWaalsContact CB-O 3.25Å; F19-K241 WeakPolarHBondContact CB-O 3.2Å; F19-K241 PolarHBondContact N-O 2.99Å; F19-K241 VanDerWaalsContact N-O 3.13Å
20T80.1Confident77.6Confident22 Ų2268.8 Ų68.814%0.13535%0.347CS..Hα-helixtrans-57.5-36.3172.450.10000113.3R18 A23 L24 W235R18-T20 WeakPolarHBondContact CB-OG1 3.49Å; R18-T20 PolarHBondContact O-N 2.68Å; R18-T20 VanDerWaalsContact O-N 3.15Å; T20-A23 PolarHBondContact O-N 3.44Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 2.92Å; T20-W235 HydrophobicContact CG2-CD2 4.18Å; T20-W235 HydrophobicContact CG2-CE3 4.11Å; T20-W235 HydrophobicContact CG2-CH2 4.08Å; T20-W235 HydrophobicContact CG2-CZ2 4.12Å; T20-W235 HydrophobicContact CG2-CZ3 4.08Å; T20-W235 VanDerWaalsContact O-CZ3 3.31Å; T20-W235 WeakPolarHBondContact O-CZ3 3.43Å
21V81.1Confident79.8Confident68 Ų6860.3 Ų60.341%0.41232%0.319SS..Hα-helixtrans-68.8-41.6175.6179.60000110.5L17 R18 F19 L24 V25L17-V21 HydrophobicContact CD1-CB 4.34Å; L17-V21 HydrophobicContact CD1-CG1 4.24Å; R18-V21 HydrophobicContact CB-CG2 4.36Å; R18-V21 WeakPolarHBondContact O-CB 3.47Å; R18-V21 PolarHBondContact O-N 3.42Å; F19-V21 VanDerWaalsContact C-N 3.27Å; F19-V21 PolarHBondContact O-N 2.81Å; V21-L24 PolarHBondContact O-N 2.94Å; V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.33Å
22V83Confident81.9Confident7 Ų756.9 Ų56.94%0.04230%0.304CS..Hα-helixtrans-60.8-46.4175.2-176.10000110.5L17 F19 L24 V25 T26 P87 V91L17-V22 HydrophobicContact CD2-CG2 3.33Å; L17-V22 HydrophobicContact CG-CG2 4.15Å; F19-V22 WeakPolarHBondContact O-CB 3.39Å; F19-V22 PolarHBondContact O-N 2.99Å; F19-V22 VanDerWaalsContact O-N 3.12Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.08Å; V22-V25 PolarHBondContact O-N 2.89Å; V22-T26 WeakPolarHBondContact O-CB 3.42Å; V22-T26 PolarHBondContact O-N 3.46Å; V22-T26 PolarHBondContact O-OG1 2.97Å; V22-P87 HydrophobicContact CG1-CB 3.99Å; V22-V91 HydrophobicContact CG1-CG2 3.97Å
23A82.5Confident83.7Confident2 Ų255.6 Ų55.62%0.01729%0.29CS..Hα-helixtrans-61.8-40.4177.200000112.1F19 T20 T26 V27 W235F19-A23 PolarHBondContact O-N 2.66Å; T20-A23 PolarHBondContact O-N 3.44Å; A23-T26 WeakPolarHBondContact O-CB 3.25Å; A23-T26 PolarHBondContact O-N 2.66Å; A23-V27 PolarHBondContact O-N 3.28Å; A23-W235 HydrophobicContact CB-CE3 4.42Å
24L86Confident85.5Confident80 Ų8052.5 Ų52.542%0.41927%0.27SS..Hα-helixtrans-64.1-51.1177.5-169.574.6000111.5T20 V21 V22 T26 V27 C28 M232 W235T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 PolarHBondContact O-N 2.92Å; V21-L24 PolarHBondContact O-N 2.94Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.08Å; L24-T26 PolarHBondContact O-N 3.05Å; L24-V27 PolarHBondContact O-N 3.12Å; L24-V27 VanDerWaalsContact O-N 3.13Å; L24-C28 WeakPolarHBondContact CD1-SG 3.43Å; L24-C28 VanDerWaalsContact O-CB 3.3Å; L24-C28 WeakPolarHBondContact O-CB 3.31Å; L24-C28 PolarHBondContact O-N 3.15Å; L24-C28 PolarHBondContact O-SG 3.46Å; L24-M232 HydrophobicContact CD1-CE 4.44Å; L24-W235 HydrophobicContact CB-CZ3 4.47Å
25V84.4Confident86.8Confident49 Ų4950.7 Ų50.730%0.29726%0.261SS..Hα-helixtrans-59.5-39.9178.3174.80000110.9V21 V22 V27 C29 P87V21-V25 WeakPolarHBondContact O-CG2 3.39Å; V21-V25 PolarHBondContact O-N 3.33Å; V22-V25 PolarHBondContact O-N 2.89Å; V25-V27 PolarHBondContact O-N 3.13Å; V25-V27 VanDerWaalsContact O-N 3.1Å; V25-C29 PolarHBondContact O-N 2.91Å; V25-P87 HydrophobicContact CG1-CG 3.89Å
26T84.1Confident88Confident6 Ų650.1 Ų50.14%0.03725%0.253CS..Hα-helixtrans-54.4-29.2178.2-61.90000113.2V22 A23 L24 P30 P87 R88V22-T26 WeakPolarHBondContact O-CB 3.42Å; V22-T26 PolarHBondContact O-N 3.46Å; V22-T26 PolarHBondContact O-OG1 2.97Å; A23-T26 WeakPolarHBondContact O-CB 3.25Å; A23-T26 PolarHBondContact O-N 2.66Å; L24-T26 PolarHBondContact O-N 3.05Å; T26-P30 VanDerWaalsContact O-CG 3.3Å; T26-P30 WeakPolarHBondContact O-CG 3.17Å; T26-P87 WeakPolarHBondContact OG1-CB 3.43Å; T26-R88 HydrophobicContact CG2-CG 3.92Å
27V89.1Confident89Confident14 Ų1442.2 Ų42.29%0.08522%0.223CC..Hα-helixtrans-115.8-40.2-172.2176.50000112.4A23 L24 V25 P30 L31 M228 M232A23-V27 PolarHBondContact O-N 3.28Å; L24-V27 PolarHBondContact O-N 3.12Å; L24-V27 VanDerWaalsContact O-N 3.13Å; V25-V27 PolarHBondContact O-N 3.13Å; V25-V27 VanDerWaalsContact O-N 3.1Å; V27-P30 VanDerWaalsContact O-CD 3.3Å; V27-P30 WeakPolarHBondContact O-CD 3.33Å; V27-P30 WeakPolarHBondContact O-CG 3.38Å; V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 PolarHBondContact O-N 3.42Å; V27-M228 HydrophobicContact CG1-CB 4.29Å; V27-M232 HydrophobicContact CB-SD 3.94Å; V27-M232 HydrophobicContact CG1-CB 4.36Å; V27-M232 HydrophobicContact CG1-SD 4.32Å; V27-M232 HydrophobicContact CG2-CB 3.85Å; V27-M232 HydrophobicContact CG2-CG 4.36Å; V27-M232 HydrophobicContact CG2-SD 3.81Å
28C91.8Very high90.1Very high54 Ų5439.9 Ų39.937%0.36521%0.211SC..Hα-helixtrans-66.6-39.6-177.9-69.90000112.7L24 L31 V32L24-C28 WeakPolarHBondContact CD1-SG 3.43Å; L24-C28 VanDerWaalsContact O-CB 3.3Å; L24-C28 WeakPolarHBondContact O-CB 3.31Å; L24-C28 PolarHBondContact O-N 3.15Å; L24-C28 PolarHBondContact O-SG 3.46Å; C28-L31 PolarHBondContact O-N 2.93Å; C28-V32 WeakPolarHBondContact O-CB 3.28Å; C28-V32 VanDerWaalsContact O-CG2 3.26Å; C28-V32 WeakPolarHBondContact O-CG2 3.5Å; C28-V32 PolarHBondContact O-N 3.33Å
29C93.3Very high90.8Very high27 Ų2736.8 Ų36.818%0.18221%0.206CC..Hα-helixtrans-58.3-57.8176.3-84.50000112.5V25 L31 V32 A33 C80 H84V25-C29 PolarHBondContact O-N 2.91Å; C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 3.09Å; C29-V32 PolarHBondContact O-N 2.98Å; C29-A33 PolarHBondContact O-N 3.1Å; C29-A33 VanDerWaalsContact O-N 3.08Å; C29-C80 HydrophobicContact CB-CB 4.34Å; C29-H84 HydrophobicContact CB-CB 4.09Å
30P94.8Very high91.5Very high8 Ų840.1 Ų40.15%0.05222%0.218CC..Hα-helixtrans-66.1-31.7-179.825.7-34.2000112.5T26 V27 F34 I81 M228T26-P30 VanDerWaalsContact O-CG 3.3Å; T26-P30 WeakPolarHBondContact O-CG 3.17Å; V27-P30 VanDerWaalsContact O-CD 3.3Å; V27-P30 WeakPolarHBondContact O-CD 3.33Å; V27-P30 WeakPolarHBondContact O-CG 3.38Å; P30-F34 WeakPolarHBondContact O-CB 3.31Å; P30-F34 PolarHBondContact O-N 3.44Å; P30-I81 HydrophobicContact CB-CD1 3.94Å; P30-M228 HydrophobicContact CB-CE 3.87Å; P30-M228 HydrophobicContact CB-SD 4.32Å; P30-M228 HydrophobicContact CG-SD 4.46Å
31L96.6Very high92.3Very high58 Ų5839 Ų3930%0.30421%0.212SC..Hα-helixtrans-66.3-45.4176.6-179.662.7000112.4V27 C28 C29 A33 F34 L35 L225 M228V27-L31 WeakPolarHBondContact O-CB 3.4Å; V27-L31 PolarHBondContact O-N 3.42Å; C28-L31 PolarHBondContact O-N 2.93Å; C29-L31 VanDerWaalsContact C-N 3.3Å; C29-L31 PolarHBondContact O-N 3.09Å; L31-A33 VanDerWaalsContact C-N 3.35Å; L31-F34 PolarHBondContact O-N 3.27Å; L31-L35 HydrophobicContact CD1-CD1 4.34Å; L31-L35 HydrophobicContact CD1-CG 4.36Å; L31-L35 HydrophobicContact CG-CD1 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 3.26Å; L31-L225 HydrophobicContact CD1-CD2 3.61Å; L31-M228 HydrophobicContact CB-SD 4.12Å; L31-M228 HydrophobicContact CD1-SD 4.39Å
32V96.4Very high93.1Very high90 Ų9038.3 Ų38.355%0.54521%0.205SC..Hα-helixtrans-63.6-43.9177.1169.80000110.4C28 C29 L35 F36C28-V32 WeakPolarHBondContact O-CB 3.28Å; C28-V32 VanDerWaalsContact O-CG2 3.26Å; C28-V32 WeakPolarHBondContact O-CG2 3.5Å; C28-V32 PolarHBondContact O-N 3.33Å; C29-V32 PolarHBondContact O-N 2.98Å; V32-L35 PolarHBondContact O-N 3.43Å; V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.41Å; V32-F36 PolarHBondContact O-N 3.45Å
33A96.8Very high93.7Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-61.1-45.4175.800000111.9C29 L31 F36 C37 V76 W77 C80C29-A33 PolarHBondContact O-N 3.1Å; C29-A33 VanDerWaalsContact O-N 3.08Å; L31-A33 VanDerWaalsContact C-N 3.35Å; A33-F36 PolarHBondContact O-N 2.82Å; A33-C37 WeakPolarHBondContact O-CB 3.37Å; A33-C37 PolarHBondContact O-N 3.45Å; A33-C37 PolarHBondContact O-SG 3.35Å; A33-V76 HydrophobicContact CB-CG1 4.46Å; A33-W77 HydrophobicContact CB-CE3 3.8Å; A33-W77 HydrophobicContact CB-CZ3 4.28Å; A33-C80 HydrophobicContact CB-CB 3.59Å
34F97.4Very high94.4Very high8 Ų850 Ų504%0.03526%0.261CS..Hα-helixtrans-56.2-53.7176.6175.5-97.5000111.5P30 L31 F36 C37 I38 V63 W77 Y221 V224 L225 M228P30-F34 WeakPolarHBondContact O-CB 3.31Å; P30-F34 PolarHBondContact O-N 3.44Å; L31-F34 PolarHBondContact O-N 3.27Å; F34-F36 VanDerWaalsContact C-N 3.33Å; F34-F36 PolarHBondContact O-N 3.13Å; F34-C37 PolarHBondContact O-N 3.47Å; F34-I38 HydrophobicContact CD2-CG1 4.49Å; F34-I38 HydrophobicContact CE1-CG1 4.28Å; F34-I38 HydrophobicContact CE2-CD1 4.44Å; F34-I38 HydrophobicContact CE2-CG1 4.14Å; F34-I38 HydrophobicContact CZ-CG1 4.01Å; F34-I38 WeakPolarHBondContact O-CG1 3.3Å; F34-I38 PolarHBondContact O-N 3.48Å; F34-V63 HydrophobicContact CE2-CG2 3.81Å; F34-W77 HydrophobicContact CB-CZ3 3.98Å; F34-Y221 AromaticContact CE2-CD1 3.92Å; F34-Y221 HydrophobicContact CE2-CD1 3.92Å; F34-Y221 HydrophobicContact CE2-CE1 4.44Å; F34-Y221 HydrophobicContact CE2-CG 4.36Å; F34-Y221 AromaticContact CZ-CD1 3.67Å; F34-Y221 HydrophobicContact CZ-CD1 3.67Å; F34-Y221 HydrophobicContact CZ-CD2 4.3Å; F34-Y221 HydrophobicContact CZ-CE1 4.3Å; F34-Y221 AromaticContact CZ-CG 3.67Å; F34-Y221 HydrophobicContact CZ-CG 3.67Å; F34-V224 HydrophobicContact CD2-CG1 4.03Å; F34-V224 HydrophobicContact CE2-CB 4.48Å; F34-V224 HydrophobicContact CE2-CG1 4.22Å; F34-L225 HydrophobicContact CD1-CD2 4.13Å; F34-L225 HydrophobicContact CE1-CD1 4.36Å; F34-L225 HydrophobicContact CE1-CD2 4.08Å; F34-L225 HydrophobicContact CE1-CG 4.25Å; F34-M228 HydrophobicContact CB-CE 4.08Å; F34-M228 HydrophobicContact CG-CE 4.5Å
35L97.7Very high94.8Very high86 Ų8647.9 Ų47.945%0.4525%0.249SC..Hα-helixtrans-61.2-43.1179.7-67.7174.5000111.6L31 V32 L39L31-L35 HydrophobicContact CD1-CD1 4.34Å; L31-L35 HydrophobicContact CD1-CG 4.36Å; L31-L35 HydrophobicContact CG-CD1 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 3.26Å; V32-L35 PolarHBondContact O-N 3.43Å; L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.02Å
36F97.6Very high95.3Very high61 Ų6149.4 Ų49.427%0.26825%0.251SS..Hα-helixtrans-59.4-50.6175.9175.8-94.9000111.6V32 A33 F34 I38 L39 W40 P72 V76V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.41Å; V32-F36 PolarHBondContact O-N 3.45Å; A33-F36 PolarHBondContact O-N 2.82Å; F34-F36 VanDerWaalsContact C-N 3.33Å; F34-F36 PolarHBondContact O-N 3.13Å; F36-I38 PolarHBondContact O-N 2.64Å; F36-L39 PolarHBondContact O-N 3.4Å; F36-W40 HydrophobicContact CD2-CE3 4.42Å; F36-W40 HydrophobicContact CE1-CB 4.44Å; F36-W40 HydrophobicContact CE2-CD2 4.17Å; F36-W40 AromaticContact CE2-CE3 3.46Å; F36-W40 HydrophobicContact CE2-CE3 3.46Å; F36-W40 VanDerWaalsContact CE2-CE3 3.46Å; F36-W40 AromaticContact CE2-CZ3 3.98Å; F36-W40 HydrophobicContact CE2-CZ3 3.98Å; F36-W40 HydrophobicContact CZ-CB 4.39Å; F36-W40 AromaticContact CZ-CD2 3.87Å; F36-W40 HydrophobicContact CZ-CD2 3.87Å; F36-W40 AromaticContact CZ-CE3 3.6Å; F36-W40 HydrophobicContact CZ-CE3 3.6Å; F36-W40 HydrophobicContact CZ-CG 4.22Å; F36-W40 HydrophobicContact CZ-CZ3 4.19Å; F36-W40 WeakPolarHBondContact O-CB 3.46Å; F36-W40 PolarHBondContact O-N 3.27Å; F36-P72 HydrophobicContact CE1-CG 4.17Å; F36-P72 HydrophobicContact CZ-CG 3.86Å; F36-V76 HydrophobicContact CD1-CB 3.85Å; F36-V76 HydrophobicContact CD1-CG1 3.68Å; F36-V76 HydrophobicContact CD1-CG2 4Å; F36-V76 HydrophobicContact CE1-CB 3.88Å; F36-V76 HydrophobicContact CE1-CG1 4.15Å; F36-V76 HydrophobicContact CE1-CG2 3.56Å; F36-V76 HydrophobicContact CG-CG1 4.22Å; F36-V76 HydrophobicContact CZ-CG2 4.13Å
37C97.1Very high95.8Very high1 Ų156.9 Ų56.91%0.00728%0.284CS..Hα-helixtrans-60.5-44-178.5-69.90000111.8A33 F34 S41 A66 I67 Q73A33-C37 WeakPolarHBondContact O-CB 3.37Å; A33-C37 PolarHBondContact O-N 3.45Å; A33-C37 PolarHBondContact O-SG 3.35Å; F34-C37 PolarHBondContact O-N 3.47Å; C37-S41 WeakPolarHBondContact O-CB 3.47Å; C37-S41 PolarHBondContact O-N 3.43Å; C37-S41 PolarHBondContact O-OG 2.93Å; C37-A66 HydrophobicContact CB-CB 4.42Å; C37-I67 HydrophobicContact CB-CG2 4.13Å; C37-Q73 HydrophobicContact CB-CB 4.27Å; C37-Q73 HydrophobicContact CB-CG 4.43Å; C37-Q73 PolarHBondContact SG-O 3.05Å
38I97.5Very high96Very high15 Ų1561.3 Ų61.38%0.07730%0.303CS..Hα-helixtrans-66.5-51.9177.9-61.5-44.1000111F34 F36 W40 S41 L42 P61 A66 Y221F34-I38 HydrophobicContact CD2-CG1 4.49Å; F34-I38 HydrophobicContact CE1-CG1 4.28Å; F34-I38 HydrophobicContact CE2-CD1 4.44Å; F34-I38 HydrophobicContact CE2-CG1 4.14Å; F34-I38 HydrophobicContact CZ-CG1 4.01Å; F34-I38 WeakPolarHBondContact O-CG1 3.3Å; F34-I38 PolarHBondContact O-N 3.48Å; F36-I38 PolarHBondContact O-N 2.64Å; I38-W40 PolarHBondContact O-N 3.18Å; I38-S41 PolarHBondContact O-N 3.35Å; I38-L42 HydrophobicContact CG2-CD1 3.99Å; I38-L42 HydrophobicContact CG2-CG 4.47Å; I38-L42 WeakPolarHBondContact O-CG 3.29Å; I38-L42 PolarHBondContact O-N 2.9Å; I38-P61 HydrophobicContact CD1-CG 4.26Å; I38-A66 HydrophobicContact CD1-CB 3.59Å; I38-Y221 HydrophobicContact CD1-CE1 3.64Å; I38-Y221 WeakPolarHBondContact CD1-OH 3.49Å; I38-Y221 HydrophobicContact CG1-CE1 4.2Å; I38-Y221 HydrophobicContact CG2-CE2 4.34Å
39L97.3Very high96Very high104 Ų10458.9 Ų58.955%0.54529%0.287SS..Hα-helixtrans-62.7-43.6-177.1-69.7173.4000111.7L35 F36 S41 L42 L43L35-L39 VanDerWaalsContact O-CB 3.29Å; L35-L39 WeakPolarHBondContact O-CB 3.47Å; L35-L39 WeakPolarHBondContact O-CG 3.36Å; L35-L39 PolarHBondContact O-N 3.02Å; F36-L39 PolarHBondContact O-N 3.4Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.42Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.12Å; L39-L43 PolarHBondContact O-N 3.06Å
40W97.6Very high96.2Very high82 Ų8258 Ų5831%0.31128%0.281SS..Hα-helixtrans-64.3-39.8178.2-163.2-79.5000111.7F36 I38 L43 F44 H45 P72 Q73F36-W40 HydrophobicContact CD2-CE3 4.42Å; F36-W40 HydrophobicContact CE1-CB 4.44Å; F36-W40 HydrophobicContact CE2-CD2 4.17Å; F36-W40 AromaticContact CE2-CE3 3.46Å; F36-W40 HydrophobicContact CE2-CE3 3.46Å; F36-W40 VanDerWaalsContact CE2-CE3 3.46Å; F36-W40 AromaticContact CE2-CZ3 3.98Å; F36-W40 HydrophobicContact CE2-CZ3 3.98Å; F36-W40 HydrophobicContact CZ-CB 4.39Å; F36-W40 AromaticContact CZ-CD2 3.87Å; F36-W40 HydrophobicContact CZ-CD2 3.87Å; F36-W40 AromaticContact CZ-CE3 3.6Å; F36-W40 HydrophobicContact CZ-CE3 3.6Å; F36-W40 HydrophobicContact CZ-CG 4.22Å; F36-W40 HydrophobicContact CZ-CZ3 4.19Å; F36-W40 WeakPolarHBondContact O-CB 3.46Å; F36-W40 PolarHBondContact O-N 3.27Å; I38-W40 PolarHBondContact O-N 3.18Å; W40-L43 PolarHBondContact O-N 3.38Å; W40-F44 AromaticContact CD1-CD2 3.93Å; W40-F44 AromaticContact CD2-CD2 3.61Å; W40-F44 HydrophobicContact CD2-CD2 3.61Å; W40-F44 AromaticContact CD2-CE2 3.97Å; W40-F44 HydrophobicContact CD2-CE2 3.97Å; W40-F44 AromaticContact CE2-CD2 3.48Å; W40-F44 VanDerWaalsContact CE2-CD2 3.48Å; W40-F44 AromaticContact CE2-CE2 3.96Å; W40-F44 HydrophobicContact CE3-CD2 4.09Å; W40-F44 AromaticContact CE3-CE2 3.96Å; W40-F44 HydrophobicContact CE3-CE2 3.96Å; W40-F44 AromaticContact CG-CD2 3.93Å; W40-F44 HydrophobicContact CG-CD2 3.93Å; W40-F44 HydrophobicContact CH2-CD2 4.36Å; W40-F44 HydrophobicContact CH2-CE2 4.02Å; W40-F44 AromaticContact CZ2-CD2 3.89Å; W40-F44 HydrophobicContact CZ2-CD2 3.89Å; W40-F44 HydrophobicContact CZ2-CE2 4.01Å; W40-F44 HydrophobicContact CZ2-CG 4.47Å; W40-F44 HydrophobicContact CZ3-CD2 4.44Å; W40-F44 AromaticContact CZ3-CE2 3.99Å; W40-F44 HydrophobicContact CZ3-CE2 3.99Å; W40-F44 AromaticContact NE1-CD2 3.65Å; W40-F44 PolarHBondContact O-N 3.31Å; W40-H45 AromaticContact CD1-CE1 3.9Å; W40-H45 AromaticContact CD1-ND1 3.61Å; W40-H45 AromaticContact NE1-CE1 3.67Å; W40-H45 AromaticContact NE1-ND1 3.83Å; W40-P72 HydrophobicContact CD2-CG 4.3Å; W40-P72 HydrophobicContact CZ2-CG 4.05Å; W40-Q73 HydrophobicContact CB-CG 3.97Å; W40-Q73 HydrophobicContact CG-CG 4.19Å
41S96.6Very high96.1Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-62.5-42.4175.5-61.90000111.6C37 I38 L39 L43 H45 F46 Q73C37-S41 WeakPolarHBondContact O-CB 3.47Å; C37-S41 PolarHBondContact O-N 3.43Å; C37-S41 PolarHBondContact O-OG 2.93Å; I38-S41 PolarHBondContact O-N 3.35Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 3.42Å; S41-L43 PolarHBondContact O-N 3.26Å; S41-H45 CarbonylContact O-C 2.97Å; S41-H45 WeakPolarHBondContact O-CA 3.39Å; S41-H45 PolarHBondContact O-N 3.4Å; S41-F46 VanDerWaalsContact O-CA 3.27Å; S41-F46 WeakPolarHBondContact O-CA 3.45Å; S41-F46 PolarHBondContact O-N 3.07Å; S41-Q73 PolarHBondContact OG-NE2 3.03Å
42L96.9Very high96Very high53 Ų5359.4 Ų59.428%0.27730%0.298SS..Hα-helixtrans-68-33.5177.9-68.1173.9000113.8I38 L39 F46 Y59 L60I38-L42 HydrophobicContact CG2-CD1 3.99Å; I38-L42 HydrophobicContact CG2-CG 4.47Å; I38-L42 WeakPolarHBondContact O-CG 3.29Å; I38-L42 PolarHBondContact O-N 2.9Å; L39-L42 PolarHBondContact O-N 3.45Å; L42-F46 HydrophobicContact CD2-CD2 3.91Å; L42-F46 HydrophobicContact CD2-CE2 4.06Å; L42-Y59 WeakPolarHBondContact CD2-O 3.38Å; L42-L60 HydrophobicContact CD1-CD2 4.09Å; L42-L60 HydrophobicContact CD2-CD2 4.2Å
43L96.6Very high95.8Very high130 Ų13062 Ų6268%0.68130%0.304SS*.Hα-helixtrans-84.6-39.6-177.3-68.8174.4000113.1L39 W40 S41L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.12Å; L39-L43 PolarHBondContact O-N 3.06Å; W40-L43 PolarHBondContact O-N 3.38Å; S41-L43 PolarHBondContact O-N 3.26Å
44F96.5Very high95.7Very high123 Ų12363.1 Ų63.154%0.53931%0.312SS..Hα-helixtrans-120.5-23.7-167-60.4-72.8000114.4W40W40-F44 AromaticContact CD1-CD2 3.93Å; W40-F44 AromaticContact CD2-CD2 3.61Å; W40-F44 HydrophobicContact CD2-CD2 3.61Å; W40-F44 AromaticContact CD2-CE2 3.97Å; W40-F44 HydrophobicContact CD2-CE2 3.97Å; W40-F44 AromaticContact CE2-CD2 3.48Å; W40-F44 VanDerWaalsContact CE2-CD2 3.48Å; W40-F44 AromaticContact CE2-CE2 3.96Å; W40-F44 HydrophobicContact CE3-CD2 4.09Å; W40-F44 AromaticContact CE3-CE2 3.96Å; W40-F44 HydrophobicContact CE3-CE2 3.96Å; W40-F44 AromaticContact CG-CD2 3.93Å; W40-F44 HydrophobicContact CG-CD2 3.93Å; W40-F44 HydrophobicContact CH2-CD2 4.36Å; W40-F44 HydrophobicContact CH2-CE2 4.02Å; W40-F44 AromaticContact CZ2-CD2 3.89Å; W40-F44 HydrophobicContact CZ2-CD2 3.89Å; W40-F44 HydrophobicContact CZ2-CE2 4.01Å; W40-F44 HydrophobicContact CZ2-CG 4.47Å; W40-F44 HydrophobicContact CZ3-CD2 4.44Å; W40-F44 AromaticContact CZ3-CE2 3.99Å; W40-F44 HydrophobicContact CZ3-CE2 3.99Å; W40-F44 AromaticContact NE1-CD2 3.65Å; W40-F44 PolarHBondContact O-N 3.31Å
45H94.6Very high95.5Very high36 Ų3666.2 Ų66.217%0.16735%0.346CS..SBendtrans-130.937.5-175.9-57.8108.5000112.1W40 S41 K47 E48 T49 E70 V71 Q73W40-H45 AromaticContact CD1-CE1 3.9Å; W40-H45 AromaticContact CD1-ND1 3.61Å; W40-H45 AromaticContact NE1-CE1 3.67Å; W40-H45 AromaticContact NE1-ND1 3.83Å; S41-H45 CarbonylContact O-C 2.97Å; S41-H45 WeakPolarHBondContact O-CA 3.39Å; S41-H45 PolarHBondContact O-N 3.4Å; H45-K47 PolarHBondContact O-N 3.47Å; H45-E48 VanDerWaalsContact C-OE2 3.29Å; H45-E48 WeakPolarHBondContact CA-OE2 3.47Å; H45-T49 HydrophobicContact CB-CG2 3.95Å; H45-T49 WeakPolarHBondContact O-CB 3.09Å; H45-T49 VanDerWaalsContact O-CG2 3.29Å; H45-T49 WeakPolarHBondContact O-CG2 3.45Å; H45-T49 PolarHBondContact O-N 2.65Å; H45-T49 PolarHBondContact O-OG1 3.21Å; H45-E70 HydrophobicContact CB-CB 4.47Å; H45-E70 HydrophobicContact CB-CG 3.99Å; H45-E70 IonicContact CD2-OE2 3.81Å; H45-V71 PolarHBondContact CE1-O 3.33Å; H45-V71 VanDerWaalsContact CE1-O 3.29Å; H45-Q73 PolarHBondContact ND1-NE2 3.46Å
46F95.5Very high95.4Very high81 Ų8163.8 Ų63.836%0.35534%0.335SS..Hα-helixtrans-62.1-46.1-168.8178.2-94.3000111.6S41 L42 T50 N58S41-F46 VanDerWaalsContact O-CA 3.27Å; S41-F46 WeakPolarHBondContact O-CA 3.45Å; S41-F46 PolarHBondContact O-N 3.07Å; L42-F46 HydrophobicContact CD2-CD2 3.91Å; L42-F46 HydrophobicContact CD2-CE2 4.06Å; F46-T50 HydrophobicContact CD2-CG2 4.14Å; F46-T50 HydrophobicContact CE2-CG2 3.95Å; F46-T50 HydrophobicContact CZ-CG2 4.21Å; F46-T50 WeakPolarHBondContact O-CB 3.42Å; F46-T50 VanDerWaalsContact O-CG2 3.3Å; F46-T50 WeakPolarHBondContact O-CG2 3.17Å; F46-T50 PolarHBondContact O-N 3Å; F46-T50 VanDerWaalsContact O-N 3.1Å; F46-T50 PolarHBondContact O-OG1 3.11Å; F46-N58 WeakPolarHBondContact CZ-O 3.35Å
47K93.4Very high95.4Very high164 Ų16464.6 Ų64.671%0.71335%0.346SS*.Hα-helixtrans-67.5-43.8-175.2-69.9-177.3179.7178.30111.2H45 A51H45-K47 PolarHBondContact O-N 3.47Å; K47-A51 VanDerWaalsContact O-CB 3.24Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.97Å; K47-A51 VanDerWaalsContact O-N 3.11Å
48E93.2Very high95.4Very high107 Ų10764.8 Ų64.850%0.535%0.347SS..Hα-helixtrans-68.2-42.4-176.1-62.269.9-153.200110.5H45H45-E48 VanDerWaalsContact C-OE2 3.29Å; H45-E48 WeakPolarHBondContact CA-OE2 3.47Å
49T93.4Very high95.4Very high2 Ų271 Ų711%0.01237%0.371CS..Hα-helixtrans-84.9-19.3-174.261.10000114.1H45 P61 S65 E70H45-T49 HydrophobicContact CB-CG2 3.95Å; H45-T49 WeakPolarHBondContact O-CB 3.09Å; H45-T49 VanDerWaalsContact O-CG2 3.29Å; H45-T49 WeakPolarHBondContact O-CG2 3.45Å; H45-T49 PolarHBondContact O-N 2.65Å; H45-T49 PolarHBondContact O-OG1 3.21Å; T49-P61 WeakPolarHBondContact O-CA 3.3Å; T49-P61 VanDerWaalsContact O-CB 3.29Å; T49-P61 WeakPolarHBondContact O-CB 3.15Å; T49-S65 WeakPolarHBondContact O-CB 3.37Å; T49-S65 PolarHBondContact O-OG 2.98Å; T49-E70 HydrophobicContact CG2-CG 4.28Å
50T95.8Very high95.4Very high10 Ų1067.9 Ų67.96%0.06135%0.354CS..Hα-helixtrans-99.3-6.6174.663.30000113.5F46 N58F46-T50 HydrophobicContact CD2-CG2 4.14Å; F46-T50 HydrophobicContact CE2-CG2 3.95Å; F46-T50 HydrophobicContact CZ-CG2 4.21Å; F46-T50 WeakPolarHBondContact O-CB 3.42Å; F46-T50 VanDerWaalsContact O-CG2 3.3Å; F46-T50 WeakPolarHBondContact O-CG2 3.17Å; F46-T50 PolarHBondContact O-N 3Å; F46-T50 VanDerWaalsContact O-N 3.1Å; F46-T50 PolarHBondContact O-OG1 3.11Å; T50-N58 PolarHBondContact O-ND2 3.1Å
51A93.6Very high95.3Very high69 Ų6964 Ų6457%0.5734%0.339SS*.  trans-64.1137.4177.300000111.5K47K47-A51 VanDerWaalsContact O-CB 3.24Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.97Å; K47-A51 VanDerWaalsContact O-N 3.11Å
52T94.1Very high95.3Very high25 Ų2564.2 Ų64.215%0.15334%0.341CS..  trans-131.1162.4170.766.70000109C54 G55 H204 Y213T52-C54 PolarHBondContact O-N 2.91Å; T52-G55 PolarHBondContact O-N 2.99Å; T52-H204 PolarHBondContact OG1-NE2 3.34Å; T52-H204 VanDerWaalsContact OG1-NE2 3.17Å; T52-Y213 HydrophobicContact CG2-CD1 3.6Å; T52-Y213 HydrophobicContact CG2-CD2 3.81Å; T52-Y213 HydrophobicContact CG2-CE1 3.83Å; T52-Y213 HydrophobicContact CG2-CE2 4.03Å; T52-Y213 HydrophobicContact CG2-CG 3.59Å
53H92.6Very high95.2Very high144 Ų14462.1 Ų62.167%0.66733%0.331SS*.THydrogen-bonded Turntrans-56.4-25.1177.871.1-83.4000113.5G55 N205H53-G55 VanDerWaalsContact C-N 3.29Å; H53-G55 PolarHBondContact O-N 3.46Å; H53-N205 PolarHBondContact CE1-OD1 3.33Å
54C94.6Very high95Very high25 Ų2557.1 Ų57.117%0.16931%0.306CS..THydrogen-bonded Turntrans-70.7-18.2178-70.20000114.2T52 V56 C208T52-C54 PolarHBondContact O-N 2.91Å; C54-V56 HydrophobicContact CB-CG1 4.43Å; C54-V56 HydrophobicContact CB-CG2 3.95Å; C54-V56 PolarHBondContact O-N 2.99Å; C54-V56 VanDerWaalsContact O-N 3.09Å; C54-C208 HydrophobicContact CB-CB 3.49Å; C54-C208 VanDerWaalsContact CB-CB 3.49Å; C54-C208 WeakPolarHBondContact CB-SG 3.45Å; C54-C208 WeakPolarHBondContact SG-CA 3.47Å; C54-C208 WeakPolarHBondContact SG-CB 3.3Å; C54-C208 CovalentContact SG-SG 2.04Å; C54-C208 PolarHBondContact SG-SG 3.02Å
55G93.8Very high94.9Very high72 Ų7252.6 Ų52.674%0.74229%0.29SS*.  trans63.912.7-177.800000115.3T52 H53T52-G55 PolarHBondContact O-N 2.99Å; H53-G55 VanDerWaalsContact C-N 3.29Å; H53-G55 PolarHBondContact O-N 3.46Å
56V96.3Very high94.8Very high36 Ų3650.9 Ų50.922%0.21828%0.282CS..  trans-89.7152.9179-62.20000112.5C54 N58 C208 A210C54-V56 HydrophobicContact CB-CG1 4.43Å; C54-V56 HydrophobicContact CB-CG2 3.95Å; C54-V56 PolarHBondContact O-N 2.99Å; C54-V56 VanDerWaalsContact O-N 3.09Å; V56-N58 PolarHBondContact O-N 2.95Å; V56-N58 PolarHBondContact O-ND2 3.32Å; V56-C208 WeakPolarHBondContact CG1-O 3.35Å; V56-A210 HydrophobicContact CB-CB 4.36Å
57P96Very high94.7Very high77 Ų7747.6 Ų47.650%0.527%0.268SS..  trans-60.1132.9-179.6-2433.8000113.2G211P57-G211 PolarHBondContact O-N 3.21Å
58N97.2Very high94.1Very high6 Ų640 Ų403%0.03224%0.236CC..  trans-136.5155.5171.2-64-58.4000109.7F46 T50 V56 Y213F46-N58 WeakPolarHBondContact CZ-O 3.35Å; T50-N58 PolarHBondContact O-ND2 3.1Å; V56-N58 PolarHBondContact O-N 2.95Å; V56-N58 PolarHBondContact O-ND2 3.32Å; N58-Y213 VanDerWaalsContact OD1-CB 3.28Å; N58-Y213 WeakPolarHBondContact OD1-CB 3.26Å
59Y97.1Very high93.3Very high146 Ų14636.4 Ų36.457%0.57323%0.228SC*.SBendtrans-120.5-13-168.4-51.1-79.1000113.9L42 T214L42-Y59 WeakPolarHBondContact CD2-O 3.38Å; Y59-T214 HydrophobicContact CD2-CG2 4.35Å; Y59-T214 PolarHBondContact N-OG1 3.46Å
60L97.5Very high93.1Very high38 Ų3839.3 Ų39.320%0.19924%0.241CC..SBendtrans-132.7137.3176.3-67171.9000109.7L42 T214 A217 I218 Y221L42-L60 HydrophobicContact CD1-CD2 4.09Å; L42-L60 HydrophobicContact CD2-CD2 4.2Å; L60-T214 HydrophobicContact CB-CG2 3.92Å; L60-T214 HydrophobicContact CD1-CG2 3.82Å; L60-T214 HydrophobicContact CG-CG2 3.82Å; L60-A217 HydrophobicContact CB-CB 3.94Å; L60-I218 HydrophobicContact CD1-CD1 3.89Å; L60-I218 HydrophobicContact CD1-CG1 3.45Å; L60-I218 VanDerWaalsContact CD1-CG1 3.45Å; L60-Y221 HydrophobicContact CD1-CE2 4.24Å; L60-Y221 HydrophobicContact CD2-CE2 4.47Å
61P96.4Very high92.9Very high0 Ų042.1 Ų42.10%026%0.258CS..  trans-73.1155.417432-36.4000110.8I38 T49 S65 A66 A217 Y221I38-P61 HydrophobicContact CD1-CG 4.26Å; T49-P61 WeakPolarHBondContact O-CA 3.3Å; T49-P61 VanDerWaalsContact O-CB 3.29Å; T49-P61 WeakPolarHBondContact O-CB 3.15Å; P61-S65 WeakPolarHBondContact CB-OG 3.46Å; P61-A66 HydrophobicContact CB-CB 4.31Å; P61-A66 HydrophobicContact CG-CB 4.24Å; P61-A217 VanDerWaalsContact O-CB 3.22Å; P61-A217 WeakPolarHBondContact O-CB 3.45Å; P61-Y221 WeakPolarHBondContact CD-OH 3.3Å; P61-Y221 WeakPolarHBondContact O-CE1 3.45Å; P61-Y221 PolarHBondContact O-OH 3.48Å
62S95.6Very high93Very high5 Ų541 Ų414%0.03525%0.245CC..  trans-72.7162.5164.3560000109.9S64 S65 A66 Y213 E220S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3.26Å; S62-S65 PolarHBondContact N-OG 3.3Å; S62-S65 VanDerWaalsContact N-OG 3.13Å; S62-S65 PolarHBondContact O-N 3.5Å; S62-S65 PolarHBondContact O-OG 2.87Å; S62-S65 VanDerWaalsContact O-OG 3.06Å; S62-S65 WeakPolarHBondContact OG-CB 3.23Å; S62-S65 PolarHBondContact OG-N 3.49Å; S62-S65 PolarHBondContact OG-OG 3.47Å; S62-A66 WeakPolarHBondContact O-CB 3.41Å; S62-A66 PolarHBondContact O-N 3.28Å; S62-Y213 WeakPolarHBondContact CB-OH 3.35Å; S62-Y213 PolarHBondContact OG-OH 2.98Å; S62-E220 VanDerWaalsContact CA-OE2 3.3Å; S62-E220 WeakPolarHBondContact CA-OE2 3.3Å; S62-E220 WeakPolarHBondContact CB-OE2 3.38Å
63V95.1Very high93Very high9 Ų939.8 Ų39.86%0.05524%0.237CC..Hα-helixtrans-61.8-46.5176.8-178.30000109.6F34 S65 A66 I67 E220 Y221 V224F34-V63 HydrophobicContact CE2-CG2 3.81Å; V63-S65 VanDerWaalsContact C-N 3.32Å; V63-S65 PolarHBondContact O-N 3.43Å; V63-A66 PolarHBondContact O-N 3.35Å; V63-I67 HydrophobicContact CG1-CD1 4.26Å; V63-I67 HydrophobicContact CG1-CG2 4.22Å; V63-I67 VanDerWaalsContact O-CG1 3.28Å; V63-I67 WeakPolarHBondContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG2 3.29Å; V63-I67 PolarHBondContact O-N 3.43Å; V63-E220 HydrophobicContact CB-CG 4.24Å; V63-E220 HydrophobicContact CG2-CB 4.45Å; V63-E220 HydrophobicContact CG2-CG 3.77Å; V63-E220 PolarHBondContact N-OE2 3.1Å; V63-Y221 HydrophobicContact CG2-CD1 3.57Å; V63-Y221 HydrophobicContact CG2-CE1 3.81Å; V63-V224 HydrophobicContact CG2-CG2 4.23Å
64S93.1Very high93.1Very high24 Ų2435.2 Ų35.217%0.16821%0.214CC..Hα-helixtrans-58.5-39.2177.3-67.90000113S62 G68 H142S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3.26Å; S64-G68 PolarHBondContact O-N 3.45Å; S64-G68 VanDerWaalsContact O-N 3.12Å; S64-H142 PolarHBondContact OG-NE2 2.94Å; S64-H142 VanDerWaalsContact OG-NE2 3.1Å
65S93.1Very high93.1Very high29 Ų2940.6 Ų40.620%0.20323%0.232CC..Hα-helixtrans-71.2-38.3176.771.60000112.3T49 P61 S62 V63 I67T49-S65 WeakPolarHBondContact O-CB 3.37Å; T49-S65 PolarHBondContact O-OG 2.98Å; P61-S65 WeakPolarHBondContact CB-OG 3.46Å; S62-S65 PolarHBondContact N-OG 3.3Å; S62-S65 VanDerWaalsContact N-OG 3.13Å; S62-S65 PolarHBondContact O-N 3.5Å; S62-S65 PolarHBondContact O-OG 2.87Å; S62-S65 VanDerWaalsContact O-OG 3.06Å; S62-S65 WeakPolarHBondContact OG-CB 3.23Å; S62-S65 PolarHBondContact OG-N 3.49Å; S62-S65 PolarHBondContact OG-OG 3.47Å; V63-S65 VanDerWaalsContact C-N 3.32Å; V63-S65 PolarHBondContact O-N 3.43Å; S65-I67 PolarHBondContact O-N 3.19Å
66A94.4Very high93.3Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-70-28.2-179.900000114.1C37 I38 P61 S62 V63 Q73C37-A66 HydrophobicContact CB-CB 4.42Å; I38-A66 HydrophobicContact CD1-CB 3.59Å; P61-A66 HydrophobicContact CB-CB 4.31Å; P61-A66 HydrophobicContact CG-CB 4.24Å; S62-A66 WeakPolarHBondContact O-CB 3.41Å; S62-A66 PolarHBondContact O-N 3.28Å; V63-A66 PolarHBondContact O-N 3.35Å; A66-Q73 WeakPolarHBondContact O-CB 3.33Å
67I92.2Very high93.3Very high12 Ų1238.1 Ų38.16%0.06220%0.201CC..Hα-helixtrans-100.9-24-176.872.1-178.1000114C37 V63 S65 R74 W77C37-I67 HydrophobicContact CB-CG2 4.13Å; V63-I67 HydrophobicContact CG1-CD1 4.26Å; V63-I67 HydrophobicContact CG1-CG2 4.22Å; V63-I67 VanDerWaalsContact O-CG1 3.28Å; V63-I67 WeakPolarHBondContact O-CG1 3.3Å; V63-I67 WeakPolarHBondContact O-CG2 3.29Å; V63-I67 PolarHBondContact O-N 3.43Å; S65-I67 PolarHBondContact O-N 3.19Å; I67-R74 WeakPolarHBondContact O-CA 3.16Å; I67-R74 WeakPolarHBondContact O-CB 3.23Å; I67-W77 HydrophobicContact CB-CB 4.21Å; I67-W77 HydrophobicContact CB-CD2 4.02Å; I67-W77 HydrophobicContact CB-CG 3.78Å; I67-W77 HydrophobicContact CD1-CD2 4.38Å; I67-W77 HydrophobicContact CD1-CZ2 4.14Å; I67-W77 HydrophobicContact CG2-CB 4.32Å; I67-W77 HydrophobicContact CG2-CD2 3.54Å; I67-W77 HydrophobicContact CG2-CE3 3.68Å; I67-W77 HydrophobicContact CG2-CG 3.82Å; I67-W77 HydrophobicContact CG2-CZ2 4.46Å; I67-W77 HydrophobicContact CG2-CZ3 4.22Å
68G80.1Confident93.3Very high4 Ų436.6 Ų36.64%0.04119%0.185CC..Hα-helixtrans-98.7-38.1-168.400000115.3S64 R74 S134S64-G68 PolarHBondContact O-N 3.45Å; S64-G68 VanDerWaalsContact O-N 3.12Å; G68-R74 WeakPolarHBondContact O-CD 3.32Å; G68-R74 PolarHBondContact O-NH1 3.4Å; G68-S134 VanDerWaalsContact CA-OG 3.29Å; G68-S134 WeakPolarHBondContact CA-OG 3.22Å; G68-S134 PolarHBondContact O-OG 3.01Å
69G78.3Confident93.2Very high31 Ų3143.1 Ų43.132%0.3221%0.214SC..THydrogen-bonded Turntrans-79-59.5-169.500000113.2R74G69-R74 PolarHBondContact O-NH1 3.43Å
70E88.4Confident93.2Very high64 Ų6436.9 Ų36.930%0.29919%0.192SC..SBendtrans-103.6155.5-160.8-57.5-54.7145.200114.4H45 T49 Q73 R74H45-E70 HydrophobicContact CB-CB 4.47Å; H45-E70 HydrophobicContact CB-CG 3.99Å; H45-E70 IonicContact CD2-OE2 3.81Å; T49-E70 HydrophobicContact CG2-CG 4.28Å; E70-Q73 PolarHBondContact O-N 3.46Å; E70-R74 WeakPolarHBondContact O-CB 3.23Å; E70-R74 PolarHBondContact O-N 3.41Å
71V92.2Very high93.1Very high68 Ų6835.2 Ų35.241%0.41218%0.183SC..THydrogen-bonded Turntrans-103.6141172.3-64.30000109.5H45 Q73 Y75H45-V71 PolarHBondContact CE1-O 3.33Å; H45-V71 VanDerWaalsContact CE1-O 3.29Å; V71-Q73 PolarHBondContact O-OE1 2.84Å; V71-Y75 HydrophobicContact CB-CD2 4.43Å; V71-Y75 HydrophobicContact CB-CE2 4.26Å; V71-Y75 HydrophobicContact CG1-CD2 3.95Å; V71-Y75 HydrophobicContact CG1-CE2 3.49Å; V71-Y75 VanDerWaalsContact CG1-CE2 3.49Å
72P94.9Very high93.1Very high45 Ų4536.2 Ų36.229%0.29219%0.193SC..THydrogen-bonded Turncis-87.1-3.210.636-37.6000115.8F36 W40 R74 Y75 V76F36-P72 HydrophobicContact CE1-CG 4.17Å; F36-P72 HydrophobicContact CZ-CG 3.86Å; W40-P72 HydrophobicContact CD2-CG 4.3Å; W40-P72 HydrophobicContact CZ2-CG 4.05Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 2.94Å; P72-Y75 PolarHBondContact O-N 3.29Å; P72-V76 PolarHBondContact O-N 3.48Å; P72-V76 VanDerWaalsContact O-N 3.16Å
73Q95.2Very high93Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-52.1-47.2-171.7-60.596.4-6000112.6C37 W40 S41 H45 A66 E70 V71 Y75 V76 W77C37-Q73 HydrophobicContact CB-CB 4.27Å; C37-Q73 HydrophobicContact CB-CG 4.43Å; C37-Q73 PolarHBondContact SG-O 3.05Å; W40-Q73 HydrophobicContact CB-CG 3.97Å; W40-Q73 HydrophobicContact CG-CG 4.19Å; S41-Q73 PolarHBondContact OG-NE2 3.03Å; H45-Q73 PolarHBondContact ND1-NE2 3.46Å; A66-Q73 WeakPolarHBondContact O-CB 3.33Å; E70-Q73 PolarHBondContact O-N 3.46Å; V71-Q73 PolarHBondContact O-OE1 2.84Å; Q73-Y75 VanDerWaalsContact C-N 3.31Å; Q73-Y75 PolarHBondContact O-N 3.36Å; Q73-V76 PolarHBondContact O-N 3.42Å; Q73-W77 WeakPolarHBondContact O-CB 3.05Å; Q73-W77 PolarHBondContact O-N 3.08Å
74R93.8Very high92.9Very high48 Ų4840.1 Ų40.118%0.18121%0.213CC..Hα-helixtrans-56.2-42179.2-179.4171.863.7-150.51.6113.7I67 G68 G69 E70 P72 R78I67-R74 WeakPolarHBondContact O-CA 3.16Å; I67-R74 WeakPolarHBondContact O-CB 3.23Å; G68-R74 WeakPolarHBondContact O-CD 3.32Å; G68-R74 PolarHBondContact O-NH1 3.4Å; G69-R74 PolarHBondContact O-NH1 3.43Å; E70-R74 WeakPolarHBondContact O-CB 3.23Å; E70-R74 PolarHBondContact O-N 3.41Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 2.94Å; R74-R78 WeakPolarHBondContact O-CB 3.45Å; R74-R78 VanDerWaalsContact O-CG 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.31Å; R74-R78 PolarHBondContact O-N 3.2Å
75Y95.1Very high92.9Very high139 Ų13940.1 Ų40.155%0.54521%0.213SC..Hα-helixtrans-74.3-40.4-178.3-64.2-52.2000112V71 P72 Q73 W77 R78 F79V71-Y75 HydrophobicContact CB-CD2 4.43Å; V71-Y75 HydrophobicContact CB-CE2 4.26Å; V71-Y75 HydrophobicContact CG1-CD2 3.95Å; V71-Y75 HydrophobicContact CG1-CE2 3.49Å; V71-Y75 VanDerWaalsContact CG1-CE2 3.49Å; P72-Y75 PolarHBondContact O-N 3.29Å; Q73-Y75 VanDerWaalsContact C-N 3.31Å; Q73-Y75 PolarHBondContact O-N 3.36Å; Y75-W77 VanDerWaalsContact C-N 3.34Å; Y75-R78 PolarHBondContact O-N 3.37Å; Y75-F79 VanDerWaalsContact O-CB 3.28Å; Y75-F79 WeakPolarHBondContact O-CB 3.49Å; Y75-F79 PolarHBondContact O-N 3.04Å
76V96.6Very high92.9Very high44 Ų4441.5 Ų41.527%0.26723%0.226SC..Hα-helixtrans-61.6-45.5175.3175.40000110.3A33 F36 P72 Q73 F79 C80A33-V76 HydrophobicContact CB-CG1 4.46Å; F36-V76 HydrophobicContact CD1-CB 3.85Å; F36-V76 HydrophobicContact CD1-CG1 3.68Å; F36-V76 HydrophobicContact CD1-CG2 4Å; F36-V76 HydrophobicContact CE1-CB 3.88Å; F36-V76 HydrophobicContact CE1-CG1 4.15Å; F36-V76 HydrophobicContact CE1-CG2 3.56Å; F36-V76 HydrophobicContact CG-CG1 4.22Å; F36-V76 HydrophobicContact CZ-CG2 4.13Å; P72-V76 PolarHBondContact O-N 3.48Å; P72-V76 VanDerWaalsContact O-N 3.16Å; Q73-V76 PolarHBondContact O-N 3.42Å; V76-F79 PolarHBondContact O-N 3.03Å; V76-C80 WeakPolarHBondContact O-CB 3.09Å; V76-C80 PolarHBondContact O-N 3.21Å; V76-C80 PolarHBondContact O-SG 2.9Å
77W96.5Very high92.8Very high12 Ų1242.4 Ų42.45%0.04523%0.232CC..Hα-helixtrans-59.1-56.3175.6-175.5-100.1000111.8A33 F34 I67 Q73 Y75 F79 C80 I81 T131A33-W77 HydrophobicContact CB-CE3 3.8Å; A33-W77 HydrophobicContact CB-CZ3 4.28Å; F34-W77 HydrophobicContact CB-CZ3 3.98Å; I67-W77 HydrophobicContact CB-CB 4.21Å; I67-W77 HydrophobicContact CB-CD2 4.02Å; I67-W77 HydrophobicContact CB-CG 3.78Å; I67-W77 HydrophobicContact CD1-CD2 4.38Å; I67-W77 HydrophobicContact CD1-CZ2 4.14Å; I67-W77 HydrophobicContact CG2-CB 4.32Å; I67-W77 HydrophobicContact CG2-CD2 3.54Å; I67-W77 HydrophobicContact CG2-CE3 3.68Å; I67-W77 HydrophobicContact CG2-CG 3.82Å; I67-W77 HydrophobicContact CG2-CZ2 4.46Å; I67-W77 HydrophobicContact CG2-CZ3 4.22Å; Q73-W77 WeakPolarHBondContact O-CB 3.05Å; Q73-W77 PolarHBondContact O-N 3.08Å; Y75-W77 VanDerWaalsContact C-N 3.34Å; W77-F79 VanDerWaalsContact C-N 3.3Å; W77-F79 PolarHBondContact O-N 3.23Å; W77-C80 PolarHBondContact O-N 3.13Å; W77-I81 HydrophobicContact CD2-CD1 4.31Å; W77-I81 HydrophobicContact CD2-CG1 3.94Å; W77-I81 HydrophobicContact CG-CG1 4.19Å; W77-I81 HydrophobicContact CH2-CD1 4.04Å; W77-I81 HydrophobicContact CZ2-CD1 3.68Å; W77-I81 HydrophobicContact CZ2-CG1 3.93Å; W77-I81 HydrophobicContact CZ3-CD1 4.48Å; W77-I81 WeakPolarHBondContact O-CB 3.4Å; W77-I81 VanDerWaalsContact O-CG1 3.3Å; W77-I81 WeakPolarHBondContact O-CG1 3.43Å; W77-I81 PolarHBondContact O-N 3.04Å; W77-T131 VanDerWaalsContact CD1-CG2 3.42Å; W77-T131 PolarHBondContact NE1-OG1 3.39Å; W77-T131 VanDerWaalsContact NE1-OG1 3.16Å
78R96.1Very high92.9Very high44 Ų4442.1 Ų42.117%0.16623%0.23CC..Hα-helixtrans-56.3-42-179.9-75.6177.4175.1176.30.6112.5R74 Y75 G82 T131 Y132 E137R74-R78 WeakPolarHBondContact O-CB 3.45Å; R74-R78 VanDerWaalsContact O-CG 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.31Å; R74-R78 PolarHBondContact O-N 3.2Å; Y75-R78 PolarHBondContact O-N 3.37Å; R78-G82 PolarHBondContact O-N 3.45Å; R78-T131 HydrophobicContact CB-CG2 4.3Å; R78-T131 HydrophobicContact CG-CG2 3.8Å; R78-T131 PolarHBondContact NE-O 3.46Å; R78-Y132 HydrophobicContact CB-CE1 4.26Å; R78-Y132 HydrophobicContact CG-CD1 4.33Å; R78-Y132 HydrophobicContact CG-CE1 4.3Å; R78-Y132 PolarHBondContact NH2-O 3.19Å; R78-Y132 PolarHBondContact O-OH 3.16Å; R78-E137 IonicContact NH2-OE1 3.98Å; R78-E137 PolarHBondContact NH2-OE1 2.99Å; R78-E137 VanDerWaalsContact NH2-OE1 3.17Å; R78-E137 IonicContact NH2-OE2 2.69Å; R78-E137 PolarHBondContact NH2-OE2 3.19Å
79F96.2Very high93.6Very high143 Ų14344.1 Ų44.163%0.62724%0.238SC*.Hα-helixtrans-63.3-51.2177.5177.3-101.1000112.1Y75 V76 W77 I81 G82 L83Y75-F79 VanDerWaalsContact O-CB 3.28Å; Y75-F79 WeakPolarHBondContact O-CB 3.49Å; Y75-F79 PolarHBondContact O-N 3.04Å; V76-F79 PolarHBondContact O-N 3.03Å; W77-F79 VanDerWaalsContact C-N 3.3Å; W77-F79 PolarHBondContact O-N 3.23Å; F79-I81 PolarHBondContact O-N 2.98Å; F79-G82 PolarHBondContact O-N 3.47Å; F79-L83 HydrophobicContact CE1-CD2 4.46Å; F79-L83 WeakPolarHBondContact O-CB 3.3Å; F79-L83 PolarHBondContact O-N 3.15Å
80C96.4Very high94.3Very high16 Ų1646.5 Ų46.511%0.10824%0.243CC..Hα-helixtrans-65.6-38.7-179.4-72.10000112.5C29 A33 V76 W77 H84C29-C80 HydrophobicContact CB-CB 4.34Å; A33-C80 HydrophobicContact CB-CB 3.59Å; V76-C80 WeakPolarHBondContact O-CB 3.09Å; V76-C80 PolarHBondContact O-N 3.21Å; V76-C80 PolarHBondContact O-SG 2.9Å; W77-C80 PolarHBondContact O-N 3.13Å; C80-H84 WeakPolarHBondContact O-CB 3.21Å; C80-H84 PolarHBondContact O-CD2 3.04Å; C80-H84 PolarHBondContact O-N 3.25Å
81I96.1Very high94.5Very high2 Ų243.6 Ų43.61%0.0123%0.229CC..Hα-helixtrans-67.1-44.2174.9-59.3-57.4000111.8P30 W77 F79 L83 H84 S85 L127 L128 T131P30-I81 HydrophobicContact CB-CD1 3.94Å; W77-I81 HydrophobicContact CD2-CD1 4.31Å; W77-I81 HydrophobicContact CD2-CG1 3.94Å; W77-I81 HydrophobicContact CG-CG1 4.19Å; W77-I81 HydrophobicContact CH2-CD1 4.04Å; W77-I81 HydrophobicContact CZ2-CD1 3.68Å; W77-I81 HydrophobicContact CZ2-CG1 3.93Å; W77-I81 HydrophobicContact CZ3-CD1 4.48Å; W77-I81 WeakPolarHBondContact O-CB 3.4Å; W77-I81 VanDerWaalsContact O-CG1 3.3Å; W77-I81 WeakPolarHBondContact O-CG1 3.43Å; W77-I81 PolarHBondContact O-N 3.04Å; F79-I81 PolarHBondContact O-N 2.98Å; I81-L83 PolarHBondContact O-N 3.34Å; I81-H84 WeakPolarHBondContact CA-CD2 3.45Å; I81-H84 WeakPolarHBondContact CD1-NE2 3.14Å; I81-H84 PolarHBondContact O-N 3.35Å; I81-S85 WeakPolarHBondContact O-CB 3.44Å; I81-S85 PolarHBondContact O-N 2.67Å; I81-L127 HydrophobicContact CG2-CG 4.36Å; I81-L128 HydrophobicContact CG2-CD2 4.27Å; I81-T131 HydrophobicContact CB-CG2 3.75Å; I81-T131 HydrophobicContact CG1-CG2 3.96Å; I81-T131 HydrophobicContact CG2-CG2 3.93Å
82G95.4Very high94.6Very high22 Ų2240.4 Ų40.423%0.22721%0.21CC..Hα-helixtrans-56.5-48.7174.100000111.9R78 F79 S85R78-G82 PolarHBondContact O-N 3.45Å; F79-G82 PolarHBondContact O-N 3.47Å; G82-S85 WeakPolarHBondContact O-CB 3.5Å; G82-S85 PolarHBondContact O-N 2.77Å; G82-S85 PolarHBondContact O-OG 3.06Å
83L93.3Very high94.5Very high92 Ų9243.2 Ų43.248%0.48222%0.218SC..Hα-helixtrans-65.2-41.6-179.4-174.762.1000112.8F79 I81 S85 P87F79-L83 HydrophobicContact CE1-CD2 4.46Å; F79-L83 WeakPolarHBondContact O-CB 3.3Å; F79-L83 PolarHBondContact O-N 3.15Å; I81-L83 PolarHBondContact O-N 3.34Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.48Å; L83-P87 VanDerWaalsContact O-CD 3.31Å; L83-P87 WeakPolarHBondContact O-CD 3.33Å
84H93.6Very high94.3Very high4 Ų444.2 Ų44.22%0.01923%0.226CC..Hα-helixtrans-75.7-16.5-179.589.158.2000113.1C29 C80 I81 A86 P87 R88C29-H84 HydrophobicContact CB-CB 4.09Å; C80-H84 WeakPolarHBondContact O-CB 3.21Å; C80-H84 PolarHBondContact O-CD2 3.04Å; C80-H84 PolarHBondContact O-N 3.25Å; I81-H84 WeakPolarHBondContact CA-CD2 3.45Å; I81-H84 WeakPolarHBondContact CD1-NE2 3.14Å; I81-H84 PolarHBondContact O-N 3.35Å; H84-A86 PolarHBondContact O-N 2.72Å; H84-P87 VanDerWaalsContact O-CD 3.28Å; H84-P87 WeakPolarHBondContact O-CD 3.42Å; H84-R88 WeakPolarHBondContact ND1-CG 3.37Å; H84-R88 VanDerWaalsContact O-CG 3.29Å; H84-R88 WeakPolarHBondContact O-CG 3.31Å; H84-R88 PolarHBondContact O-N 2.91Å
85S93.9Very high94.2Very high24 Ų2442.3 Ų42.317%0.16822%0.219CC..Hα-helixtrans-60.1-45-172.968.40000112.6I81 G82 L83 R88 F89I81-S85 WeakPolarHBondContact O-CB 3.44Å; I81-S85 PolarHBondContact O-N 2.67Å; G82-S85 WeakPolarHBondContact O-CB 3.5Å; G82-S85 PolarHBondContact O-N 2.77Å; G82-S85 PolarHBondContact O-OG 3.06Å; L83-S85 VanDerWaalsContact C-N 3.28Å; L83-S85 PolarHBondContact O-N 3.48Å; S85-R88 WeakPolarHBondContact O-CB 3.24Å; S85-R88 PolarHBondContact O-N 3.31Å; S85-F89 WeakPolarHBondContact O-CD2 3.28Å; S85-F89 PolarHBondContact O-N 2.51Å; S85-F89 VanDerWaalsContact O-N 3.1Å
86A92.6Very high94.1Very high57 Ų5738.2 Ų38.247%0.47120%0.203SC..Hα-helixtrans-62-50.2177.400000112.5H84 R88 F89 L90H84-A86 PolarHBondContact O-N 2.72Å; A86-R88 VanDerWaalsContact C-N 3.26Å; A86-R88 PolarHBondContact O-N 3.16Å; A86-F89 PolarHBondContact O-N 3.18Å; A86-L90 WeakPolarHBondContact O-CG 3.32Å; A86-L90 PolarHBondContact O-N 3.43Å
87P92.1Very high93.8Very high20 Ų2040.8 Ų40.813%0.1322%0.215CC..Hα-helixtrans-49.8-41.7169.3-30.333.3000114.3V22 V25 T26 L83 H84 L90 V91V22-P87 HydrophobicContact CG1-CB 3.99Å; V25-P87 HydrophobicContact CG1-CG 3.89Å; T26-P87 WeakPolarHBondContact OG1-CB 3.43Å; L83-P87 VanDerWaalsContact O-CD 3.31Å; L83-P87 WeakPolarHBondContact O-CD 3.33Å; H84-P87 VanDerWaalsContact O-CD 3.28Å; H84-P87 WeakPolarHBondContact O-CD 3.42Å; P87-L90 WeakPolarHBondContact O-CB 3.46Å; P87-L90 PolarHBondContact O-N 2.87Å; P87-V91 VanDerWaalsContact O-CG2 3.3Å; P87-V91 WeakPolarHBondContact O-CG2 3.5Å; P87-V91 PolarHBondContact O-N 3.01Å
88R94.2Very high93.4Very high6 Ų642.5 Ų42.52%0.02322%0.223CC..Hα-helixtrans-63.1-45.7178.4-67.9-86.2-70.5143.7-9.2112.8T26 H84 S85 A86 L90 V91 A92 E123 N124 H231T26-R88 HydrophobicContact CG2-CG 3.92Å; H84-R88 WeakPolarHBondContact ND1-CG 3.37Å; H84-R88 VanDerWaalsContact O-CG 3.29Å; H84-R88 WeakPolarHBondContact O-CG 3.31Å; H84-R88 PolarHBondContact O-N 2.91Å; S85-R88 WeakPolarHBondContact O-CB 3.24Å; S85-R88 PolarHBondContact O-N 3.31Å; A86-R88 VanDerWaalsContact C-N 3.26Å; A86-R88 PolarHBondContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-V91 PolarHBondContact O-N 3.27Å; R88-A92 PolarHBondContact O-N 3.35Å; R88-E123 IonicContact CZ-OE1 2.67Å; R88-E123 IonicContact NH2-OE1 3.06Å; R88-E123 PolarHBondContact NH2-OE1 3.08Å; R88-E123 IonicContact NH2-OE2 2.8Å; R88-N124 WeakPolarHBondContact CB-OD1 3.37Å; R88-N124 VanDerWaalsContact CZ-OD1 3.23Å; R88-N124 PolarHBondContact NE-OD1 2.93Å; R88-N124 PolarHBondContact NH2-OD1 2.84Å; R88-H231 PolarHBondContact NH1-CD2 3.47Å; R88-H231 PolarHBondContact NH1-CE1 3.31Å; R88-H231 PolarHBondContact NH1-ND1 3.26Å; R88-H231 PolarHBondContact NH1-NE2 3.06Å; R88-H231 VanDerWaalsContact NH1-NE2 3.1Å; R88-H231 PolarHBondContact NH2-NE2 3.44Å; R88-H231 VanDerWaalsContact NH2-NE2 3.19Å
89F94.8Very high93.1Very high46 Ų4640.5 Ų40.520%0.20222%0.216CC..Hα-helixtrans-63-42.4176.2-73.4-67.1000111S85 A86 V91 A92 F93 V121 N124 L125 L128S85-F89 WeakPolarHBondContact O-CD2 3.28Å; S85-F89 PolarHBondContact O-N 2.51Å; S85-F89 VanDerWaalsContact O-N 3.1Å; A86-F89 PolarHBondContact O-N 3.18Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 3.48Å; F89-A92 WeakPolarHBondContact O-CB 3.22Å; F89-A92 PolarHBondContact O-N 2.8Å; F89-A92 VanDerWaalsContact O-N 3.11Å; F89-F93 WeakPolarHBondContact O-CD2 3.46Å; F89-F93 PolarHBondContact O-N 2.99Å; F89-V121 HydrophobicContact CE1-CG1 4.28Å; F89-N124 HydrophobicContact CD1-CB 4.28Å; F89-N124 HydrophobicContact CE1-CB 3.6Å; F89-N124 HydrophobicContact CE2-CB 4.15Å; F89-N124 HydrophobicContact CZ-CB 3.53Å; F89-L125 HydrophobicContact CZ-CD2 4.04Å; F89-L125 HydrophobicContact CZ-CG 4.24Å; F89-L128 HydrophobicContact CE2-CD1 4.15Å; F89-L128 HydrophobicContact CZ-CD1 4.43Å
90L92.4Very high92.7Very high81 Ų8137 Ų3742%0.42420%0.203SC..Hα-helixtrans-57.7-43.3174.6-69.2173.5000112.1A86 P87 R88 F93 A94A86-L90 WeakPolarHBondContact O-CG 3.32Å; A86-L90 PolarHBondContact O-N 3.43Å; P87-L90 WeakPolarHBondContact O-CB 3.46Å; P87-L90 PolarHBondContact O-N 2.87Å; R88-L90 VanDerWaalsContact C-N 3.34Å; L90-F93 PolarHBondContact O-N 2.87Å; L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.22Å
91V92.1Very high92.2Very high2 Ų240.6 Ų40.61%0.01223%0.228CC..Hα-helixtrans-62.5-41.5175.3171.60000111.1F19 V22 P87 R88 F89 F93 A94 Y95 A234F19-V91 HydrophobicContact CE1-CG2 4.29Å; F19-V91 HydrophobicContact CZ-CB 4.37Å; F19-V91 HydrophobicContact CZ-CG1 4.44Å; F19-V91 HydrophobicContact CZ-CG2 3.82Å; V22-V91 HydrophobicContact CG1-CG2 3.97Å; P87-V91 VanDerWaalsContact O-CG2 3.3Å; P87-V91 WeakPolarHBondContact O-CG2 3.5Å; P87-V91 PolarHBondContact O-N 3.01Å; R88-V91 PolarHBondContact O-N 3.27Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 PolarHBondContact O-N 3.48Å; V91-F93 PolarHBondContact O-N 3.1Å; V91-A94 PolarHBondContact O-N 3.06Å; V91-Y95 HydrophobicContact CG1-CD2 3.7Å; V91-Y95 HydrophobicContact CG1-CE2 3.58Å; V91-Y95 VanDerWaalsContact O-CD2 3.31Å; V91-Y95 WeakPolarHBondContact O-CD2 3.13Å; V91-Y95 PolarHBondContact O-N 3.38Å; V91-A234 HydrophobicContact CG1-CB 4.28Å
92A94.3Very high91.6Very high2 Ų241.3 Ų41.32%0.01723%0.234CC..Hα-helixtrans-60-44.217600000112R88 F89 Y95 W96 F117 N120R88-A92 PolarHBondContact O-N 3.35Å; F89-A92 WeakPolarHBondContact O-CB 3.22Å; F89-A92 PolarHBondContact O-N 2.8Å; F89-A92 VanDerWaalsContact O-N 3.11Å; A92-Y95 PolarHBondContact O-N 3.05Å; A92-W96 WeakPolarHBondContact O-CB 3.49Å; A92-W96 PolarHBondContact O-N 2.89Å; A92-F117 HydrophobicContact CB-CD2 4.37Å; A92-F117 HydrophobicContact CB-CE2 4.19Å; A92-N120 HydrophobicContact CB-CB 4.13Å
93F93.1Very high90.8Very high104 Ų10444 Ų4446%0.45625%0.254SS..Hα-helixtrans-65.6-37.3174.6-75.7-71.3000112.7F89 L90 V91 W96 N97 F117F89-F93 WeakPolarHBondContact O-CD2 3.46Å; F89-F93 PolarHBondContact O-N 2.99Å; L90-F93 PolarHBondContact O-N 2.87Å; V91-F93 PolarHBondContact O-N 3.1Å; F93-W96 WeakPolarHBondContact O-CB 3.34Å; F93-W96 PolarHBondContact O-N 3Å; F93-N97 PolarHBondContact O-N 3.08Å; F93-N97 PolarHBondContact O-ND2 3.45Å; F93-F117 AromaticContact CD1-CE2 3.81Å; F93-F117 HydrophobicContact CD1-CE2 3.81Å; F93-F117 AromaticContact CD1-CZ 3.79Å; F93-F117 HydrophobicContact CD1-CZ 3.79Å; F93-F117 HydrophobicContact CE1-CE1 4.44Å; F93-F117 AromaticContact CE1-CE2 3.93Å; F93-F117 HydrophobicContact CE1-CE2 3.93Å; F93-F117 AromaticContact CE1-CZ 3.43Å; F93-F117 HydrophobicContact CE1-CZ 3.43Å; F93-F117 VanDerWaalsContact CE1-CZ 3.43Å; F93-F117 HydrophobicContact CG-CE2 4.19Å; F93-F117 HydrophobicContact CZ-CE2 4.39Å; F93-F117 AromaticContact CZ-CZ 3.84Å; F93-F117 HydrophobicContact CZ-CZ 3.84Å
94A91.5Very high90.1Very high21 Ų2141 Ų4117%0.17424%0.24CC..Hα-helixtrans-63.8-43.6176.800000112.1F19 L90 V91 N97 H98 F238F19-A94 HydrophobicContact CE2-CB 3.47Å; F19-A94 VanDerWaalsContact CE2-CB 3.47Å; F19-A94 HydrophobicContact CZ-CB 3.78Å; L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.22Å; V91-A94 PolarHBondContact O-N 3.06Å; A94-N97 PolarHBondContact O-N 3.27Å; A94-H98 WeakPolarHBondContact O-CB 3.21Å; A94-H98 PolarHBondContact O-N 3.49Å; A94-F238 HydrophobicContact CB-CE1 4.38Å; A94-F238 HydrophobicContact CB-CZ 4.13Å
95Y91.6Very high89.3Confident8 Ų847.3 Ų47.33%0.03128%0.282CS..Hα-helixtrans-65-40.7173-83.4-70.3000112.5V91 A92 N97 H98 Y99 K183 A234 D237 F238V91-Y95 HydrophobicContact CG1-CD2 3.7Å; V91-Y95 HydrophobicContact CG1-CE2 3.58Å; V91-Y95 VanDerWaalsContact O-CD2 3.31Å; V91-Y95 WeakPolarHBondContact O-CD2 3.13Å; V91-Y95 PolarHBondContact O-N 3.38Å; A92-Y95 PolarHBondContact O-N 3.05Å; Y95-N97 PolarHBondContact O-N 2.92Å; Y95-H98 PolarHBondContact O-N 2.93Å; Y95-Y99 HydrophobicContact CD1-CE2 4.28Å; Y95-Y99 AromaticContact CD1-CZ 3.91Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.18Å; Y95-Y99 VanDerWaalsContact O-CG 3.28Å; Y95-Y99 PolarHBondContact O-N 2.83Å; Y95-K183 PolarHBondContact OH-NZ 3.47Å; Y95-A234 HydrophobicContact CE2-CB 3.97Å; Y95-A234 VanDerWaalsContact OH-CA 3.29Å; Y95-A234 WeakPolarHBondContact OH-CA 3.14Å; Y95-A234 WeakPolarHBondContact OH-CB 3.18Å; Y95-A234 PolarHBondContact OH-N 2.79Å; Y95-D237 HydrophobicContact CE1-CB 4.4Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.42Å; Y95-D237 PolarHBondContact OH-OD2 2.04Å; Y95-F238 AromaticContact CD1-CE2 3.84Å; Y95-F238 HydrophobicContact CD1-CE2 3.84Å; Y95-F238 AromaticContact CD1-CZ 3.87Å; Y95-F238 HydrophobicContact CD1-CZ 3.87Å; Y95-F238 AromaticContact CD2-CE2 3.99Å; Y95-F238 HydrophobicContact CD2-CE2 3.99Å; Y95-F238 HydrophobicContact CD2-CZ 4.46Å; Y95-F238 AromaticContact CE1-CE2 3.67Å; Y95-F238 HydrophobicContact CE1-CE2 3.67Å; Y95-F238 HydrophobicContact CE1-CZ 4.1Å; Y95-F238 AromaticContact CE2-CE2 3.83Å; Y95-F238 HydrophobicContact CE2-CE2 3.83Å; Y95-F238 HydrophobicContact CG-CE2 4.01Å; Y95-F238 HydrophobicContact CG-CZ 4.08Å; Y95-F238 AromaticContact CZ-CE2 3.68Å
96W93.2Very high88.8Confident52 Ų5248.3 Ų48.320%0.19729%0.288CS..Hα-helixtrans-56.4-51.2174.8169.2-105.9000111.9A92 F93 H98 Y99 L100 C113 R114 F117A92-W96 WeakPolarHBondContact O-CB 3.49Å; A92-W96 PolarHBondContact O-N 2.89Å; F93-W96 WeakPolarHBondContact O-CB 3.34Å; F93-W96 PolarHBondContact O-N 3Å; W96-H98 VanDerWaalsContact C-N 3.32Å; W96-H98 PolarHBondContact O-N 3.42Å; W96-Y99 PolarHBondContact O-N 3.24Å; W96-L100 HydrophobicContact CD2-CD1 4.16Å; W96-L100 HydrophobicContact CD2-CG 4.3Å; W96-L100 VanDerWaalsContact CE2-CD1 3.46Å; W96-L100 HydrophobicContact CH2-CD1 4.3Å; W96-L100 HydrophobicContact CH2-CD2 3.96Å; W96-L100 HydrophobicContact CH2-CG 4.3Å; W96-L100 HydrophobicContact CZ2-CD1 3.6Å; W96-L100 HydrophobicContact CZ2-CD2 4.07Å; W96-L100 HydrophobicContact CZ2-CG 4.07Å; W96-L100 HydrophobicContact CZ3-CD2 4.38Å; W96-L100 WeakPolarHBondContact O-CG 3.37Å; W96-L100 PolarHBondContact O-N 2.86Å; W96-C113 HydrophobicContact CE3-CB 4.48Å; W96-C113 HydrophobicContact CZ3-CB 3.99Å; W96-R114 HydrophobicContact CH2-CB 4.33Å; W96-R114 HydrophobicContact CH2-CG 3.37Å; W96-R114 VanDerWaalsContact CZ3-CA 3.49Å; W96-R114 HydrophobicContact CZ3-CB 4.19Å; W96-R114 HydrophobicContact CZ3-CG 3.67Å; W96-F117 HydrophobicContact CB-CB 4.39Å; W96-F117 HydrophobicContact CB-CD2 3.66Å; W96-F117 HydrophobicContact CB-CE2 4.22Å; W96-F117 HydrophobicContact CB-CG 4.12Å; W96-F117 HydrophobicContact CD2-CB 4.2Å; W96-F117 HydrophobicContact CD2-CG 4.16Å; W96-F117 HydrophobicContact CE3-CB 3.61Å; W96-F117 HydrophobicContact CE3-CG 4.06Å; W96-F117 HydrophobicContact CG-CD2 4.15Å; W96-F117 HydrophobicContact CG-CG 4.24Å; W96-F117 HydrophobicContact CZ3-CB 4.33Å
97N90.4Very high88.4Confident99 Ų9951.2 Ų51.253%0.52931%0.305SS..Hα-helixtrans-62.7-39.9177.4-71.3-21.6000111.9F93 A94 Y95 L100 S101F93-N97 PolarHBondContact O-N 3.08Å; F93-N97 PolarHBondContact O-ND2 3.45Å; A94-N97 PolarHBondContact O-N 3.27Å; Y95-N97 PolarHBondContact O-N 2.92Å; N97-L100 PolarHBondContact O-N 2.79Å; N97-S101 PolarHBondContact O-N 2.99Å
98H88.8Confident88.3Confident47 Ų4752.4 Ų52.422%0.21831%0.314CS..Hα-helixtrans-60.6-48.6175.4176.955.1000111.8A94 Y95 W96 L100 S101 C102 F238A94-H98 WeakPolarHBondContact O-CB 3.21Å; A94-H98 PolarHBondContact O-N 3.49Å; Y95-H98 PolarHBondContact O-N 2.93Å; W96-H98 VanDerWaalsContact C-N 3.32Å; W96-H98 PolarHBondContact O-N 3.42Å; H98-L100 VanDerWaalsContact C-N 3.35Å; H98-L100 PolarHBondContact O-N 3.46Å; H98-S101 PolarHBondContact O-N 3.06Å; H98-S101 PolarHBondContact O-OG 3.49Å; H98-C102 PolarHBondContact O-N 2.99Å; H98-C102 PolarHBondContact O-SG 3.26Å; H98-C102 VanDerWaalsContact O-SG 3.4Å; H98-F238 HydrophobicContact CB-CE1 4.11Å; H98-F238 HydrophobicContact CB-CZ 4.19Å
99Y89.8Confident88.2Confident3 Ų352.5 Ų52.51%0.01231%0.314CS..Hα-helixtrans-66.2-35.7179.3-62.4-38.3000112.7Y95 W96 S101 C102 Y109 L163 W164Y95-Y99 HydrophobicContact CD1-CE2 4.28Å; Y95-Y99 AromaticContact CD1-CZ 3.91Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.18Å; Y95-Y99 VanDerWaalsContact O-CG 3.28Å; Y95-Y99 PolarHBondContact O-N 2.83Å; W96-Y99 PolarHBondContact O-N 3.24Å; Y99-S101 VanDerWaalsContact C-N 3.3Å; Y99-S101 PolarHBondContact O-N 2.97Å; Y99-C102 PolarHBondContact O-N 3.33Å; Y99-Y109 WeakPolarHBondContact O-CE1 3.41Å; Y99-Y109 PolarHBondContact O-OH 3.23Å; Y99-L163 HydrophobicContact CD2-CD1 4.03Å; Y99-L163 HydrophobicContact CE2-CD1 3.91Å; Y99-W164 AromaticContact CE1-NE1 3.75Å; Y99-W164 AromaticContact CZ-NE1 3.87Å; Y99-W164 PolarHBondContact OH-NE1 3.41Å
100L87.1Confident88.1Confident69 Ų6957.8 Ų57.836%0.36133%0.332SS..Hα-helixtrans-65.5-32.3173.8-73.1-177.9000113.4W96 N97 H98 C102W96-L100 HydrophobicContact CD2-CD1 4.16Å; W96-L100 HydrophobicContact CD2-CG 4.3Å; W96-L100 VanDerWaalsContact CE2-CD1 3.46Å; W96-L100 HydrophobicContact CH2-CD1 4.3Å; W96-L100 HydrophobicContact CH2-CD2 3.96Å; W96-L100 HydrophobicContact CH2-CG 4.3Å; W96-L100 HydrophobicContact CZ2-CD1 3.6Å; W96-L100 HydrophobicContact CZ2-CD2 4.07Å; W96-L100 HydrophobicContact CZ2-CG 4.07Å; W96-L100 HydrophobicContact CZ3-CD2 4.38Å; W96-L100 WeakPolarHBondContact O-CG 3.37Å; W96-L100 PolarHBondContact O-N 2.86Å; N97-L100 PolarHBondContact O-N 2.79Å; H98-L100 VanDerWaalsContact C-N 3.35Å; H98-L100 PolarHBondContact O-N 3.46Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å
101S85.3Confident88.2Confident91 Ų9157.3 Ų57.364%0.63633%0.334SS*.Hα-helixtrans-72.8-19.2177.772.60000113.5N97 H98 Y99N97-S101 PolarHBondContact O-N 2.99Å; H98-S101 PolarHBondContact O-N 3.06Å; H98-S101 PolarHBondContact O-OG 3.49Å; Y99-S101 VanDerWaalsContact C-N 3.3Å; Y99-S101 PolarHBondContact O-N 2.97Å
102C83.8Confident88.3Confident18 Ų1859 Ų5912%0.12234%0.343CS..SBendtrans-82.4131.5-179.7-71.50000111.3H98 Y99 L100 Y109 T167H98-C102 PolarHBondContact O-N 2.99Å; H98-C102 PolarHBondContact O-SG 3.26Å; H98-C102 VanDerWaalsContact O-SG 3.4Å; Y99-C102 PolarHBondContact O-N 3.33Å; L100-C102 VanDerWaalsContact C-N 3.26Å; L100-C102 PolarHBondContact O-N 3.45Å; C102-Y109 WeakPolarHBondContact CB-OH 3.29Å; C102-T167 HydrophobicContact CB-CG2 3.95Å
103A78.3Confident88.4Confident78 Ų7859 Ų5965%0.64534%0.343SS*.  trans-86.2121.3171.800000110
104S79.1Confident88.5Confident28 Ų2861.3 Ų61.320%0.19635%0.348CS..  trans-123.6134.9172.4-175.10000110.3C106S104-C106 PolarHBondContact O-N 3.41Å; S104-C106 PolarHBondContact OG-N 3.07Å
105P76.3Confident88.8Confident137 Ų13764.8 Ų64.889%0.8936%0.364SS*.SBendtrans-72.7-8.9176.528.2-32.6000113.7
106C83.8Confident89.1Confident45 Ų4564.5 Ų64.530%0.30436%0.363SS..  trans-76.5125.9176.1-164.90000111.5S104 C108 Y109S104-C106 PolarHBondContact O-N 3.41Å; S104-C106 PolarHBondContact OG-N 3.07Å; C106-C108 WeakPolarHBondContact CB-SG 3.35Å; C106-C108 PolarHBondContact O-N 3.49Å; C106-C108 WeakPolarHBondContact SG-CB 3.45Å; C106-C108 PolarHBondContact SG-N 3.38Å; C106-C108 VanDerWaalsContact SG-N 3.4Å; C106-C108 CovalentContact SG-SG 2.07Å; C106-C108 PolarHBondContact SG-SG 3.25Å; C106-Y109 VanDerWaalsContact O-CB 3.22Å; C106-Y109 WeakPolarHBondContact O-CB 3.41Å; C106-Y109 PolarHBondContact O-N 2.91Å
107S85.4Confident89.3Confident119 Ų11964.2 Ų64.283%0.83236%0.363SS*.THydrogen-bonded Turntrans-57.8-30170.557.80000112.8Y109S107-Y109 VanDerWaalsContact C-N 3.26Å; S107-Y109 PolarHBondContact O-N 3.5Å
108C89.8Confident89.7Confident45 Ų4560.9 Ų60.930%0.30435%0.352SS..THydrogen-bonded Turntrans-69-17.6177.170.30000114.6C106 R110 P111 L112C106-C108 WeakPolarHBondContact CB-SG 3.35Å; C106-C108 PolarHBondContact O-N 3.49Å; C106-C108 WeakPolarHBondContact SG-CB 3.45Å; C106-C108 PolarHBondContact SG-N 3.38Å; C106-C108 VanDerWaalsContact SG-N 3.4Å; C106-C108 CovalentContact SG-SG 2.07Å; C106-C108 PolarHBondContact SG-SG 3.25Å; C108-R110 PolarHBondContact O-N 3.42Å; C108-P111 VanDerWaalsContact O-CD 3.3Å; C108-P111 WeakPolarHBondContact O-CD 3.39Å; C108-L112 HydrophobicContact CB-CD1 4.26Å; C108-L112 VanDerWaalsContact O-CG 3.26Å; C108-L112 WeakPolarHBondContact O-CG 3.21Å; C108-L112 PolarHBondContact O-N 3.47Å; C108-L112 VanDerWaalsContact O-N 3.12Å
109Y91.6Very high90.1Very high8 Ų860.5 Ų60.53%0.03135%0.351CS..Hα-helixtrans-63.3-49.5-166.6-179.9-109.5000113.1Y99 C102 C106 S107 L112 C113 L163 L166 T167Y99-Y109 WeakPolarHBondContact O-CE1 3.41Å; Y99-Y109 PolarHBondContact O-OH 3.23Å; C102-Y109 WeakPolarHBondContact CB-OH 3.29Å; C106-Y109 VanDerWaalsContact O-CB 3.22Å; C106-Y109 WeakPolarHBondContact O-CB 3.41Å; C106-Y109 PolarHBondContact O-N 2.91Å; S107-Y109 VanDerWaalsContact C-N 3.26Å; S107-Y109 PolarHBondContact O-N 3.5Å; Y109-L112 PolarHBondContact O-N 2.99Å; Y109-C113 VanDerWaalsContact CZ-SG 3.54Å; Y109-C113 PolarHBondContact O-N 3.42Å; Y109-C113 PolarHBondContact O-SG 2.98Å; Y109-L163 HydrophobicContact CD2-CD2 3.79Å; Y109-L163 HydrophobicContact CE2-CD2 3.61Å; Y109-L166 HydrophobicContact CD2-CB 4.37Å; Y109-L166 HydrophobicContact CD2-CD1 4.39Å; Y109-T167 HydrophobicContact CE2-CG2 3.56Å; Y109-T167 VanDerWaalsContact OH-CG2 3.24Å; Y109-T167 WeakPolarHBondContact OH-CG2 3.49Å
110R91.8Very high90.5Very high156 Ų15660.4 Ų60.459%0.58935%0.351SS*.Hα-helixtrans-63.2-45.7-178.9-71.1-176.6180-112.62.1112.9C108 L112 C113 R114C108-R110 PolarHBondContact O-N 3.42Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.2Å; R110-C113 WeakPolarHBondContact O-CB 3.41Å; R110-C113 PolarHBondContact O-N 3.17Å; R110-R114 PolarHBondContact O-N 3.45Å; R110-R114 VanDerWaalsContact O-N 3.13Å
111P94.5Very high91.1Very high71 Ų7158.7 Ų58.746%0.46134%0.343SS..Hα-helixtrans-54.6-45.4170.4-27.733.3000113.4C108 C113 R114 L115C108-P111 VanDerWaalsContact O-CD 3.3Å; C108-P111 WeakPolarHBondContact O-CD 3.39Å; P111-C113 VanDerWaalsContact C-N 3.32Å; P111-C113 PolarHBondContact O-N 3.41Å; P111-R114 WeakPolarHBondContact O-CB 3.21Å; P111-R114 PolarHBondContact O-N 3.06Å; P111-R114 VanDerWaalsContact O-N 3.16Å; P111-L115 PolarHBondContact O-N 3.16Å
112L95.3Very high91.7Very high39 Ų3957.2 Ų57.220%0.20433%0.33CS..Hα-helixtrans-63.9-36.9178.9-68.3172.8000112.3C108 Y109 R110 R114 L115 N116 L159 I162 L163 L166C108-L112 HydrophobicContact CB-CD1 4.26Å; C108-L112 VanDerWaalsContact O-CG 3.26Å; C108-L112 WeakPolarHBondContact O-CG 3.21Å; C108-L112 PolarHBondContact O-N 3.47Å; C108-L112 VanDerWaalsContact O-N 3.12Å; Y109-L112 PolarHBondContact O-N 2.99Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3.2Å; L112-R114 VanDerWaalsContact C-N 3.35Å; L112-L115 PolarHBondContact O-N 2.91Å; L112-N116 VanDerWaalsContact O-CB 3.31Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.13Å; L112-L159 HydrophobicContact CD2-CD2 3.9Å; L112-I162 HydrophobicContact CD1-CG2 4.45Å; L112-L163 HydrophobicContact CB-CD2 3.78Å; L112-L166 HydrophobicContact CD1-CD1 3.98Å
113C95Very high92.4Very high1 Ų156.4 Ų56.41%0.00733%0.325CS..Hα-helixtrans-61.5-43.4173.7-630000111.5W96 Y109 R110 P111 N116 F117W96-C113 HydrophobicContact CE3-CB 4.48Å; W96-C113 HydrophobicContact CZ3-CB 3.99Å; Y109-C113 VanDerWaalsContact CZ-SG 3.54Å; Y109-C113 PolarHBondContact O-N 3.42Å; Y109-C113 PolarHBondContact O-SG 2.98Å; R110-C113 WeakPolarHBondContact O-CB 3.41Å; R110-C113 PolarHBondContact O-N 3.17Å; P111-C113 VanDerWaalsContact C-N 3.32Å; P111-C113 PolarHBondContact O-N 3.41Å; C113-N116 PolarHBondContact O-N 3.4Å; C113-F117 PolarHBondContact O-N 3.29Å
114R96.2Very high93.3Very high152 Ų15252.8 Ų52.857%0.57430%0.295SS*.Hα-helixtrans-64.7-45.5179.8-74.7174.8-173.8142.8-1110.9W96 R110 P111 L112 F117 G118W96-R114 HydrophobicContact CH2-CB 4.33Å; W96-R114 HydrophobicContact CH2-CG 3.37Å; W96-R114 VanDerWaalsContact CZ3-CA 3.49Å; W96-R114 HydrophobicContact CZ3-CB 4.19Å; W96-R114 HydrophobicContact CZ3-CG 3.67Å; R110-R114 PolarHBondContact O-N 3.45Å; R110-R114 VanDerWaalsContact O-N 3.13Å; P111-R114 WeakPolarHBondContact O-CB 3.21Å; P111-R114 PolarHBondContact O-N 3.06Å; P111-R114 VanDerWaalsContact O-N 3.16Å; L112-R114 VanDerWaalsContact C-N 3.35Å; R114-F117 PolarHBondContact O-N 3.41Å; R114-G118 PolarHBondContact O-N 3.2Å
115L97.7Very high94.2Very high94 Ų9455.8 Ų55.849%0.49231%0.308SS..Hα-helixtrans-62-46.3176.7-176.760.5000110.9P111 L112 F117 G118 L119 L159P111-L115 PolarHBondContact O-N 3.16Å; L112-L115 PolarHBondContact O-N 2.91Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.48Å; L115-G118 PolarHBondContact O-N 3.34Å; L115-L119 HydrophobicContact CD1-CG 4.3Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 WeakPolarHBondContact O-CG 3.24Å; L115-L119 PolarHBondContact O-N 2.91Å; L115-L159 HydrophobicContact CB-CD1 4.02Å; L115-L159 HydrophobicContact CD2-CD1 3.65Å; L115-L159 HydrophobicContact CG-CD1 3.57Å
116N97.6Very high95.3Very high3 Ų349.6 Ų49.62%0.01627%0.269CS..Hα-helixtrans-59.5-44.3177.9-170.784.3000112.2L112 C113 L119 N120 H156 L159 T160 L163L112-N116 VanDerWaalsContact O-CB 3.31Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.13Å; C113-N116 PolarHBondContact O-N 3.4Å; N116-L119 PolarHBondContact O-N 3.4Å; N116-N120 PolarHBondContact O-N 3.12Å; N116-H156 PolarHBondContact ND2-NE2 2.94Å; N116-H156 PolarHBondContact O-CD2 3.4Å; N116-H156 PolarHBondContact OD1-O 3.47Å; N116-H156 VanDerWaalsContact OD1-O 3.04Å; N116-L159 HydrophobicContact CB-CB 4.08Å; N116-L159 HydrophobicContact CB-CD1 4.22Å; N116-L159 VanDerWaalsContact OD1-CB 3.26Å; N116-L159 WeakPolarHBondContact OD1-CB 3.17Å; N116-T160 PolarHBondContact OD1-N 2.95Å; N116-T160 PolarHBondContact OD1-OG1 3.11Å; N116-T160 VanDerWaalsContact OD1-OG1 3.1Å; N116-L163 HydrophobicContact CB-CD1 3.66Å
117F97.9Very high95.9Very high46 Ų4648.5 Ų48.520%0.20226%0.259CS..Hα-helixtrans-62.1-46.7174.9173.9-106.3000111.8A92 F93 W96 C113 R114 L115 L119 N120 V121A92-F117 HydrophobicContact CB-CD2 4.37Å; A92-F117 HydrophobicContact CB-CE2 4.19Å; F93-F117 AromaticContact CD1-CE2 3.81Å; F93-F117 HydrophobicContact CD1-CE2 3.81Å; F93-F117 AromaticContact CD1-CZ 3.79Å; F93-F117 HydrophobicContact CD1-CZ 3.79Å; F93-F117 HydrophobicContact CE1-CE1 4.44Å; F93-F117 AromaticContact CE1-CE2 3.93Å; F93-F117 HydrophobicContact CE1-CE2 3.93Å; F93-F117 AromaticContact CE1-CZ 3.43Å; F93-F117 HydrophobicContact CE1-CZ 3.43Å; F93-F117 VanDerWaalsContact CE1-CZ 3.43Å; F93-F117 HydrophobicContact CG-CE2 4.19Å; F93-F117 HydrophobicContact CZ-CE2 4.39Å; F93-F117 AromaticContact CZ-CZ 3.84Å; F93-F117 HydrophobicContact CZ-CZ 3.84Å; W96-F117 HydrophobicContact CB-CB 4.39Å; W96-F117 HydrophobicContact CB-CD2 3.66Å; W96-F117 HydrophobicContact CB-CE2 4.22Å; W96-F117 HydrophobicContact CB-CG 4.12Å; W96-F117 HydrophobicContact CD2-CB 4.2Å; W96-F117 HydrophobicContact CD2-CG 4.16Å; W96-F117 HydrophobicContact CE3-CB 3.61Å; W96-F117 HydrophobicContact CE3-CG 4.06Å; W96-F117 HydrophobicContact CG-CD2 4.15Å; W96-F117 HydrophobicContact CG-CG 4.24Å; W96-F117 HydrophobicContact CZ3-CB 4.33Å; C113-F117 PolarHBondContact O-N 3.29Å; R114-F117 PolarHBondContact O-N 3.41Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.48Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.21Å; F117-N120 WeakPolarHBondContact O-CB 3.47Å; F117-N120 PolarHBondContact O-N 3.04Å; F117-V121 HydrophobicContact CD1-CG2 4.46Å; F117-V121 HydrophobicContact CD2-CG2 4.38Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.89Å; F117-V121 HydrophobicContact CZ-CG2 3.65Å; F117-V121 WeakPolarHBondContact O-CG2 3.44Å; F117-V121 PolarHBondContact O-N 3.45Å
118G98.3Very high96.5Very high29 Ų2944.6 Ų44.630%0.29923%0.229SC..Hα-helixtrans-57.8-44.5176.400000112.7R114 L115 N120 V121 V122R114-G118 PolarHBondContact O-N 3.2Å; L115-G118 PolarHBondContact O-N 3.34Å; G118-N120 PolarHBondContact O-N 2.96Å; G118-V121 PolarHBondContact O-N 2.98Å; G118-V122 WeakPolarHBondContact O-CG2 3.42Å; G118-V122 PolarHBondContact O-N 3.04Å
119L98.6Very high96.8Very high38 Ų3845.4 Ų45.420%0.19923%0.233CC..Hα-helixtrans-62.1-40.9176-68.2178.5000112L115 N116 F117 V121 V122 E123 G155 H156 L159L115-L119 HydrophobicContact CD1-CG 4.3Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 WeakPolarHBondContact O-CG 3.24Å; L115-L119 PolarHBondContact O-N 2.91Å; N116-L119 PolarHBondContact O-N 3.4Å; F117-L119 VanDerWaalsContact C-N 3.34Å; F117-L119 PolarHBondContact O-N 3.21Å; L119-V121 PolarHBondContact O-N 3.36Å; L119-V122 PolarHBondContact O-N 3.3Å; L119-E123 VanDerWaalsContact O-CB 3.3Å; L119-E123 WeakPolarHBondContact O-CB 3.32Å; L119-E123 PolarHBondContact O-N 3.46Å; L119-G155 VanDerWaalsContact CD1-C 3.46Å; L119-H156 HydrophobicContact CB-CB 4.07Å; L119-L159 HydrophobicContact CD1-CD1 3.64Å; L119-L159 HydrophobicContact CD1-CG 4.41Å
120N98.1Very high97Very high1 Ų145.9 Ų45.91%0.00524%0.235CC..Hα-helixtrans-63.6-41.4175.7-157.4-33000111.9A92 N116 F117 G118 E123 N124 H156A92-N120 HydrophobicContact CB-CB 4.13Å; N116-N120 PolarHBondContact O-N 3.12Å; F117-N120 WeakPolarHBondContact O-CB 3.47Å; F117-N120 PolarHBondContact O-N 3.04Å; G118-N120 PolarHBondContact O-N 2.96Å; N120-E123 PolarHBondContact O-N 3.41Å; N120-N124 PolarHBondContact O-N 3.3Å; N120-N124 VanDerWaalsContact O-N 3.07Å; N120-N124 PolarHBondContact O-ND2 2.84Å; N120-N124 PolarHBondContact OD1-ND2 3.42Å; N120-H156 VanDerWaalsContact CB-CD2 3.44Å; N120-H156 WeakPolarHBondContact CB-CD2 3.48Å; N120-H156 PolarHBondContact ND2-NE2 3.33Å
121V98.4Very high97.2Very high34 Ų3438.8 Ų38.821%0.20621%0.21CC..Hα-helixtrans-63.3-46.5176.7171.10000110.5F89 F117 G118 L119 E123 N124 L125F89-V121 HydrophobicContact CE1-CG1 4.28Å; F117-V121 HydrophobicContact CD1-CG2 4.46Å; F117-V121 HydrophobicContact CD2-CG2 4.38Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.89Å; F117-V121 HydrophobicContact CZ-CG2 3.65Å; F117-V121 WeakPolarHBondContact O-CG2 3.44Å; F117-V121 PolarHBondContact O-N 3.45Å; G118-V121 PolarHBondContact O-N 2.98Å; L119-V121 PolarHBondContact O-N 3.36Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.41Å; V121-N124 PolarHBondContact O-N 3.46Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG1-CG 4.47Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 3.47Å
122V98.6Very high97.2Very high60 Ų6040.8 Ų40.836%0.36421%0.209SC..Hα-helixtrans-62.5-41.5177.2172.10000111.3G118 L119 N124 L125 A126 V148G118-V122 WeakPolarHBondContact O-CG2 3.42Å; G118-V122 PolarHBondContact O-N 3.04Å; L119-V122 PolarHBondContact O-N 3.3Å; V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 PolarHBondContact O-N 3.17Å; V122-L125 PolarHBondContact O-N 3.01Å; V122-A126 VanDerWaalsContact O-CB 3.23Å; V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.38Å; V122-V148 HydrophobicContact CG1-CG1 3.48Å; V122-V148 VanDerWaalsContact CG1-CG1 3.48Å
123E98.3Very high97.1Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-55.9-47.1174.7-179.7-169.9157.900111R88 L119 N120 V121 A126 L127 F149 S152 H156 N227 H231R88-E123 IonicContact CZ-OE1 2.67Å; R88-E123 IonicContact NH2-OE1 3.06Å; R88-E123 PolarHBondContact NH2-OE1 3.08Å; R88-E123 IonicContact NH2-OE2 2.8Å; L119-E123 VanDerWaalsContact O-CB 3.3Å; L119-E123 WeakPolarHBondContact O-CB 3.32Å; L119-E123 PolarHBondContact O-N 3.46Å; N120-E123 PolarHBondContact O-N 3.41Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.41Å; E123-A126 PolarHBondContact O-N 2.87Å; E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 PolarHBondContact O-N 3.13Å; E123-F149 HydrophobicContact CG-CD2 3.95Å; E123-F149 HydrophobicContact CG-CE2 3.77Å; E123-F149 WeakPolarHBondContact O-CD2 3.35Å; E123-S152 WeakPolarHBondContact CA-OG 3.39Å; E123-S152 PolarHBondContact N-OG 2.84Å; E123-H156 IonicContact OE2-CG 3.17Å; E123-N227 PolarHBondContact OE1-ND2 2.88Å; E123-H231 IonicContact OE1-CD2 3.63Å; E123-H231 IonicContact OE1-CE1 3.84Å; E123-H231 IonicContact OE1-NE2 3.73Å; E123-H231 PolarHBondContact OE1-NE2 3.37Å; E123-H231 IonicContact OE2-CE1 2.8Å; E123-H231 IonicContact OE2-NE2 3.96Å
124N97.9Very high96.8Very high3 Ų340.8 Ų40.82%0.01621%0.21CC..Hα-helixtrans-68.4-40.9179.7-75-62.2000113.3R88 F89 N120 V121 V122 L127 L128R88-N124 WeakPolarHBondContact CB-OD1 3.37Å; R88-N124 VanDerWaalsContact CZ-OD1 3.23Å; R88-N124 PolarHBondContact NE-OD1 2.93Å; R88-N124 PolarHBondContact NH2-OD1 2.84Å; F89-N124 HydrophobicContact CD1-CB 4.28Å; F89-N124 HydrophobicContact CE1-CB 3.6Å; F89-N124 HydrophobicContact CE2-CB 4.15Å; F89-N124 HydrophobicContact CZ-CB 3.53Å; N120-N124 PolarHBondContact O-N 3.3Å; N120-N124 VanDerWaalsContact O-N 3.07Å; N120-N124 PolarHBondContact O-ND2 2.84Å; N120-N124 PolarHBondContact OD1-ND2 3.42Å; V121-N124 PolarHBondContact O-N 3.46Å; V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 PolarHBondContact O-N 3.17Å; N124-L127 PolarHBondContact O-N 3.29Å; N124-L128 WeakPolarHBondContact O-CG 3.36Å; N124-L128 PolarHBondContact O-N 3.42Å
125L98.3Very high96.3Very high91 Ų9135.4 Ų35.448%0.47620%0.196SC..Hα-helixtrans-64.5-44.1175.7-69.5171.6000111.1F89 V121 V122 L127 L128 V129F89-L125 HydrophobicContact CZ-CD2 4.04Å; F89-L125 HydrophobicContact CZ-CG 4.24Å; V121-L125 HydrophobicContact CG1-CD1 3.95Å; V121-L125 HydrophobicContact CG1-CG 4.47Å; V121-L125 WeakPolarHBondContact O-CG 3.3Å; V121-L125 PolarHBondContact O-N 3.47Å; V122-L125 PolarHBondContact O-N 3.01Å; L125-L127 PolarHBondContact O-N 3.22Å; L125-L128 WeakPolarHBondContact O-CB 3.24Å; L125-L128 PolarHBondContact O-N 2.89Å; L125-V129 WeakPolarHBondContact O-CG2 3.5Å; L125-V129 PolarHBondContact O-N 3.1Å
126A98.2Very high95.6Very high7 Ų735 Ų356%0.05820%0.201CC..Hα-helixtrans-63.8-40177.400000111.9V122 E123 L128 V129 L130 V148 F149V122-A126 VanDerWaalsContact O-CB 3.23Å; V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.38Å; E123-A126 PolarHBondContact O-N 2.87Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 2.54Å; A126-V129 PolarHBondContact O-N 2.86Å; A126-L130 VanDerWaalsContact O-CB 3.23Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 PolarHBondContact O-N 3.43Å; A126-V148 HydrophobicContact CB-CB 4.21Å; A126-V148 HydrophobicContact CB-CG1 3.86Å; A126-F149 HydrophobicContact CB-CB 3.82Å
127L97.3Very high95.1Very high21 Ų2140 Ų4011%0.1122%0.224CC..Hα-helixtrans-62.2-39174.2-179.660.6000112.4I81 E123 N124 L125 T131 F149I81-L127 HydrophobicContact CG2-CG 4.36Å; E123-L127 WeakPolarHBondContact O-CB 3.24Å; E123-L127 PolarHBondContact O-N 3.13Å; N124-L127 PolarHBondContact O-N 3.29Å; L125-L127 PolarHBondContact O-N 3.22Å; L127-T131 VanDerWaalsContact O-CB 3.32Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.23Å; L127-T131 PolarHBondContact O-OG1 3.37Å; L127-F149 HydrophobicContact CB-CD2 3.87Å; L127-F149 HydrophobicContact CB-CE2 3.92Å; L127-F149 HydrophobicContact CD1-CD2 4.48Å; L127-F149 HydrophobicContact CD1-CE2 4.1Å; L127-F149 HydrophobicContact CD1-CZ 4.41Å; L127-F149 HydrophobicContact CD2-CE2 4.39Å; L127-F149 HydrophobicContact CG-CE2 4.36Å
128L97.4Very high94.8Very high37 Ų3740.7 Ų40.719%0.19423%0.23CC..Hα-helixtrans-63.8-49.2174-76168.5000110.8I81 F89 N124 L125 A126 L130 T131 Y132I81-L128 HydrophobicContact CG2-CD2 4.27Å; F89-L128 HydrophobicContact CE2-CD1 4.15Å; F89-L128 HydrophobicContact CZ-CD1 4.43Å; N124-L128 WeakPolarHBondContact O-CG 3.36Å; N124-L128 PolarHBondContact O-N 3.42Å; L125-L128 WeakPolarHBondContact O-CB 3.24Å; L125-L128 PolarHBondContact O-N 2.89Å; A126-L128 VanDerWaalsContact C-N 3.33Å; A126-L128 PolarHBondContact O-N 2.54Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 3.37Å; L128-T131 PolarHBondContact O-N 3.05Å; L128-T131 VanDerWaalsContact O-N 3.1Å; L128-Y132 HydrophobicContact CD2-CD2 4.4Å; L128-Y132 HydrophobicContact CD2-CE2 3.94Å; L128-Y132 VanDerWaalsContact O-CD2 3.28Å; L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 2.9Å
129V96.9Very high94.4Very high63 Ų6344.7 Ų44.738%0.38224%0.24SC..Hα-helixtrans-58.5-46.9176.8177.30000110.7L125 A126 T131 Y132 V133 I141 A145L125-V129 WeakPolarHBondContact O-CG2 3.5Å; L125-V129 PolarHBondContact O-N 3.1Å; A126-V129 PolarHBondContact O-N 2.86Å; V129-T131 PolarHBondContact O-N 3.16Å; V129-Y132 PolarHBondContact O-N 2.8Å; V129-V133 HydrophobicContact CG1-CG2 4.18Å; V129-V133 WeakPolarHBondContact O-CB 3.4Å; V129-V133 PolarHBondContact O-N 2.84Å; V129-I141 HydrophobicContact CG1-CG2 3.95Å; V129-A145 HydrophobicContact CB-CB 4.06Å; V129-A145 HydrophobicContact CG1-CB 3.67Å
130L94.9Very high94.2Very high17 Ų1747 Ų479%0.08926%0.255CS..Hα-helixtrans-59-29178.1-17266.4000113A126 L128 H142 A145 F146 F149A126-L130 VanDerWaalsContact O-CB 3.23Å; A126-L130 WeakPolarHBondContact O-CB 3.26Å; A126-L130 PolarHBondContact O-N 3.43Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 3.37Å; L130-H142 WeakPolarHBondContact CD1-CE1 3.19Å; L130-A145 HydrophobicContact CB-CB 4.31Å; L130-A145 HydrophobicContact CD1-CB 4.46Å; L130-F146 HydrophobicContact CD1-CB 3.85Å; L130-F146 HydrophobicContact CD2-CD2 4.34Å; L130-F149 HydrophobicContact CD2-CD1 4.48Å
131T95.3Very high94Very high8 Ų850.6 Ų50.65%0.04927%0.273CS..Hα-helixtrans-84.9-39.3179.8-64.40000112.9W77 R78 I81 L127 L128 V129W77-T131 VanDerWaalsContact CD1-CG2 3.42Å; W77-T131 PolarHBondContact NE1-OG1 3.39Å; W77-T131 VanDerWaalsContact NE1-OG1 3.16Å; R78-T131 HydrophobicContact CB-CG2 4.3Å; R78-T131 HydrophobicContact CG-CG2 3.8Å; R78-T131 PolarHBondContact NE-O 3.46Å; I81-T131 HydrophobicContact CB-CG2 3.75Å; I81-T131 HydrophobicContact CG1-CG2 3.96Å; I81-T131 HydrophobicContact CG2-CG2 3.93Å; L127-T131 VanDerWaalsContact O-CB 3.32Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.23Å; L127-T131 PolarHBondContact O-OG1 3.37Å; L128-T131 PolarHBondContact O-N 3.05Å; L128-T131 VanDerWaalsContact O-N 3.1Å; V129-T131 PolarHBondContact O-N 3.16Å
132Y94.6Very high93.9Very high113 Ų11349.4 Ų49.444%0.44327%0.266SS..Hα-helixtrans-88.2-23.8-176.6-76.6-79.3000113.2R78 L128 V129R78-Y132 HydrophobicContact CB-CE1 4.26Å; R78-Y132 HydrophobicContact CG-CD1 4.33Å; R78-Y132 HydrophobicContact CG-CE1 4.3Å; R78-Y132 PolarHBondContact NH2-O 3.19Å; R78-Y132 PolarHBondContact O-OH 3.16Å; L128-Y132 HydrophobicContact CD2-CD2 4.4Å; L128-Y132 HydrophobicContact CD2-CE2 3.94Å; L128-Y132 VanDerWaalsContact O-CD2 3.28Å; L128-Y132 WeakPolarHBondContact O-CD2 3.5Å; L128-Y132 PolarHBondContact O-N 2.9Å; V129-Y132 PolarHBondContact O-N 2.8Å
133V93.3Very high93.7Very high35 Ų3550.7 Ų50.721%0.21227%0.268CS..SBendtrans-106.1101.6173.5-173.50000108.8V129 D138 I141 H142V129-V133 HydrophobicContact CG1-CG2 4.18Å; V129-V133 WeakPolarHBondContact O-CB 3.4Å; V129-V133 PolarHBondContact O-N 2.84Å; V133-D138 HydrophobicContact CG1-CB 3.98Å; V133-I141 HydrophobicContact CB-CG2 4.21Å; V133-I141 HydrophobicContact CG1-CB 4.03Å; V133-I141 HydrophobicContact CG1-CG2 3.86Å; V133-I141 HydrophobicContact CG2-CG2 4.12Å; V133-H142 PolarHBondContact O-ND1 3.1Å
134S88.3Confident93.6Very high4 Ų454.8 Ų54.83%0.02829%0.29CS..  trans-69.6151176.7-179.40000111G68 S136 E137 D138G68-S134 VanDerWaalsContact CA-OG 3.29Å; G68-S134 WeakPolarHBondContact CA-OG 3.22Å; G68-S134 PolarHBondContact O-OG 3.01Å; S134-S136 PolarHBondContact O-N 3.1Å; S134-S136 PolarHBondContact OG-N 3.46Å; S134-S136 PolarHBondContact OG-OG 3.35Å; S134-E137 WeakPolarHBondContact CB-OE2 3.38Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.34Å; S134-D138 PolarHBondContact O-N 2.91Å; S134-D138 VanDerWaalsContact O-N 3.11Å
135S86.6Confident93.6Very high40 Ų4055 Ų5528%0.2829%0.292SS..THydrogen-bonded Turntrans-59.3-25.2171.956.60000113.1H142S135-H142 PolarHBondContact N-ND1 3.07Å
136S82.5Confident93.5Very high84 Ų8453.6 Ų53.659%0.58728%0.282SS*.THydrogen-bonded Turntrans-80.5-20.317563.40000113.8S134S134-S136 PolarHBondContact O-N 3.1Å; S134-S136 PolarHBondContact OG-N 3.46Å; S134-S136 PolarHBondContact OG-OG 3.35Å
137E87.3Confident93.4Very high108 Ų10857.6 Ų57.651%0.50530%0.302SS..THydrogen-bonded Turntrans-88.1-52.8180-70.6167.2153.700110.3R78 S134R78-E137 IonicContact NH2-OE1 3.98Å; R78-E137 PolarHBondContact NH2-OE1 2.99Å; R78-E137 VanDerWaalsContact NH2-OE1 3.17Å; R78-E137 IonicContact NH2-OE2 2.69Å; R78-E137 PolarHBondContact NH2-OE2 3.19Å; S134-E137 WeakPolarHBondContact CB-OE2 3.38Å; S134-E137 PolarHBondContact N-OE2 3.4Å; S134-E137 PolarHBondContact O-N 3.34Å
138D91.3Very high93.5Very high62 Ų6259.8 Ų59.833%0.33232%0.316SS..  trans-149101.7174.6-171.4-42.2000109.5V133 S134 T140 I141 H142V133-D138 HydrophobicContact CG1-CB 3.98Å; S134-D138 PolarHBondContact O-N 2.91Å; S134-D138 VanDerWaalsContact O-N 3.11Å; D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.04Å; D138-T140 PolarHBondContact OD1-N 3.37Å; D138-I141 HydrophobicContact CB-CB 4.23Å; D138-I141 HydrophobicContact CB-CD1 4.28Å; D138-I141 HydrophobicContact CB-CG1 4.39Å; D138-I141 PolarHBondContact OD1-N 2.98Å; D138-I141 VanDerWaalsContact OD2-CD1 3.29Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.41Å; D138-H142 VanDerWaalsContact O-CB 3.27Å; D138-H142 WeakPolarHBondContact O-CB 3.23Å; D138-H142 PolarHBondContact O-N 3.48Å
139F90Very high93.5Very high113 Ų11358.9 Ų58.950%0.49631%0.31SS..Hα-helixtrans-61.9-39.2-178.4-178.9-96.4000112.3H142 E143F139-H142 PolarHBondContact O-N 2.79Å; F139-E143 HydrophobicContact CE1-CB 4.32Å; F139-E143 WeakPolarHBondContact CE1-OE2 3.31Å; F139-E143 VanDerWaalsContact O-CB 3.28Å; F139-E143 WeakPolarHBondContact O-CB 3.26Å; F139-E143 PolarHBondContact O-N 3.04Å
140T94.6Very high93.6Very high85 Ų8556.1 Ų56.152%0.52129%0.293SS..Hα-helixtrans-68.8-43.4-175.8-60.20000111.4D138 N144D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.04Å; D138-T140 PolarHBondContact OD1-N 3.37Å; T140-N144 WeakPolarHBondContact O-CB 3.26Å; T140-N144 VanDerWaalsContact O-CG 3.31Å; T140-N144 PolarHBondContact O-N 3.08Å; T140-N144 VanDerWaalsContact O-N 3.1Å; T140-N144 PolarHBondContact O-ND2 2.97Å
141I95.2Very high93.7Very high77 Ų7758.4 Ų58.440%0.39531%0.314SS..Hα-helixtrans-66.9-43.2175.5-65176.3000110.1V129 V133 D138 N144 A145V129-I141 HydrophobicContact CG1-CG2 3.95Å; V133-I141 HydrophobicContact CB-CG2 4.21Å; V133-I141 HydrophobicContact CG1-CB 4.03Å; V133-I141 HydrophobicContact CG1-CG2 3.86Å; V133-I141 HydrophobicContact CG2-CG2 4.12Å; D138-I141 HydrophobicContact CB-CB 4.23Å; D138-I141 HydrophobicContact CB-CD1 4.28Å; D138-I141 HydrophobicContact CB-CG1 4.39Å; D138-I141 PolarHBondContact OD1-N 2.98Å; D138-I141 VanDerWaalsContact OD2-CD1 3.29Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.41Å; I141-N144 PolarHBondContact O-N 3.39Å; I141-A145 VanDerWaalsContact O-CB 3.28Å; I141-A145 WeakPolarHBondContact O-CB 3.25Å; I141-A145 PolarHBondContact O-N 3.34Å
142H94.6Very high93.9Very high9 Ų958.2 Ų58.24%0.04231%0.313CS..Hα-helixtrans-60.4-47.8178.9-175.292.2000112.2S64 L130 V133 S135 D138 F139 A145 F146S64-H142 PolarHBondContact OG-NE2 2.94Å; S64-H142 VanDerWaalsContact OG-NE2 3.1Å; L130-H142 WeakPolarHBondContact CD1-CE1 3.19Å; V133-H142 PolarHBondContact O-ND1 3.1Å; S135-H142 PolarHBondContact N-ND1 3.07Å; D138-H142 VanDerWaalsContact O-CB 3.27Å; D138-H142 WeakPolarHBondContact O-CB 3.23Å; D138-H142 PolarHBondContact O-N 3.48Å; F139-H142 PolarHBondContact O-N 2.79Å; H142-A145 PolarHBondContact O-N 3.17Å; H142-F146 WeakPolarHBondContact O-CB 3.23Å; H142-F146 PolarHBondContact O-N 3.42Å
143E94.6Very high94.1Very high87 Ų8752.9 Ų52.941%0.40729%0.292SS..Hα-helixtrans-61.8-47178.1-179.1179.3-152.900111.6F139 A145 F146 I147F139-E143 HydrophobicContact CE1-CB 4.32Å; F139-E143 WeakPolarHBondContact CE1-OE2 3.31Å; F139-E143 VanDerWaalsContact O-CB 3.28Å; F139-E143 WeakPolarHBondContact O-CB 3.26Å; F139-E143 PolarHBondContact O-N 3.04Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.8Å; E143-F146 WeakPolarHBondContact O-CB 3.31Å; E143-F146 PolarHBondContact O-N 2.89Å; E143-I147 HydrophobicContact CG-CD1 4.18Å; E143-I147 WeakPolarHBondContact O-CG1 3.33Å; E143-I147 PolarHBondContact O-N 3.37Å
144N96.3Very high94.3Very high86 Ų8652.1 Ų52.146%0.4629%0.287SS..Hα-helixtrans-62.6-40.7177.1-75.4-43.9000111.8T140 I141 F146 I147 V148T140-N144 WeakPolarHBondContact O-CB 3.26Å; T140-N144 VanDerWaalsContact O-CG 3.31Å; T140-N144 PolarHBondContact O-N 3.08Å; T140-N144 VanDerWaalsContact O-N 3.1Å; T140-N144 PolarHBondContact O-ND2 2.97Å; I141-N144 PolarHBondContact O-N 3.39Å; N144-F146 VanDerWaalsContact C-N 3.33Å; N144-F146 PolarHBondContact O-N 2.85Å; N144-I147 PolarHBondContact O-N 3.04Å; N144-V148 VanDerWaalsContact O-CG2 3.29Å; N144-V148 WeakPolarHBondContact O-CG2 3.3Å; N144-V148 PolarHBondContact O-N 3.1Å
145A97.2Very high94.8Very high7 Ų752.9 Ų52.96%0.05830%0.295CS..Hα-helixtrans-63-39.9175.200000111.8V129 L130 I141 H142 E143 V148 F149V129-A145 HydrophobicContact CB-CB 4.06Å; V129-A145 HydrophobicContact CG1-CB 3.67Å; L130-A145 HydrophobicContact CB-CB 4.31Å; L130-A145 HydrophobicContact CD1-CB 4.46Å; I141-A145 VanDerWaalsContact O-CB 3.28Å; I141-A145 WeakPolarHBondContact O-CB 3.25Å; I141-A145 PolarHBondContact O-N 3.34Å; H142-A145 PolarHBondContact O-N 3.17Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.8Å; A145-V148 PolarHBondContact O-N 3.46Å; A145-F149 VanDerWaalsContact O-CB 3.25Å; A145-F149 WeakPolarHBondContact O-CB 3.21Å; A145-F149 PolarHBondContact O-N 3.45Å
146F96.3Very high95.4Very high62 Ų6251.1 Ų51.127%0.27228%0.283SS..Hα-helixtrans-61.4-47.3174.3175.3-99.7000111.8L130 H142 E143 N144 V148 F149 I150 F194L130-F146 HydrophobicContact CD1-CB 3.85Å; L130-F146 HydrophobicContact CD2-CD2 4.34Å; H142-F146 WeakPolarHBondContact O-CB 3.23Å; H142-F146 PolarHBondContact O-N 3.42Å; E143-F146 WeakPolarHBondContact O-CB 3.31Å; E143-F146 PolarHBondContact O-N 2.89Å; N144-F146 VanDerWaalsContact C-N 3.33Å; N144-F146 PolarHBondContact O-N 2.85Å; F146-V148 PolarHBondContact O-N 3.18Å; F146-F149 WeakPolarHBondContact O-CB 3.29Å; F146-F149 PolarHBondContact O-N 3.2Å; F146-I150 HydrophobicContact CD1-CG1 4.49Å; F146-I150 HydrophobicContact CD2-CG1 4.33Å; F146-I150 HydrophobicContact CE1-CG1 4.08Å; F146-I150 HydrophobicContact CE2-CD1 4.15Å; F146-I150 HydrophobicContact CE2-CG1 3.9Å; F146-I150 HydrophobicContact CZ-CD1 4.21Å; F146-I150 HydrophobicContact CZ-CG1 3.77Å; F146-I150 WeakPolarHBondContact O-CG1 3.33Å; F146-I150 PolarHBondContact O-N 3.17Å; F146-F194 HydrophobicContact CE1-CE2 4.35Å; F146-F194 HydrophobicContact CZ-CE2 4.34Å
147I97.4Very high96.1Very high92 Ų9247.1 Ų47.147%0.47226%0.255SS..Hα-helixtrans-59.6-48177.8-67.2166.6000110.6E143 N144 F149 I150 A151E143-I147 HydrophobicContact CG-CD1 4.18Å; E143-I147 WeakPolarHBondContact O-CG1 3.33Å; E143-I147 PolarHBondContact O-N 3.37Å; N144-I147 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact C-N 3.34Å; I147-F149 PolarHBondContact O-N 2.78Å; I147-I150 PolarHBondContact O-N 2.8Å; I147-A151 VanDerWaalsContact O-CB 3.3Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 2.91Å
148V98.4Very high96.6Very high67 Ų6745.7 Ų45.741%0.40625%0.25SS..Hα-helixtrans-62.5-42.7178.5174.80000110.8V122 A126 N144 A145 F146 S152V122-V148 HydrophobicContact CG1-CG1 3.48Å; V122-V148 VanDerWaalsContact CG1-CG1 3.48Å; A126-V148 HydrophobicContact CB-CB 4.21Å; A126-V148 HydrophobicContact CB-CG1 3.86Å; N144-V148 VanDerWaalsContact O-CG2 3.29Å; N144-V148 WeakPolarHBondContact O-CG2 3.3Å; N144-V148 PolarHBondContact O-N 3.1Å; A145-V148 PolarHBondContact O-N 3.46Å; F146-V148 PolarHBondContact O-N 3.18Å; V148-S152 VanDerWaalsContact O-CB 3.26Å; V148-S152 WeakPolarHBondContact O-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.4Å; V148-S152 PolarHBondContact O-OG 3.26Å
149F98.3Very high96.9Very high17 Ų1743.6 Ų43.68%0.07524%0.239CC..Hα-helixtrans-58.8-51.2176.9171.2-104.4000111.6E123 A126 L127 L130 A145 F146 I147 S152 S153E123-F149 HydrophobicContact CG-CD2 3.95Å; E123-F149 HydrophobicContact CG-CE2 3.77Å; E123-F149 WeakPolarHBondContact O-CD2 3.35Å; A126-F149 HydrophobicContact CB-CB 3.82Å; L127-F149 HydrophobicContact CB-CD2 3.87Å; L127-F149 HydrophobicContact CB-CE2 3.92Å; L127-F149 HydrophobicContact CD1-CD2 4.48Å; L127-F149 HydrophobicContact CD1-CE2 4.1Å; L127-F149 HydrophobicContact CD1-CZ 4.41Å; L127-F149 HydrophobicContact CD2-CE2 4.39Å; L127-F149 HydrophobicContact CG-CE2 4.36Å; L130-F149 HydrophobicContact CD2-CD1 4.48Å; A145-F149 VanDerWaalsContact O-CB 3.25Å; A145-F149 WeakPolarHBondContact O-CB 3.21Å; A145-F149 PolarHBondContact O-N 3.45Å; F146-F149 WeakPolarHBondContact O-CB 3.29Å; F146-F149 PolarHBondContact O-N 3.2Å; I147-F149 VanDerWaalsContact C-N 3.34Å; I147-F149 PolarHBondContact O-N 2.78Å; F149-S152 PolarHBondContact O-OG 2.82Å; F149-S152 VanDerWaalsContact O-OG 3.08Å; F149-S153 WeakPolarHBondContact O-CB 3.24Å; F149-S153 PolarHBondContact O-N 3.3Å
150I98.1Very high97.2Very high6 Ų638.3 Ų38.33%0.03122%0.216CC..Hα-helixtrans-64.9-47.5-179.3-65.9-64.7000111.4F146 I147 S152 S153 L154 F194 V223F146-I150 HydrophobicContact CD1-CG1 4.49Å; F146-I150 HydrophobicContact CD2-CG1 4.33Å; F146-I150 HydrophobicContact CE1-CG1 4.08Å; F146-I150 HydrophobicContact CE2-CD1 4.15Å; F146-I150 HydrophobicContact CE2-CG1 3.9Å; F146-I150 HydrophobicContact CZ-CD1 4.21Å; F146-I150 HydrophobicContact CZ-CG1 3.77Å; F146-I150 WeakPolarHBondContact O-CG1 3.33Å; F146-I150 PolarHBondContact O-N 3.17Å; I147-I150 PolarHBondContact O-N 2.8Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.06Å; I150-S153 PolarHBondContact O-N 2.93Å; I150-L154 HydrophobicContact CG2-CD1 3.71Å; I150-L154 HydrophobicContact CG2-CG 4.22Å; I150-L154 WeakPolarHBondContact O-CB 3.34Å; I150-L154 WeakPolarHBondContact O-CG 3.2Å; I150-L154 PolarHBondContact O-N 3.08Å; I150-F194 HydrophobicContact CB-CE2 4.27Å; I150-F194 HydrophobicContact CB-CZ 4.49Å; I150-F194 HydrophobicContact CD1-CD2 4.2Å; I150-F194 HydrophobicContact CD1-CE2 4.4Å; I150-F194 HydrophobicContact CG1-CD2 4.3Å; I150-F194 HydrophobicContact CG1-CE2 4Å; I150-F194 HydrophobicContact CG2-CD1 4.05Å; I150-F194 HydrophobicContact CG2-CD2 3.78Å; I150-F194 HydrophobicContact CG2-CE1 3.85Å; I150-F194 HydrophobicContact CG2-CE2 3.59Å; I150-F194 HydrophobicContact CG2-CG 4.01Å; I150-F194 HydrophobicContact CG2-CZ 3.62Å; I150-V223 HydrophobicContact CD1-CG1 3.94Å
151A98.4Very high97.2Very high64 Ų6434.9 Ų34.953%0.52920%0.195SC..Hα-helixtrans-61.1-44.7-178.500000111.6I147 G155I147-A151 VanDerWaalsContact O-CB 3.3Å; I147-A151 WeakPolarHBondContact O-CB 3.21Å; I147-A151 PolarHBondContact O-N 2.91Å; A151-G155 PolarHBondContact O-N 2.64Å
152S98.6Very high97.1Very high4 Ų434.2 Ų34.23%0.02819%0.192CC..Hα-helixtrans-69.1-41.8177.858.50000112.7E123 V148 F149 I150 G155 H156E123-S152 WeakPolarHBondContact CA-OG 3.39Å; E123-S152 PolarHBondContact N-OG 2.84Å; V148-S152 VanDerWaalsContact O-CB 3.26Å; V148-S152 WeakPolarHBondContact O-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.4Å; V148-S152 PolarHBondContact O-OG 3.26Å; F149-S152 PolarHBondContact O-OG 2.82Å; F149-S152 VanDerWaalsContact O-OG 3.08Å; I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 3.06Å; S152-G155 PolarHBondContact O-N 2.83Å; S152-H156 VanDerWaalsContact O-CB 3.24Å; S152-H156 WeakPolarHBondContact O-CB 3.24Å; S152-H156 PolarHBondContact O-N 2.87Å
153S98.3Very high97Very high1 Ų133.8 Ų33.81%0.00719%0.19CC..Hα-helixtrans-59.6-53.5174.9168.20000112F149 I150 G155 H156 M157 N227F149-S153 WeakPolarHBondContact O-CB 3.24Å; F149-S153 PolarHBondContact O-N 3.3Å; I150-S153 PolarHBondContact O-N 2.93Å; S153-G155 VanDerWaalsContact C-N 3.33Å; S153-G155 PolarHBondContact O-N 3.49Å; S153-H156 WeakPolarHBondContact O-CB 3.28Å; S153-H156 PolarHBondContact O-N 2.83Å; S153-M157 VanDerWaalsContact O-CG 3.26Å; S153-M157 WeakPolarHBondContact O-CG 3.31Å; S153-M157 PolarHBondContact O-N 3.33Å; S153-N227 PolarHBondContact OG-ND2 3.44Å
154L98.4Very high96.7Very high20 Ų2030.2 Ų30.211%0.10517%0.172CC..Hα-helixtrans-62.7-42.2-180-73.6176.2000111.5I150 M157 L158 F187 N190 F191 F194I150-L154 HydrophobicContact CG2-CD1 3.71Å; I150-L154 HydrophobicContact CG2-CG 4.22Å; I150-L154 WeakPolarHBondContact O-CB 3.34Å; I150-L154 WeakPolarHBondContact O-CG 3.2Å; I150-L154 PolarHBondContact O-N 3.08Å; L154-M157 PolarHBondContact O-N 3.44Å; L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å; L154-F187 HydrophobicContact CD2-CE2 4.4Å; L154-N190 WeakPolarHBondContact CD2-OD1 3.45Å; L154-F191 HydrophobicContact CD2-CB 4.32Å; L154-F191 HydrophobicContact CD2-CD2 4.36Å; L154-F194 HydrophobicContact CD1-CD1 3.97Å; L154-F194 HydrophobicContact CD1-CG 4.45Å
155G98.4Very high96.4Very high19 Ų1934.7 Ų34.720%0.19618%0.183CC..Hα-helixtrans-61.2-44.6175.100000112.2L119 A151 S152 S153 L158 L159L119-G155 VanDerWaalsContact CD1-C 3.46Å; A151-G155 PolarHBondContact O-N 2.64Å; S152-G155 PolarHBondContact O-N 2.83Å; S153-G155 VanDerWaalsContact C-N 3.33Å; S153-G155 PolarHBondContact O-N 3.49Å; G155-L158 PolarHBondContact O-N 3.28Å; G155-L159 WeakPolarHBondContact O-CB 3.29Å; G155-L159 WeakPolarHBondContact O-CG 3.36Å; G155-L159 PolarHBondContact O-N 2.85Å
156H98.4Very high96Very high3 Ų337.4 Ų37.41%0.01420%0.196CC..Hα-helixtrans-60.5-48.1174.8171.3-82.8000111.9N116 L119 N120 E123 S152 S153 L158 L159 T160 F230 H231N116-H156 PolarHBondContact ND2-NE2 2.94Å; N116-H156 PolarHBondContact O-CD2 3.4Å; N116-H156 PolarHBondContact OD1-O 3.47Å; N116-H156 VanDerWaalsContact OD1-O 3.04Å; L119-H156 HydrophobicContact CB-CB 4.07Å; N120-H156 VanDerWaalsContact CB-CD2 3.44Å; N120-H156 WeakPolarHBondContact CB-CD2 3.48Å; N120-H156 PolarHBondContact ND2-NE2 3.33Å; E123-H156 IonicContact OE2-CG 3.17Å; S152-H156 VanDerWaalsContact O-CB 3.24Å; S152-H156 WeakPolarHBondContact O-CB 3.24Å; S152-H156 PolarHBondContact O-N 2.87Å; S153-H156 WeakPolarHBondContact O-CB 3.28Å; S153-H156 PolarHBondContact O-N 2.83Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.12Å; H156-L159 PolarHBondContact O-N 3.46Å; H156-T160 PolarHBondContact CE1-OG1 2.92Å; H156-T160 VanDerWaalsContact O-CB 3.24Å; H156-T160 WeakPolarHBondContact O-CB 3.47Å; H156-T160 PolarHBondContact O-N 3.36Å; H156-T160 PolarHBondContact O-OG1 2.07Å; H156-F230 AromaticContact CE1-CE1 3.88Å; H156-F230 AromaticContact ND1-CE1 3.94Å; H156-H231 AromaticContact CE1-CE1 3.98Å
157M98.4Very high95.2Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-61.4-43.6-180-68.5172.39300111.5S153 L154 C161 F187 N190 F230S153-M157 VanDerWaalsContact O-CG 3.26Å; S153-M157 WeakPolarHBondContact O-CG 3.31Å; S153-M157 PolarHBondContact O-N 3.33Å; L154-M157 PolarHBondContact O-N 3.44Å; M157-C161 PolarHBondContact O-N 3.29Å; M157-C161 VanDerWaalsContact O-N 3.07Å; M157-C161 PolarHBondContact O-SG 2.64Å; M157-F187 HydrophobicContact CB-CB 4.3Å; M157-F187 HydrophobicContact CB-CD2 3.6Å; M157-F187 HydrophobicContact CB-CE2 4.41Å; M157-F187 HydrophobicContact CB-CG 4.31Å; M157-F187 HydrophobicContact CE-CB 4.35Å; M157-N190 HydrophobicContact CE-CB 3.92Å; M157-N190 HydrophobicContact SD-CB 4.27Å; M157-F230 HydrophobicContact CB-CD2 4.43Å; M157-F230 HydrophobicContact CB-CE1 4.39Å; M157-F230 HydrophobicContact CB-CE2 3.96Å; M157-F230 HydrophobicContact CB-CZ 3.95Å; M157-F230 HydrophobicContact CE-CB 3.63Å; M157-F230 HydrophobicContact CE-CD1 4.42Å; M157-F230 HydrophobicContact CE-CD2 3.37Å; M157-F230 HydrophobicContact CE-CE2 4.1Å; M157-F230 HydrophobicContact CE-CG 3.56Å; M157-F230 HydrophobicContact CG-CD1 3.93Å; M157-F230 HydrophobicContact CG-CD2 4Å; M157-F230 HydrophobicContact CG-CE1 3.93Å; M157-F230 HydrophobicContact CG-CE2 3.96Å; M157-F230 HydrophobicContact CG-CG 3.98Å; M157-F230 HydrophobicContact CG-CZ 3.95Å
158L98.1Very high93.8Very high78 Ų7837.8 Ų37.841%0.40820%0.195SC..Hα-helixtrans-63.6-51.2176.8176.860.6000111.6L154 G155 H156 T160 C161 I162 F187L154-L158 WeakPolarHBondContact O-CB 3.34Å; L154-L158 PolarHBondContact O-N 2.84Å; G155-L158 PolarHBondContact O-N 3.28Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.12Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.97Å; L158-C161 WeakPolarHBondContact O-CB 3.42Å; L158-C161 PolarHBondContact O-N 3.04Å; L158-C161 VanDerWaalsContact O-N 3.1Å; L158-I162 HydrophobicContact CD1-CD1 4.09Å; L158-I162 HydrophobicContact CD1-CG1 4.44Å; L158-I162 HydrophobicContact CG-CD1 3.98Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.47Å; L158-F187 HydrophobicContact CB-CE2 3.88Å; L158-F187 HydrophobicContact CB-CZ 3.88Å; L158-F187 HydrophobicContact CD1-CE1 3.95Å; L158-F187 HydrophobicContact CD1-CZ 3.86Å; L158-F187 HydrophobicContact CG-CZ 4.33Å
159L96.8Very high91.7Very high19 Ų1943.7 Ų43.710%0.09922%0.215CC..Hα-helixtrans-62.5-38.3179.7-75.1-172.9000111.7L112 L115 N116 L119 G155 H156 C161 I162 L163L112-L159 HydrophobicContact CD2-CD2 3.9Å; L115-L159 HydrophobicContact CB-CD1 4.02Å; L115-L159 HydrophobicContact CD2-CD1 3.65Å; L115-L159 HydrophobicContact CG-CD1 3.57Å; N116-L159 HydrophobicContact CB-CB 4.08Å; N116-L159 HydrophobicContact CB-CD1 4.22Å; N116-L159 VanDerWaalsContact OD1-CB 3.26Å; N116-L159 WeakPolarHBondContact OD1-CB 3.17Å; L119-L159 HydrophobicContact CD1-CD1 3.64Å; L119-L159 HydrophobicContact CD1-CG 4.41Å; G155-L159 WeakPolarHBondContact O-CB 3.29Å; G155-L159 WeakPolarHBondContact O-CG 3.36Å; G155-L159 PolarHBondContact O-N 2.85Å; H156-L159 PolarHBondContact O-N 3.46Å; L159-C161 VanDerWaalsContact C-N 3.34Å; L159-C161 PolarHBondContact O-N 3.18Å; L159-I162 HydrophobicContact CD2-CD1 4.33Å; L159-I162 PolarHBondContact O-N 3.03Å; L159-L163 WeakPolarHBondContact O-CB 3.33Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.42Å
160T95.4Very high89.7Confident2 Ų247.7 Ų47.71%0.01223%0.234CC..Hα-helixtrans-58.1-47.5172.3-67.30000110.6N116 H156 L158 I162 L163 W164 K183 F230N116-T160 PolarHBondContact OD1-N 2.95Å; N116-T160 PolarHBondContact OD1-OG1 3.11Å; N116-T160 VanDerWaalsContact OD1-OG1 3.1Å; H156-T160 PolarHBondContact CE1-OG1 2.92Å; H156-T160 VanDerWaalsContact O-CB 3.24Å; H156-T160 WeakPolarHBondContact O-CB 3.47Å; H156-T160 PolarHBondContact O-N 3.36Å; H156-T160 PolarHBondContact O-OG1 2.07Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.97Å; T160-I162 VanDerWaalsContact C-N 3.3Å; T160-I162 PolarHBondContact O-N 3.25Å; T160-L163 PolarHBondContact O-N 3.42Å; T160-W164 WeakPolarHBondContact O-CB 3.38Å; T160-W164 PolarHBondContact O-N 3.18Å; T160-K183 HydrophobicContact CG2-CD 3.83Å; T160-F230 HydrophobicContact CG2-CE1 4.25Å; T160-F230 HydrophobicContact CG2-CZ 3.76Å
161C94.8Very high87.9Confident12 Ų1248.9 Ų48.98%0.08124%0.242CC..Hα-helixtrans-61.5-37177-67.60000113M157 L158 L159 R165M157-C161 PolarHBondContact O-N 3.29Å; M157-C161 VanDerWaalsContact O-N 3.07Å; M157-C161 PolarHBondContact O-SG 2.64Å; L158-C161 WeakPolarHBondContact O-CB 3.42Å; L158-C161 PolarHBondContact O-N 3.04Å; L158-C161 VanDerWaalsContact O-N 3.1Å; L159-C161 VanDerWaalsContact C-N 3.34Å; L159-C161 PolarHBondContact O-N 3.18Å; C161-R165 PolarHBondContact O-N 2.96Å
162I93.8Very high86.2Confident64 Ų6452 Ų5233%0.32825%0.254SS..Hα-helixtrans-68.8-48.9176.2-67.5167.2000110.7L112 L158 L159 T160 W164 R165 L166L112-I162 HydrophobicContact CD1-CG2 4.45Å; L158-I162 HydrophobicContact CD1-CD1 4.09Å; L158-I162 HydrophobicContact CD1-CG1 4.44Å; L158-I162 HydrophobicContact CG-CD1 3.98Å; L158-I162 WeakPolarHBondContact O-CG1 3.47Å; L158-I162 PolarHBondContact O-N 3.47Å; L159-I162 HydrophobicContact CD2-CD1 4.33Å; L159-I162 PolarHBondContact O-N 3.03Å; T160-I162 VanDerWaalsContact C-N 3.3Å; T160-I162 PolarHBondContact O-N 3.25Å; I162-W164 VanDerWaalsContact C-N 3.31Å; I162-W164 PolarHBondContact O-N 3.06Å; I162-R165 WeakPolarHBondContact O-CA 3.26Å; I162-R165 WeakPolarHBondContact O-CB 3.43Å; I162-R165 PolarHBondContact O-N 2.87Å; I162-L166 HydrophobicContact CG2-CD1 4.08Å; I162-L166 HydrophobicContact CG2-CG 4.42Å; I162-L166 WeakPolarHBondContact O-CG 3.28Å; I162-L166 PolarHBondContact O-N 2.88Å
163L92.4Very high85.2Confident0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-57.7-45.1179.7-74.6172.3000111Y99 Y109 L112 N116 L159 T160 R165 L166 T167Y99-L163 HydrophobicContact CD2-CD1 4.03Å; Y99-L163 HydrophobicContact CE2-CD1 3.91Å; Y109-L163 HydrophobicContact CD2-CD2 3.79Å; Y109-L163 HydrophobicContact CE2-CD2 3.61Å; L112-L163 HydrophobicContact CB-CD2 3.78Å; N116-L163 HydrophobicContact CB-CD1 3.66Å; L159-L163 WeakPolarHBondContact O-CB 3.33Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.42Å; T160-L163 PolarHBondContact O-N 3.42Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.26Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 2.65Å; L163-L166 VanDerWaalsContact O-N 3.08Å; L163-T167 PolarHBondContact O-N 3.1Å; L163-T167 PolarHBondContact O-OG1 2.93Å; L163-T167 VanDerWaalsContact O-OG1 3.05Å
164W89.1Confident84.4Confident11 Ų1162.2 Ų62.24%0.04231%0.307CS..Hα-helixtrans-63.2-34.3175.9-82.864.3000113.2Y99 T160 I162 L166 T167 K168 T171 D176 Y180 K183 D237Y99-W164 AromaticContact CE1-NE1 3.75Å; Y99-W164 AromaticContact CZ-NE1 3.87Å; Y99-W164 PolarHBondContact OH-NE1 3.41Å; T160-W164 WeakPolarHBondContact O-CB 3.38Å; T160-W164 PolarHBondContact O-N 3.18Å; I162-W164 VanDerWaalsContact C-N 3.31Å; I162-W164 PolarHBondContact O-N 3.06Å; W164-L166 VanDerWaalsContact C-N 3.34Å; W164-T167 WeakPolarHBondContact CA-OG1 3.35Å; W164-T167 PolarHBondContact O-OG1 3.41Å; W164-K168 PolarHBondContact O-N 3.02Å; W164-T171 HydrophobicContact CE3-CG2 4.19Å; W164-T171 HydrophobicContact CZ3-CG2 4.05Å; W164-D176 HydrophobicContact CZ3-CB 4.16Å; W164-D176 WeakPolarHBondContact CZ3-O 3.46Å; W164-Y180 HydrophobicContact CB-CD2 3.5Å; W164-Y180 VanDerWaalsContact CB-CD2 3.5Å; W164-Y180 HydrophobicContact CB-CE2 3.53Å; W164-Y180 HydrophobicContact CD2-CD2 4.26Å; W164-Y180 AromaticContact CE3-CD2 3.99Å; W164-Y180 HydrophobicContact CE3-CD2 3.99Å; W164-Y180 HydrophobicContact CE3-CG 4.26Å; W164-Y180 HydrophobicContact CG-CD2 4.11Å; W164-K183 HydrophobicContact CD2-CD 4.47Å; W164-K183 VanDerWaalsContact CZ2-CE 3.49Å; W164-D237 HydrophobicContact CH2-CB 4.48Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.03Å; W164-D237 HydrophobicContact CZ2-CB 4.39Å; W164-D237 VanDerWaalsContact CZ2-CG 3.46Å; W164-D237 VanDerWaalsContact CZ2-OD2 3.22Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.29Å
165R88.8Confident83.7Confident181 Ų18165.3 Ų65.368%0.68332%0.321SS*.Hα-helixtrans-67.9-34.9172.7-170.9178.6176.4-177.90.1111.8C161 I162 L163 K168C161-R165 PolarHBondContact O-N 2.96Å; I162-R165 WeakPolarHBondContact O-CA 3.26Å; I162-R165 WeakPolarHBondContact O-CB 3.43Å; I162-R165 PolarHBondContact O-N 2.87Å; L163-R165 VanDerWaalsContact C-N 3.3Å; L163-R165 PolarHBondContact O-N 3.26Å; R165-K168 WeakPolarHBondContact O-CB 3.29Å
166L88.3Confident83Confident63 Ų6366.2 Ų66.233%0.3332%0.321SS..Hα-helixtrans-76.4-26.5179-66.3175.1000112.9Y109 L112 I162 L163 W164 K168Y109-L166 HydrophobicContact CD2-CB 4.37Å; Y109-L166 HydrophobicContact CD2-CD1 4.39Å; L112-L166 HydrophobicContact CD1-CD1 3.98Å; I162-L166 HydrophobicContact CG2-CD1 4.08Å; I162-L166 HydrophobicContact CG2-CG 4.42Å; I162-L166 WeakPolarHBondContact O-CG 3.28Å; I162-L166 PolarHBondContact O-N 2.88Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 2.65Å; L163-L166 VanDerWaalsContact O-N 3.08Å; W164-L166 VanDerWaalsContact C-N 3.34Å; L166-K168 VanDerWaalsContact C-N 3.35Å
167T81.1Confident82.5Confident11 Ų1174.4 Ų74.47%0.06735%0.352CS..THydrogen-bonded Turntrans-93.915177.452.20000113.6C102 Y109 L163 W164 K169 H170C102-T167 HydrophobicContact CB-CG2 3.95Å; Y109-T167 HydrophobicContact CE2-CG2 3.56Å; Y109-T167 VanDerWaalsContact OH-CG2 3.24Å; Y109-T167 WeakPolarHBondContact OH-CG2 3.49Å; L163-T167 PolarHBondContact O-N 3.1Å; L163-T167 PolarHBondContact O-OG1 2.93Å; L163-T167 VanDerWaalsContact O-OG1 3.05Å; W164-T167 WeakPolarHBondContact CA-OG1 3.35Å; W164-T167 PolarHBondContact O-OG1 3.41Å; T167-K169 PolarHBondContact O-N 2.84Å; T167-H170 PolarHBondContact O-N 3.21Å
168K67.1Low82.1Confident151 Ų15179.4 Ų79.466%0.65737%0.373SS*.G310 helixtrans-49.9-22.1-174-134.2-176.2-179.9-171.10115.8W164 R165 L166 H170 T171W164-K168 PolarHBondContact O-N 3.02Å; R165-K168 WeakPolarHBondContact O-CB 3.29Å; L166-K168 VanDerWaalsContact C-N 3.35Å; K168-H170 VanDerWaalsContact C-N 3.25Å; K168-H170 PolarHBondContact O-N 3.33Å; K168-T171 VanDerWaalsContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CA-OG1 3.14Å; K168-T171 PolarHBondContact O-OG1 3.08Å
169K55.5Low81.8Confident191 Ų19175.7 Ų75.783%0.8335%0.354SS*.G310 helixtrans-69.6-19.5176.9-162.7176178.7-1770113.3T167T167-K169 PolarHBondContact O-N 2.84Å
170H54.5Low81.6Confident102 Ų10276.7 Ų76.747%0.47236%0.357SS..G310 helixtrans-105.3-0.3-177.7-67.1-71000114.2T167 K168 V172T167-H170 PolarHBondContact O-N 3.21Å; K168-H170 VanDerWaalsContact C-N 3.25Å; K168-H170 PolarHBondContact O-N 3.33Å; H170-V172 VanDerWaalsContact C-N 3.28Å; H170-V172 PolarHBondContact O-N 3.31Å
171T60.4Low81.4Confident30 Ų3078.4 Ų78.418%0.18437%0.369CS..  trans-86.163.5-179.5-6.90000110.6W164 K168 D176W164-T171 HydrophobicContact CE3-CG2 4.19Å; W164-T171 HydrophobicContact CZ3-CG2 4.05Å; K168-T171 VanDerWaalsContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CA-OG1 3.14Å; K168-T171 PolarHBondContact O-OG1 3.08Å; T171-D176 HydrophobicContact CG2-CB 3.5Å
172V63.3Low81.5Confident130 Ų13082.9 Ų82.979%0.78838%0.384SS*.  trans-87.1-26.5-172.3-173.40000111.8H170H170-V172 VanDerWaalsContact C-N 3.28Å; H170-V172 PolarHBondContact O-N 3.31Å
173S77.4Confident81.6Confident51 Ų5179.9 Ų79.936%0.35737%0.369SS..SBendtrans-80.8147.9-178.1-1760000113E175 D176 R177S173-E175 PolarHBondContact O-N 2.98Å; S173-E175 PolarHBondContact OG-N 3.47Å; S173-D176 WeakPolarHBondContact CB-OD2 3.46Å; S173-D176 PolarHBondContact N-OD2 3.02Å; S173-D176 PolarHBondContact O-N 3Å; S173-R177 PolarHBondContact O-N 2.83Å
174Q82.1Confident81.8Confident169 Ų16983.7 Ų83.779%0.7939%0.386SS*.Hα-helixtrans-60.5-33.1169.7-70.1-164.33.400111.9R177 K178Q174-R177 PolarHBondContact O-N 3.23Å; Q174-K178 PolarHBondContact O-N 3.02Å
175E83.8Confident82.2Confident85 Ų8589.8 Ų89.840%0.39741%0.409SS..Hα-helixtrans-66.7-42.5178.6-62.8-170.9138.300111.6S173 R177 K178 S179 W236S173-E175 PolarHBondContact O-N 2.98Å; S173-E175 PolarHBondContact OG-N 3.47Å; E175-R177 VanDerWaalsContact C-N 3.32Å; E175-R177 PolarHBondContact O-N 3.18Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 3.35Å; E175-S179 WeakPolarHBondContact O-CB 3.34Å; E175-S179 PolarHBondContact O-N 2.97Å; E175-W236 HydrophobicContact CB-CB 4.46Å
176D84.3Confident82.6Confident37 Ų3781.8 Ų81.820%0.19838%0.38CS..Hα-helixtrans-63.3-39.7177.3-56.5-29.6000111.4W164 T171 S173 S179 Y180W164-D176 HydrophobicContact CZ3-CB 4.16Å; W164-D176 WeakPolarHBondContact CZ3-O 3.46Å; T171-D176 HydrophobicContact CG2-CB 3.5Å; S173-D176 WeakPolarHBondContact CB-OD2 3.46Å; S173-D176 PolarHBondContact N-OD2 3.02Å; S173-D176 PolarHBondContact O-N 3Å; D176-S179 PolarHBondContact O-N 3.25Å; D176-Y180 WeakPolarHBondContact O-CB 3.42Å; D176-Y180 PolarHBondContact O-N 3.37Å
177R86.5Confident83.1Confident175 Ų17580.3 Ų80.366%0.6637%0.371SS*.Hα-helixtrans-64.6-41.7176.1-69.2179.266.5-1680.5111.6S173 Q174 E175 S181S173-R177 PolarHBondContact O-N 2.83Å; Q174-R177 PolarHBondContact O-N 3.23Å; E175-R177 VanDerWaalsContact C-N 3.32Å; E175-R177 PolarHBondContact O-N 3.18Å; R177-S181 PolarHBondContact O-N 3.14Å; R177-S181 VanDerWaalsContact O-N 3.08Å
178K90.5Very high83.9Confident105 Ų10583.7 Ų83.746%0.45739%0.392SS..Hα-helixtrans-62.7-48.7175.9-176.2176.4-178-1790110.2Q174 E175 Y180 S181 W182 W236Q174-K178 PolarHBondContact O-N 3.02Å; E175-K178 WeakPolarHBondContact O-CB 3.41Å; E175-K178 PolarHBondContact O-N 3.35Å; K178-Y180 PolarHBondContact O-N 3.12Å; K178-S181 PolarHBondContact O-N 2.89Å; K178-W182 VanDerWaalsContact O-CD1 3.27Å; K178-W182 PolarHBondContact O-N 2.88Å; K178-W236 HydrophobicContact CD-CZ2 4.01Å; K178-W236 VanDerWaalsContact CE-CZ2 3.46Å; K178-W236 HydrophobicContact CG-CH2 4.5Å; K178-W236 HydrophobicContact CG-CZ2 4.41Å
179S91.5Very high85.4Confident0 Ų080.3 Ų80.30%038%0.38CS..Hα-helixtrans-55.8-50.7176.8-1730000111.7E175 D176 S181 W182 K183 T233 D237E175-S179 WeakPolarHBondContact O-CB 3.34Å; E175-S179 PolarHBondContact O-N 2.97Å; D176-S179 PolarHBondContact O-N 3.25Å; S179-S181 PolarHBondContact O-N 2.88Å; S179-W182 PolarHBondContact O-N 3.46Å; S179-K183 WeakPolarHBondContact O-CG 3.28Å; S179-K183 PolarHBondContact O-N 3.43Å; S179-K183 VanDerWaalsContact OG-CE 3.23Å; S179-K183 WeakPolarHBondContact OG-CE 3.35Å; S179-T233 PolarHBondContact OG-O 3.44Å; S179-D237 WeakPolarHBondContact CB-OD1 3.05Å; S179-D237 PolarHBondContact OG-OD1 2.69Å
180Y92.2Very high87.5Confident40 Ų4071.2 Ų71.216%0.15734%0.341CS..Hα-helixtrans-57.9-46178.7-177-119.7000113.1W164 D176 K178 W182 K183 Q184W164-Y180 HydrophobicContact CB-CD2 3.5Å; W164-Y180 VanDerWaalsContact CB-CD2 3.5Å; W164-Y180 HydrophobicContact CB-CE2 3.53Å; W164-Y180 HydrophobicContact CD2-CD2 4.26Å; W164-Y180 AromaticContact CE3-CD2 3.99Å; W164-Y180 HydrophobicContact CE3-CD2 3.99Å; W164-Y180 HydrophobicContact CE3-CG 4.26Å; W164-Y180 HydrophobicContact CG-CD2 4.11Å; D176-Y180 WeakPolarHBondContact O-CB 3.42Å; D176-Y180 PolarHBondContact O-N 3.37Å; K178-Y180 PolarHBondContact O-N 3.12Å; Y180-W182 VanDerWaalsContact C-N 3.32Å; Y180-W182 PolarHBondContact O-N 2.96Å; Y180-K183 PolarHBondContact O-N 2.89Å; Y180-Q184 HydrophobicContact CE1-CG 4.42Å; Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 VanDerWaalsContact CZ-NE2 3.26Å; Y180-Q184 WeakPolarHBondContact O-CG 3.5Å; Y180-Q184 PolarHBondContact O-N 2.94Å; Y180-Q184 VanDerWaalsContact O-N 3.08Å; Y180-Q184 PolarHBondContact OH-NE2 3.32Å
181S92.8Very high89.6Confident38 Ų3870.7 Ų70.727%0.26634%0.337SS..Hα-helixtrans-62.2-40.6178.5-173.60000111.9R177 K178 S179 R185R177-S181 PolarHBondContact O-N 3.14Å; R177-S181 VanDerWaalsContact O-N 3.08Å; K178-S181 PolarHBondContact O-N 2.89Å; S179-S181 PolarHBondContact O-N 2.88Å; S181-R185 WeakPolarHBondContact O-CG 3.39Å; S181-R185 PolarHBondContact O-N 3.44Å; S181-R185 VanDerWaalsContact O-N 3.11Å
182W95.8Very high91.4Very high107 Ų10773 Ų7341%0.40535%0.351SS..Hα-helixtrans-67.3-43.5175.4-83.9104.4000112.4K178 S179 Y180 Q184 R185 L186 T233 W236K178-W182 VanDerWaalsContact O-CD1 3.27Å; K178-W182 PolarHBondContact O-N 2.88Å; S179-W182 PolarHBondContact O-N 3.46Å; Y180-W182 VanDerWaalsContact C-N 3.32Å; Y180-W182 PolarHBondContact O-N 2.96Å; W182-Q184 VanDerWaalsContact C-N 3.29Å; W182-Q184 PolarHBondContact O-N 3.39Å; W182-R185 PolarHBondContact O-N 2.82Å; W182-L186 HydrophobicContact CB-CD1 4.41Å; W182-L186 HydrophobicContact CE3-CD1 4.43Å; W182-L186 HydrophobicContact CE3-CG 4.3Å; W182-L186 VanDerWaalsContact O-CB 3.29Å; W182-L186 WeakPolarHBondContact O-CB 3.5Å; W182-L186 WeakPolarHBondContact O-CD1 3.29Å; W182-L186 WeakPolarHBondContact O-CG 3.38Å; W182-L186 PolarHBondContact O-N 3.32Å; W182-T233 HydrophobicContact CB-CG2 4.21Å; W182-W236 HydrophobicContact CB-CZ3 4Å; W182-W236 AromaticContact CD1-CH2 3.68Å; W182-W236 AromaticContact CD1-CZ3 3.67Å; W182-W236 HydrophobicContact CG-CH2 4.12Å; W182-W236 AromaticContact CG-CZ3 3.89Å; W182-W236 HydrophobicContact CG-CZ3 3.89Å; W182-W236 AromaticContact NE1-CH2 3.99Å
183K95.9Very high93.1Very high0 Ų067.3 Ų67.30%032%0.317CS..Hα-helixtrans-54.6-45.5175.2-71179.8-156.7-70.70111.6Y95 T160 W164 S179 Y180 F187 F230 T233 D237Y95-K183 PolarHBondContact OH-NZ 3.47Å; T160-K183 HydrophobicContact CG2-CD 3.83Å; W164-K183 HydrophobicContact CD2-CD 4.47Å; W164-K183 VanDerWaalsContact CZ2-CE 3.49Å; S179-K183 WeakPolarHBondContact O-CG 3.28Å; S179-K183 PolarHBondContact O-N 3.43Å; S179-K183 VanDerWaalsContact OG-CE 3.23Å; S179-K183 WeakPolarHBondContact OG-CE 3.35Å; Y180-K183 PolarHBondContact O-N 2.89Å; K183-F187 WeakPolarHBondContact O-CB 3.27Å; K183-F187 PolarHBondContact O-N 3.11Å; K183-F230 HydrophobicContact CB-CD2 4.21Å; K183-F230 HydrophobicContact CB-CE2 3.6Å; K183-F230 HydrophobicContact CB-CZ 4.18Å; K183-F230 HydrophobicContact CD-CZ 4.36Å; K183-F230 HydrophobicContact CG-CD2 4.35Å; K183-F230 HydrophobicContact CG-CE2 3.89Å; K183-F230 HydrophobicContact CG-CZ 4.12Å; K183-F230 WeakPolarHBondContact O-CE2 3.25Å; K183-T233 HydrophobicContact CG-CG2 4.04Å; K183-T233 PolarHBondContact NZ-OG1 3.02Å; K183-D237 VanDerWaalsContact CE-OD2 3.23Å; K183-D237 WeakPolarHBondContact CE-OD2 3.38Å; K183-D237 IonicContact NZ-OD2 3.65Å; K183-D237 PolarHBondContact NZ-OD2 2.97Å
184Q96.5Very high94.1Very high80 Ų8066.6 Ų66.637%0.37431%0.307SS..Hα-helixtrans-63.4-48177.5-70.5-176.8-45.200112.4Y180 W182 F187 V188Y180-Q184 HydrophobicContact CE1-CG 4.42Å; Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 VanDerWaalsContact CZ-NE2 3.26Å; Y180-Q184 WeakPolarHBondContact O-CG 3.5Å; Y180-Q184 PolarHBondContact O-N 2.94Å; Y180-Q184 VanDerWaalsContact O-N 3.08Å; Y180-Q184 PolarHBondContact OH-NE2 3.32Å; W182-Q184 VanDerWaalsContact C-N 3.29Å; W182-Q184 PolarHBondContact O-N 3.39Å; Q184-F187 PolarHBondContact O-N 2.85Å; Q184-V188 WeakPolarHBondContact O-CG2 3.27Å; Q184-V188 PolarHBondContact O-N 2.97Å
185R97.9Very high94.8Very high139 Ų13963.2 Ų63.253%0.52529%0.29SS..Hα-helixtrans-61.2-46.5178.8-71.5173.2-176.1176.61.1111.4S181 W182 V188 I189S181-R185 WeakPolarHBondContact O-CG 3.39Å; S181-R185 PolarHBondContact O-N 3.44Å; S181-R185 VanDerWaalsContact O-N 3.11Å; W182-R185 PolarHBondContact O-N 2.82Å; R185-V188 PolarHBondContact O-N 3.18Å; R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.34Å; R185-I189 PolarHBondContact O-N 3.19Å
186L98.3Very high95.5Very high13 Ų1361.3 Ų61.37%0.06829%0.286CS..Hα-helixtrans-64.5-40.6-179.8-69167.9000111.5W182 N190 T226 A229 F230 T233W182-L186 HydrophobicContact CB-CD1 4.41Å; W182-L186 HydrophobicContact CE3-CD1 4.43Å; W182-L186 HydrophobicContact CE3-CG 4.3Å; W182-L186 VanDerWaalsContact O-CB 3.29Å; W182-L186 WeakPolarHBondContact O-CB 3.5Å; W182-L186 WeakPolarHBondContact O-CD1 3.29Å; W182-L186 WeakPolarHBondContact O-CG 3.38Å; W182-L186 PolarHBondContact O-N 3.32Å; L186-N190 WeakPolarHBondContact O-CB 3.29Å; L186-N190 PolarHBondContact O-N 3.32Å; L186-T226 HydrophobicContact CD2-CG2 4.13Å; L186-A229 HydrophobicContact CD1-CB 4Å; L186-A229 HydrophobicContact CD2-CB 3.79Å; L186-F230 HydrophobicContact CB-CB 4.34Å; L186-F230 HydrophobicContact CB-CD2 4.12Å; L186-F230 HydrophobicContact CD1-CB 4.31Å; L186-T233 HydrophobicContact CD1-CG2 4.08Å
187F98.3Very high96.2Very high32 Ų3259.9 Ų59.914%0.1428%0.279CS..Hα-helixtrans-59.5-49.2172.4170-112.4000112.1L154 M157 L158 K183 Q184 I189 N190 F191L154-F187 HydrophobicContact CD2-CE2 4.4Å; M157-F187 HydrophobicContact CB-CB 4.3Å; M157-F187 HydrophobicContact CB-CD2 3.6Å; M157-F187 HydrophobicContact CB-CE2 4.41Å; M157-F187 HydrophobicContact CB-CG 4.31Å; M157-F187 HydrophobicContact CE-CB 4.35Å; L158-F187 HydrophobicContact CB-CE2 3.88Å; L158-F187 HydrophobicContact CB-CZ 3.88Å; L158-F187 HydrophobicContact CD1-CE1 3.95Å; L158-F187 HydrophobicContact CD1-CZ 3.86Å; L158-F187 HydrophobicContact CG-CZ 4.33Å; K183-F187 WeakPolarHBondContact O-CB 3.27Å; K183-F187 PolarHBondContact O-N 3.11Å; Q184-F187 PolarHBondContact O-N 2.85Å; F187-I189 PolarHBondContact O-N 3.49Å; F187-N190 PolarHBondContact O-N 2.94Å; F187-F191 HydrophobicContact CE2-CB 4.43Å; F187-F191 HydrophobicContact CE2-CD2 4.27Å; F187-F191 HydrophobicContact CZ-CD2 4.14Å; F187-F191 VanDerWaalsContact O-CB 3.26Å; F187-F191 WeakPolarHBondContact O-CB 3.43Å; F187-F191 PolarHBondContact O-N 3.48Å
188V98.4Very high96.7Very high83 Ų8354.5 Ų54.550%0.50326%0.264SS..Hα-helixtrans-62.4-46.1-179.4171.80000111.2Q184 R185 F191 V192Q184-V188 WeakPolarHBondContact O-CG2 3.27Å; Q184-V188 PolarHBondContact O-N 2.97Å; R185-V188 PolarHBondContact O-N 3.18Å; V188-F191 PolarHBondContact O-N 2.95Å; V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CB 3.46Å; V188-V192 VanDerWaalsContact O-CG2 3.32Å; V188-V192 WeakPolarHBondContact O-CG2 3.46Å; V188-V192 PolarHBondContact O-N 2.91Å
189I98.5Very high97Very high79 Ų7952.4 Ų52.441%0.40527%0.266SS..Hα-helixtrans-62.6-45.6178.4-64.1164.7000110.2R185 F187 S193 T222 T226R185-I189 VanDerWaalsContact O-CG1 3.26Å; R185-I189 WeakPolarHBondContact O-CG1 3.34Å; R185-I189 PolarHBondContact O-N 3.19Å; F187-I189 PolarHBondContact O-N 3.49Å; I189-S193 WeakPolarHBondContact O-CB 3.29Å; I189-S193 PolarHBondContact O-N 2.85Å; I189-S193 PolarHBondContact O-OG 3.46Å; I189-T222 HydrophobicContact CG2-CG2 3.82Å; I189-T226 HydrophobicContact CB-CG2 4.22Å; I189-T226 HydrophobicContact CG2-CG2 3.74Å
190N98.5Very high97.3Very high1 Ų153.7 Ų53.71%0.00527%0.273CS..Hα-helixtrans-60.3-49.5179-170.3-78.4000111.5L154 M157 L186 F187 S193 F194 V223 T226L154-N190 WeakPolarHBondContact CD2-OD1 3.45Å; M157-N190 HydrophobicContact CE-CB 3.92Å; M157-N190 HydrophobicContact SD-CB 4.27Å; L186-N190 WeakPolarHBondContact O-CB 3.29Å; L186-N190 PolarHBondContact O-N 3.32Å; F187-N190 PolarHBondContact O-N 2.94Å; N190-S193 PolarHBondContact O-N 3.41Å; N190-F194 WeakPolarHBondContact O-CB 3.41Å; N190-F194 PolarHBondContact O-N 3.27Å; N190-V223 PolarHBondContact ND2-O 2.8Å; N190-T226 WeakPolarHBondContact CB-OG1 3.22Å; N190-T226 PolarHBondContact ND2-OG1 3.16Å
191F98.4Very high97.5Very high91 Ų9155.5 Ų55.540%0.39928%0.28SS..Hα-helixtrans-58-53.2179-175.3-86.8000111.5L154 F187 V188 S193 F194 F195L154-F191 HydrophobicContact CD2-CB 4.32Å; L154-F191 HydrophobicContact CD2-CD2 4.36Å; F187-F191 HydrophobicContact CE2-CB 4.43Å; F187-F191 HydrophobicContact CE2-CD2 4.27Å; F187-F191 HydrophobicContact CZ-CD2 4.14Å; F187-F191 VanDerWaalsContact O-CB 3.26Å; F187-F191 WeakPolarHBondContact O-CB 3.43Å; F187-F191 PolarHBondContact O-N 3.48Å; V188-F191 PolarHBondContact O-N 2.95Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.01Å; F191-F194 PolarHBondContact O-N 3.42Å; F191-F195 AromaticContact CD1-CD2 3.87Å; F191-F195 HydrophobicContact CD1-CD2 3.87Å; F191-F195 HydrophobicContact CD1-CE2 4.12Å; F191-F195 HydrophobicContact CD2-CD2 4.26Å; F191-F195 AromaticContact CD2-CE2 3.77Å; F191-F195 HydrophobicContact CD2-CE2 3.77Å; F191-F195 AromaticContact CE1-CD2 3.64Å; F191-F195 HydrophobicContact CE1-CD2 3.64Å; F191-F195 AromaticContact CE1-CE2 3.7Å; F191-F195 HydrophobicContact CE1-CE2 3.7Å; F191-F195 HydrophobicContact CE2-CD2 4.09Å; F191-F195 AromaticContact CE2-CE2 3.33Å; F191-F195 HydrophobicContact CE2-CE2 3.33Å; F191-F195 HydrophobicContact CE2-CZ 4.2Å; F191-F195 HydrophobicContact CG-CD2 4.17Å; F191-F195 HydrophobicContact CG-CE2 4.15Å; F191-F195 AromaticContact CZ-CD2 3.76Å; F191-F195 HydrophobicContact CZ-CD2 3.76Å; F191-F195 AromaticContact CZ-CE2 3.28Å; F191-F195 HydrophobicContact CZ-CE2 3.28Å; F191-F195 HydrophobicContact CZ-CZ 4.1Å; F191-F195 VanDerWaalsContact O-CD2 3.27Å; F191-F195 WeakPolarHBondContact O-CD2 3.29Å; F191-F195 PolarHBondContact O-N 3.46Å; F191-F195 VanDerWaalsContact O-N 3.16Å
192V98.6Very high97.7Very high79 Ų7959.2 Ų59.248%0.47929%0.292SS..Hα-helixtrans-62.1-41.1179.8172.50000111.3V188 S196V188-V192 HydrophobicContact CG1-CG2 4.42Å; V188-V192 WeakPolarHBondContact O-CB 3.46Å; V188-V192 VanDerWaalsContact O-CG2 3.32Å; V188-V192 WeakPolarHBondContact O-CG2 3.46Å; V188-V192 PolarHBondContact O-N 2.91Å; V192-S196 VanDerWaalsContact O-CB 3.22Å; V192-S196 WeakPolarHBondContact O-CB 3.39Å; V192-S196 PolarHBondContact O-N 2.97Å; V192-S196 PolarHBondContact O-OG 2.94Å
193S98.4Very high97.8Very high10 Ų1059.8 Ų59.87%0.0729%0.294CS..Hα-helixtrans-64.7-41.9179.4-57.10000111.6I189 N190 F191 S196 A197 T222I189-S193 WeakPolarHBondContact O-CB 3.29Å; I189-S193 PolarHBondContact O-N 2.85Å; I189-S193 PolarHBondContact O-OG 3.46Å; N190-S193 PolarHBondContact O-N 3.41Å; F191-S193 VanDerWaalsContact C-N 3.32Å; F191-S193 PolarHBondContact O-N 3.01Å; S193-S196 PolarHBondContact O-N 2.9Å; S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 2.88Å; S193-T222 VanDerWaalsContact OG-CG2 3.23Å; S193-T222 WeakPolarHBondContact OG-CG2 3.3Å
194F98.3Very high97.8Very high36 Ų3659.8 Ų59.816%0.15829%0.294CS..Hα-helixtrans-63-50.6177.9172.8-106.6000112.4F146 I150 L154 N190 F191 S196 A197 L198 V223F146-F194 HydrophobicContact CE1-CE2 4.35Å; F146-F194 HydrophobicContact CZ-CE2 4.34Å; I150-F194 HydrophobicContact CB-CE2 4.27Å; I150-F194 HydrophobicContact CB-CZ 4.49Å; I150-F194 HydrophobicContact CD1-CD2 4.2Å; I150-F194 HydrophobicContact CD1-CE2 4.4Å; I150-F194 HydrophobicContact CG1-CD2 4.3Å; I150-F194 HydrophobicContact CG1-CE2 4Å; I150-F194 HydrophobicContact CG2-CD1 4.05Å; I150-F194 HydrophobicContact CG2-CD2 3.78Å; I150-F194 HydrophobicContact CG2-CE1 3.85Å; I150-F194 HydrophobicContact CG2-CE2 3.59Å; I150-F194 HydrophobicContact CG2-CG 4.01Å; I150-F194 HydrophobicContact CG2-CZ 3.62Å; L154-F194 HydrophobicContact CD1-CD1 3.97Å; L154-F194 HydrophobicContact CD1-CG 4.45Å; N190-F194 WeakPolarHBondContact O-CB 3.41Å; N190-F194 PolarHBondContact O-N 3.27Å; F191-F194 PolarHBondContact O-N 3.42Å; F194-S196 VanDerWaalsContact C-N 3.27Å; F194-S196 PolarHBondContact O-N 3.04Å; F194-A197 WeakPolarHBondContact O-CB 3.22Å; F194-A197 PolarHBondContact O-N 3.48Å; F194-A197 VanDerWaalsContact O-N 3.16Å; F194-L198 PolarHBondContact O-N 2.65Å; F194-V223 HydrophobicContact CB-CG2 3.91Å
195F98.3Very high97.8Very high98 Ų9858.4 Ų58.443%0.4329%0.289SS..Hα-helixtrans-66.1-33179.5-77.5-75.2000112.2F191 A199F191-F195 AromaticContact CD1-CD2 3.87Å; F191-F195 HydrophobicContact CD1-CD2 3.87Å; F191-F195 HydrophobicContact CD1-CE2 4.12Å; F191-F195 HydrophobicContact CD2-CD2 4.26Å; F191-F195 AromaticContact CD2-CE2 3.77Å; F191-F195 HydrophobicContact CD2-CE2 3.77Å; F191-F195 AromaticContact CE1-CD2 3.64Å; F191-F195 HydrophobicContact CE1-CD2 3.64Å; F191-F195 AromaticContact CE1-CE2 3.7Å; F191-F195 HydrophobicContact CE1-CE2 3.7Å; F191-F195 HydrophobicContact CE2-CD2 4.09Å; F191-F195 AromaticContact CE2-CE2 3.33Å; F191-F195 HydrophobicContact CE2-CE2 3.33Å; F191-F195 HydrophobicContact CE2-CZ 4.2Å; F191-F195 HydrophobicContact CG-CD2 4.17Å; F191-F195 HydrophobicContact CG-CE2 4.15Å; F191-F195 AromaticContact CZ-CD2 3.76Å; F191-F195 HydrophobicContact CZ-CD2 3.76Å; F191-F195 AromaticContact CZ-CE2 3.28Å; F191-F195 HydrophobicContact CZ-CE2 3.28Å; F191-F195 HydrophobicContact CZ-CZ 4.1Å; F191-F195 VanDerWaalsContact O-CD2 3.27Å; F191-F195 WeakPolarHBondContact O-CD2 3.29Å; F191-F195 PolarHBondContact O-N 3.46Å; F191-F195 VanDerWaalsContact O-N 3.16Å; F195-A199 PolarHBondContact O-N 2.92Å; F195-A199 VanDerWaalsContact O-N 3.12Å
196S98.4Very high97.8Very high45 Ų4558.6 Ų58.632%0.31530%0.298SS..Hα-helixtrans-67.7-41.8172.7-59.70000111.3V192 S193 F194 L198 A199 V200V192-S196 VanDerWaalsContact O-CB 3.22Å; V192-S196 WeakPolarHBondContact O-CB 3.39Å; V192-S196 PolarHBondContact O-N 2.97Å; V192-S196 PolarHBondContact O-OG 2.94Å; S193-S196 PolarHBondContact O-N 2.9Å; F194-S196 VanDerWaalsContact C-N 3.27Å; F194-S196 PolarHBondContact O-N 3.04Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.39Å; S196-A199 PolarHBondContact O-N 3.44Å; S196-V200 VanDerWaalsContact O-CG2 3.3Å; S196-V200 WeakPolarHBondContact O-CG2 3.23Å; S196-V200 PolarHBondContact O-N 3.43Å
197A97.9Very high97.7Very high6 Ų665.5 Ų65.55%0.0532%0.324CS..Hα-helixtrans-59.5-44.5175.800000110.5S193 F194 A199 V200 Y201 F216 L219S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 2.88Å; F194-A197 WeakPolarHBondContact O-CB 3.22Å; F194-A197 PolarHBondContact O-N 3.48Å; F194-A197 VanDerWaalsContact O-N 3.16Å; A197-A199 PolarHBondContact O-N 3.37Å; A197-V200 PolarHBondContact O-N 3.03Å; A197-Y201 VanDerWaalsContact O-CB 3.28Å; A197-Y201 WeakPolarHBondContact O-CB 3.39Å; A197-Y201 PolarHBondContact O-N 3.44Å; A197-F216 HydrophobicContact CB-CD2 4.08Å; A197-F216 HydrophobicContact CB-CE2 4.24Å; A197-F216 WeakPolarHBondContact O-CD2 3.47Å; A197-L219 HydrophobicContact CB-CB 3.73Å; A197-L219 HydrophobicContact CB-CD1 4.42Å
198L96.8Very high97.6Very high63 Ų6366.1 Ų66.133%0.3333%0.332SS..Hα-helixtrans-59.8-44.9177.1-173.263.2000112F194 S196 Y201 F202F194-L198 PolarHBondContact O-N 2.65Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.39Å; L198-Y201 PolarHBondContact O-N 2.86Å; L198-F202 HydrophobicContact CD1-CD2 4Å; L198-F202 HydrophobicContact CD1-CE2 3.38Å; L198-F202 HydrophobicContact CD1-CZ 4.02Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 HydrophobicContact CG-CD2 3.93Å; L198-F202 HydrophobicContact CG-CE2 3.56Å; L198-F202 WeakPolarHBondContact O-CD2 3.05Å; L198-F202 PolarHBondContact O-N 2.96Å
199A98Very high97.5Very high61 Ų6165.6 Ų65.650%0.50432%0.324SS..Hα-helixtrans-62.3-43.617700000112.2F195 S196 A197 R203F195-A199 PolarHBondContact O-N 2.92Å; F195-A199 VanDerWaalsContact O-N 3.12Å; S196-A199 PolarHBondContact O-N 3.44Å; A197-A199 PolarHBondContact O-N 3.37Å; A199-R203 WeakPolarHBondContact O-CB 3.26Å; A199-R203 PolarHBondContact O-N 3.14Å
200V97.9Very high97.5Very high26 Ų2665 Ų6516%0.15833%0.331CS..Hα-helixtrans-68.8-36.6178.2176.40000111.5S196 A197 R203 H204 V212 I215 F216 L219S196-V200 VanDerWaalsContact O-CG2 3.3Å; S196-V200 WeakPolarHBondContact O-CG2 3.23Å; S196-V200 PolarHBondContact O-N 3.43Å; A197-V200 PolarHBondContact O-N 3.03Å; V200-R203 WeakPolarHBondContact O-CB 3.46Å; V200-R203 PolarHBondContact O-N 3.03Å; V200-H204 PolarHBondContact O-N 2.73Å; V200-V212 HydrophobicContact CG1-CG1 3.59Å; V200-V212 VanDerWaalsContact CG1-O 3.22Å; V200-V212 WeakPolarHBondContact CG1-O 3.43Å; V200-I215 HydrophobicContact CG1-CB 4.07Å; V200-I215 HydrophobicContact CG1-CG2 4.16Å; V200-I215 HydrophobicContact CG2-CG2 4.16Å; V200-F216 HydrophobicContact CB-CB 4.5Å; V200-F216 HydrophobicContact CG1-CB 3.87Å; V200-L219 HydrophobicContact CB-CD1 4.49Å; V200-L219 HydrophobicContact CG2-CD1 3.99Å
201Y95.9Very high97.3Very high78 Ų7865.7 Ų65.731%0.30634%0.338SS..Hα-helixtrans-61.1-49.8175178.2-104.5000111.5A197 L198 R203 H204 N205 F216A197-Y201 VanDerWaalsContact O-CB 3.28Å; A197-Y201 WeakPolarHBondContact O-CB 3.39Å; A197-Y201 PolarHBondContact O-N 3.44Å; L198-Y201 PolarHBondContact O-N 2.86Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 2.83Å; Y201-H204 PolarHBondContact O-N 2.99Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.36Å; Y201-N205 PolarHBondContact O-N 3.38Å; Y201-N205 PolarHBondContact OH-ND2 3.24Å; Y201-F216 HydrophobicContact CD2-CD2 4.32Å; Y201-F216 HydrophobicContact CD2-CE1 4.49Å; Y201-F216 HydrophobicContact CD2-CE2 4.01Å; Y201-F216 HydrophobicContact CD2-CZ 4.11Å; Y201-F216 HydrophobicContact CG-CD2 4.49Å; Y201-F216 HydrophobicContact CG-CE2 4.25Å
202F97.1Very high97.3Very high117 Ų11762 Ų6251%0.51332%0.323SS..Hα-helixtrans-62.8-39.9175.2-74.8-58.8000111.9L198 H204 N205 M206L198-F202 HydrophobicContact CD1-CD2 4Å; L198-F202 HydrophobicContact CD1-CE2 3.38Å; L198-F202 HydrophobicContact CD1-CZ 4.02Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 HydrophobicContact CG-CD2 3.93Å; L198-F202 HydrophobicContact CG-CE2 3.56Å; L198-F202 WeakPolarHBondContact O-CD2 3.05Å; L198-F202 PolarHBondContact O-N 2.96Å; F202-H204 PolarHBondContact O-N 3.32Å; F202-N205 PolarHBondContact O-N 2.9Å; F202-M206 WeakPolarHBondContact O-CB 3.48Å; F202-M206 WeakPolarHBondContact O-CG 3.22Å; F202-M206 PolarHBondContact O-N 2.91Å
203R97.4Very high97.2Very high119 Ų11959.7 Ų59.745%0.44931%0.306SS..Hα-helixtrans-59-47.2174.9-174.6-178.1178.293.89.4111.6A199 V200 Y201 N205 M206 Y207 E209 V212A199-R203 WeakPolarHBondContact O-CB 3.26Å; A199-R203 PolarHBondContact O-N 3.14Å; V200-R203 WeakPolarHBondContact O-CB 3.46Å; V200-R203 PolarHBondContact O-N 3.03Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 2.83Å; R203-N205 PolarHBondContact O-N 2.66Å; R203-M206 PolarHBondContact O-N 2.93Å; R203-Y207 HydrophobicContact CG-CD2 3.87Å; R203-Y207 HydrophobicContact CG-CE2 4.47Å; R203-Y207 WeakPolarHBondContact O-CD2 3.15Å; R203-Y207 PolarHBondContact O-N 3.18Å; R203-E209 IonicContact CZ-OE1 3.81Å; R203-E209 IonicContact CZ-OE2 3.17Å; R203-E209 IonicContact NE-OE2 3.97Å; R203-E209 PolarHBondContact NE-OE2 3.33Å; R203-E209 IonicContact NH2-OE1 2.82Å; R203-E209 PolarHBondContact NH2-OE1 3.23Å; R203-E209 IonicContact NH2-OE2 2.85Å; R203-E209 PolarHBondContact NH2-OE2 3.06Å; R203-V212 HydrophobicContact CB-CG1 4.4Å; R203-V212 HydrophobicContact CG-CG1 4.35Å
204H97Very high97.2Very high0 Ų059.9 Ų59.90%031%0.307CS..Hα-helixtrans-59.6-47.7177.6-174.569.5000111.6T52 V200 Y201 F202 M206 C208 V212 Y213T52-H204 PolarHBondContact OG1-NE2 3.34Å; T52-H204 VanDerWaalsContact OG1-NE2 3.17Å; V200-H204 PolarHBondContact O-N 2.73Å; Y201-H204 PolarHBondContact O-N 2.99Å; F202-H204 PolarHBondContact O-N 3.32Å; H204-M206 VanDerWaalsContact C-N 3.27Å; H204-M206 PolarHBondContact O-N 3.49Å; H204-C208 VanDerWaalsContact O-CA 3.29Å; H204-C208 WeakPolarHBondContact O-CA 3.21Å; H204-C208 PolarHBondContact O-N 3.29Å; H204-V212 HydrophobicContact CB-CB 4.4Å; H204-V212 HydrophobicContact CB-CG1 3.91Å; H204-Y213 AromaticContact CD2-CD2 3.63Å
205N95.4Very high97.2Very high50 Ų5062.4 Ų62.427%0.26732%0.321SS..Hα-helixtrans-68.6-24-178.3-70.5-8.3000113.8H53 Y201 F202 R203H53-N205 PolarHBondContact CE1-OD1 3.33Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.36Å; Y201-N205 PolarHBondContact O-N 3.38Å; Y201-N205 PolarHBondContact OH-ND2 3.24Å; F202-N205 PolarHBondContact O-N 2.9Å; R203-N205 PolarHBondContact O-N 2.66Å
206M97.1Very high97.2Very high143 Ų14358.9 Ų58.970%0.70431%0.305SS*.Hα-helixtrans-90.7-37.4179.2-68.8-60.2-60.700113.3F202 R203 H204F202-M206 WeakPolarHBondContact O-CB 3.48Å; F202-M206 WeakPolarHBondContact O-CG 3.22Å; F202-M206 PolarHBondContact O-N 2.91Å; R203-M206 PolarHBondContact O-N 2.93Å; H204-M206 VanDerWaalsContact C-N 3.27Å; H204-M206 PolarHBondContact O-N 3.49Å
207Y96.9Very high97.1Very high159 Ų15956.7 Ų56.762%0.62429%0.29SS*.Hα-helixtrans-113.8-12.4-170.5-59.8-75.6000114.1R203 E209R203-Y207 HydrophobicContact CG-CD2 3.87Å; R203-Y207 HydrophobicContact CG-CE2 4.47Å; R203-Y207 WeakPolarHBondContact O-CD2 3.15Å; R203-Y207 PolarHBondContact O-N 3.18Å; Y207-E209 PolarHBondContact O-N 2.73Å
208C96.8Very high97.1Very high44 Ų4460.3 Ų60.330%0.29731%0.308SS..  trans48.941.4-179.1-72.50000113.5C54 V56 H204C54-C208 HydrophobicContact CB-CB 3.49Å; C54-C208 VanDerWaalsContact CB-CB 3.49Å; C54-C208 WeakPolarHBondContact CB-SG 3.45Å; C54-C208 WeakPolarHBondContact SG-CA 3.47Å; C54-C208 WeakPolarHBondContact SG-CB 3.3Å; C54-C208 CovalentContact SG-SG 2.04Å; C54-C208 PolarHBondContact SG-SG 3.02Å; V56-C208 WeakPolarHBondContact CG1-O 3.35Å; H204-C208 VanDerWaalsContact O-CA 3.29Å; H204-C208 WeakPolarHBondContact O-CA 3.21Å; H204-C208 PolarHBondContact O-N 3.29Å
209E96.9Very high97.2Very high73 Ų7358.8 Ų58.834%0.34130%0.3SS..  trans-77134.8-179.7-71.7176.1149.100111.5R203 Y207 G211 V212R203-E209 IonicContact CZ-OE1 3.81Å; R203-E209 IonicContact CZ-OE2 3.17Å; R203-E209 IonicContact NE-OE2 3.97Å; R203-E209 PolarHBondContact NE-OE2 3.33Å; R203-E209 IonicContact NH2-OE1 2.82Å; R203-E209 PolarHBondContact NH2-OE1 3.23Å; R203-E209 IonicContact NH2-OE2 2.85Å; R203-E209 PolarHBondContact NH2-OE2 3.06Å; Y207-E209 PolarHBondContact O-N 2.73Å; E209-G211 PolarHBondContact O-N 3.13Å; E209-V212 HydrophobicContact CB-CB 4.31Å; E209-V212 HydrophobicContact CB-CG2 3.46Å; E209-V212 VanDerWaalsContact CB-CG2 3.46Å; E209-V212 PolarHBondContact O-N 3.31Å
210A96.8Very high97.2Very high66 Ų6656.7 Ų56.755%0.54528%0.28SS..THydrogen-bonded Turntrans-59.8135.6178.500000111.7V56 V212V56-A210 HydrophobicContact CB-CB 4.36Å; A210-V212 PolarHBondContact O-N 2.78Å
211G95.4Very high97.2Very high15 Ų1556.7 Ų56.716%0.15528%0.277CS..THydrogen-bonded Turntrans77.4-10179.100000115.7P57 E209 Y213 T214 I215P57-G211 PolarHBondContact O-N 3.21Å; E209-G211 PolarHBondContact O-N 3.13Å; G211-Y213 VanDerWaalsContact C-N 3.35Å; G211-Y213 PolarHBondContact O-N 3.34Å; G211-T214 WeakPolarHBondContact O-CB 3.48Å; G211-T214 PolarHBondContact O-N 3.46Å; G211-I215 PolarHBondContact O-N 2.98Å
212V97.5Very high97.4Very high14 Ų1455 Ų559%0.08527%0.274CS..Hα-helixtrans-65.9-38.8179.2176.20000111.4V200 R203 H204 E209 A210 T214 I215 F216V200-V212 HydrophobicContact CG1-CG1 3.59Å; V200-V212 VanDerWaalsContact CG1-O 3.22Å; V200-V212 WeakPolarHBondContact CG1-O 3.43Å; R203-V212 HydrophobicContact CB-CG1 4.4Å; R203-V212 HydrophobicContact CG-CG1 4.35Å; H204-V212 HydrophobicContact CB-CB 4.4Å; H204-V212 HydrophobicContact CB-CG1 3.91Å; E209-V212 HydrophobicContact CB-CB 4.31Å; E209-V212 HydrophobicContact CB-CG2 3.46Å; E209-V212 VanDerWaalsContact CB-CG2 3.46Å; E209-V212 PolarHBondContact O-N 3.31Å; A210-V212 PolarHBondContact O-N 2.78Å; V212-T214 PolarHBondContact O-N 2.87Å; V212-I215 WeakPolarHBondContact O-CB 3.26Å; V212-I215 PolarHBondContact O-N 3.1Å; V212-I215 VanDerWaalsContact O-N 3.09Å; V212-F216 PolarHBondContact O-N 3.49Å; V212-F216 VanDerWaalsContact O-N 3.08Å
213Y96.9Very high97.4Very high31 Ų3149.8 Ų49.812%0.12225%0.252CS..Hα-helixtrans-64.4-25.5173.4-160.9-102.6000113T52 N58 S62 H204 G211 F216 A217T52-Y213 HydrophobicContact CG2-CD1 3.6Å; T52-Y213 HydrophobicContact CG2-CD2 3.81Å; T52-Y213 HydrophobicContact CG2-CE1 3.83Å; T52-Y213 HydrophobicContact CG2-CE2 4.03Å; T52-Y213 HydrophobicContact CG2-CG 3.59Å; N58-Y213 VanDerWaalsContact OD1-CB 3.28Å; N58-Y213 WeakPolarHBondContact OD1-CB 3.26Å; S62-Y213 WeakPolarHBondContact CB-OH 3.35Å; S62-Y213 PolarHBondContact OG-OH 2.98Å; H204-Y213 AromaticContact CD2-CD2 3.63Å; G211-Y213 VanDerWaalsContact C-N 3.35Å; G211-Y213 PolarHBondContact O-N 3.34Å; Y213-F216 AromaticContact CD2-CD1 3.95Å; Y213-F216 HydrophobicContact CD2-CD1 3.95Å; Y213-F216 HydrophobicContact CE1-CD1 4.4Å; Y213-F216 AromaticContact CE2-CD1 3.69Å; Y213-F216 HydrophobicContact CE2-CD1 3.69Å; Y213-F216 AromaticContact CE2-CE1 3.94Å; Y213-F216 HydrophobicContact CE2-CE1 3.94Å; Y213-F216 HydrophobicContact CG-CD1 4.41Å; Y213-F216 AromaticContact CZ-CD1 3.93Å; Y213-F216 AromaticContact CZ-CE1 3.99Å; Y213-F216 WeakPolarHBondContact O-CB 3.18Å; Y213-F216 PolarHBondContact O-N 2.97Å; Y213-A217 PolarHBondContact O-N 2.91Å
214T97.8Very high97.4Very high14 Ų1445.5 Ų45.59%0.08624%0.239CC..Hα-helixtrans-67.9-39.2173.5-54.70000111Y59 L60 G211 V212 F216 A217 I218Y59-T214 HydrophobicContact CD2-CG2 4.35Å; Y59-T214 PolarHBondContact N-OG1 3.46Å; L60-T214 HydrophobicContact CB-CG2 3.92Å; L60-T214 HydrophobicContact CD1-CG2 3.82Å; L60-T214 HydrophobicContact CG-CG2 3.82Å; G211-T214 WeakPolarHBondContact O-CB 3.48Å; G211-T214 PolarHBondContact O-N 3.46Å; V212-T214 PolarHBondContact O-N 2.87Å; T214-F216 VanDerWaalsContact C-N 3.34Å; T214-A217 PolarHBondContact O-N 2.9Å; T214-I218 WeakPolarHBondContact O-CG1 3.41Å; T214-I218 PolarHBondContact O-N 3.31Å; T214-I218 VanDerWaalsContact O-N 3.09Å
215I98.2Very high97.5Very high88 Ų8848.8 Ų48.845%0.45126%0.256SS..Hα-helixtrans-65.5-41.3174.4-59.4171.7000110V200 G211 V212 A217 I218 L219V200-I215 HydrophobicContact CG1-CB 4.07Å; V200-I215 HydrophobicContact CG1-CG2 4.16Å; V200-I215 HydrophobicContact CG2-CG2 4.16Å; G211-I215 PolarHBondContact O-N 2.98Å; V212-I215 WeakPolarHBondContact O-CB 3.26Å; V212-I215 PolarHBondContact O-N 3.1Å; V212-I215 VanDerWaalsContact O-N 3.09Å; I215-A217 PolarHBondContact O-N 2.85Å; I215-I218 PolarHBondContact O-N 3.34Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 3.1Å; I215-L219 VanDerWaalsContact O-N 3.1Å
216F98.2Very high97.6Very high24 Ų2447 Ų4711%0.10525%0.247CC..Hα-helixtrans-55.7-49.4173.1165.3-101.2000111.4A197 V200 Y201 V212 Y213 T214 I218 L219 E220A197-F216 HydrophobicContact CB-CD2 4.08Å; A197-F216 HydrophobicContact CB-CE2 4.24Å; A197-F216 WeakPolarHBondContact O-CD2 3.47Å; V200-F216 HydrophobicContact CB-CB 4.5Å; V200-F216 HydrophobicContact CG1-CB 3.87Å; Y201-F216 HydrophobicContact CD2-CD2 4.32Å; Y201-F216 HydrophobicContact CD2-CE1 4.49Å; Y201-F216 HydrophobicContact CD2-CE2 4.01Å; Y201-F216 HydrophobicContact CD2-CZ 4.11Å; Y201-F216 HydrophobicContact CG-CD2 4.49Å; Y201-F216 HydrophobicContact CG-CE2 4.25Å; V212-F216 PolarHBondContact O-N 3.49Å; V212-F216 VanDerWaalsContact O-N 3.08Å; Y213-F216 AromaticContact CD2-CD1 3.95Å; Y213-F216 HydrophobicContact CD2-CD1 3.95Å; Y213-F216 HydrophobicContact CE1-CD1 4.4Å; Y213-F216 AromaticContact CE2-CD1 3.69Å; Y213-F216 HydrophobicContact CE2-CD1 3.69Å; Y213-F216 AromaticContact CE2-CE1 3.94Å; Y213-F216 HydrophobicContact CE2-CE1 3.94Å; Y213-F216 HydrophobicContact CG-CD1 4.41Å; Y213-F216 AromaticContact CZ-CD1 3.93Å; Y213-F216 AromaticContact CZ-CE1 3.99Å; Y213-F216 WeakPolarHBondContact O-CB 3.18Å; Y213-F216 PolarHBondContact O-N 2.97Å; T214-F216 VanDerWaalsContact C-N 3.34Å; F216-I218 PolarHBondContact O-N 2.9Å; F216-L219 PolarHBondContact O-N 3.34Å; F216-E220 PolarHBondContact O-N 3.09Å
217A97.8Very high97.7Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-57.9-44177.500000112.7L60 P61 Y213 T214 I215 L219 E220 Y221L60-A217 HydrophobicContact CB-CB 3.94Å; P61-A217 VanDerWaalsContact O-CB 3.22Å; P61-A217 WeakPolarHBondContact O-CB 3.45Å; Y213-A217 PolarHBondContact O-N 2.91Å; T214-A217 PolarHBondContact O-N 2.9Å; I215-A217 PolarHBondContact O-N 2.85Å; A217-L219 VanDerWaalsContact C-N 3.31Å; A217-L219 PolarHBondContact O-N 3.43Å; A217-E220 WeakPolarHBondContact O-CB 3.44Å; A217-E220 PolarHBondContact O-N 2.96Å; A217-Y221 HydrophobicContact CB-CE1 4.36Å; A217-Y221 WeakPolarHBondContact O-CD1 3.28Å; A217-Y221 PolarHBondContact O-N 3.17Å
218I98.4Very high97.7Very high82 Ų8234 Ų3442%0.42119%0.192SC..Hα-helixtrans-60.8-41.1177.4-67.3166.3000111.7L60 T214 I215 F216 Y221 T222L60-I218 HydrophobicContact CD1-CD1 3.89Å; L60-I218 HydrophobicContact CD1-CG1 3.45Å; L60-I218 VanDerWaalsContact CD1-CG1 3.45Å; T214-I218 WeakPolarHBondContact O-CG1 3.41Å; T214-I218 PolarHBondContact O-N 3.31Å; T214-I218 VanDerWaalsContact O-N 3.09Å; I215-I218 PolarHBondContact O-N 3.34Å; F216-I218 PolarHBondContact O-N 2.9Å; I218-Y221 PolarHBondContact O-N 3.29Å; I218-T222 PolarHBondContact O-N 3.1Å; I218-T222 PolarHBondContact O-OG1 2.62Å
219L98.6Very high97.7Very high31 Ų3133.7 Ų33.716%0.16219%0.192CC..Hα-helixtrans-69-39.6178.4-67.5166.6000111.1A197 V200 I215 F216 A217 T222 V223A197-L219 HydrophobicContact CB-CB 3.73Å; A197-L219 HydrophobicContact CB-CD1 4.42Å; V200-L219 HydrophobicContact CB-CD1 4.49Å; V200-L219 HydrophobicContact CG2-CD1 3.99Å; I215-L219 HydrophobicContact CG2-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 3.1Å; I215-L219 VanDerWaalsContact O-N 3.1Å; F216-L219 PolarHBondContact O-N 3.34Å; A217-L219 VanDerWaalsContact C-N 3.31Å; A217-L219 PolarHBondContact O-N 3.43Å; L219-T222 WeakPolarHBondContact O-CB 3.4Å; L219-T222 PolarHBondContact O-N 3.11Å; L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.36Å
220E97.7Very high97.7Very high17 Ų1730.3 Ų30.38%0.07918%0.176CC..Hα-helixtrans-60.8-45.1173.1-167.4-176-160.700111.5S62 V63 F216 A217 T222 V223 V224S62-E220 VanDerWaalsContact CA-OE2 3.3Å; S62-E220 WeakPolarHBondContact CA-OE2 3.3Å; S62-E220 WeakPolarHBondContact CB-OE2 3.38Å; V63-E220 HydrophobicContact CB-CG 4.24Å; V63-E220 HydrophobicContact CG2-CB 4.45Å; V63-E220 HydrophobicContact CG2-CG 3.77Å; V63-E220 PolarHBondContact N-OE2 3.1Å; F216-E220 PolarHBondContact O-N 3.09Å; A217-E220 WeakPolarHBondContact O-CB 3.44Å; A217-E220 PolarHBondContact O-N 2.96Å; E220-T222 VanDerWaalsContact C-N 3.25Å; E220-T222 PolarHBondContact O-N 3.43Å; E220-V223 WeakPolarHBondContact O-CB 3.38Å; E220-V223 PolarHBondContact O-N 2.95Å; E220-V223 VanDerWaalsContact O-N 3.14Å; E220-V224 WeakPolarHBondContact O-CG2 3.39Å; E220-V224 PolarHBondContact O-N 3.42Å
221Y98.4Very high97.6Very high25 Ų2527.5 Ų27.510%0.09815%0.151CC..Hα-helixtrans-58-41.8174.1-62.1-6.3000111.1F34 I38 L60 P61 V63 A217 I218 V224 L225F34-Y221 AromaticContact CE2-CD1 3.92Å; F34-Y221 HydrophobicContact CE2-CD1 3.92Å; F34-Y221 HydrophobicContact CE2-CE1 4.44Å; F34-Y221 HydrophobicContact CE2-CG 4.36Å; F34-Y221 AromaticContact CZ-CD1 3.67Å; F34-Y221 HydrophobicContact CZ-CD1 3.67Å; F34-Y221 HydrophobicContact CZ-CD2 4.3Å; F34-Y221 HydrophobicContact CZ-CE1 4.3Å; F34-Y221 AromaticContact CZ-CG 3.67Å; F34-Y221 HydrophobicContact CZ-CG 3.67Å; I38-Y221 HydrophobicContact CD1-CE1 3.64Å; I38-Y221 WeakPolarHBondContact CD1-OH 3.49Å; I38-Y221 HydrophobicContact CG1-CE1 4.2Å; I38-Y221 HydrophobicContact CG2-CE2 4.34Å; L60-Y221 HydrophobicContact CD1-CE2 4.24Å; L60-Y221 HydrophobicContact CD2-CE2 4.47Å; P61-Y221 WeakPolarHBondContact CD-OH 3.3Å; P61-Y221 WeakPolarHBondContact O-CE1 3.45Å; P61-Y221 PolarHBondContact O-OH 3.48Å; V63-Y221 HydrophobicContact CG2-CD1 3.57Å; V63-Y221 HydrophobicContact CG2-CE1 3.81Å; A217-Y221 HydrophobicContact CB-CE1 4.36Å; A217-Y221 WeakPolarHBondContact O-CD1 3.28Å; A217-Y221 PolarHBondContact O-N 3.17Å; I218-Y221 PolarHBondContact O-N 3.29Å; Y221-V224 PolarHBondContact O-N 3.4Å; Y221-L225 WeakPolarHBondContact O-CB 3.24Å; Y221-L225 VanDerWaalsContact O-CG 3.24Å; Y221-L225 WeakPolarHBondContact O-CG 3.39Å; Y221-L225 PolarHBondContact O-N 3.4Å
222T98.5Very high97.6Very high42 Ų4229.1 Ų29.126%0.25816%0.156SC..Hα-helixtrans-63.4-42.1178-560000111.1I189 S193 I218 L219 E220 T226I189-T222 HydrophobicContact CG2-CG2 3.82Å; S193-T222 VanDerWaalsContact OG-CG2 3.23Å; S193-T222 WeakPolarHBondContact OG-CG2 3.3Å; I218-T222 PolarHBondContact O-N 3.1Å; I218-T222 PolarHBondContact O-OG1 2.62Å; L219-T222 WeakPolarHBondContact O-CB 3.4Å; L219-T222 PolarHBondContact O-N 3.11Å; E220-T222 VanDerWaalsContact C-N 3.25Å; E220-T222 PolarHBondContact O-N 3.43Å; T222-T226 HydrophobicContact CG2-CG2 4.26Å; T222-T226 VanDerWaalsContact O-CB 3.31Å; T222-T226 WeakPolarHBondContact O-CB 3.43Å; T222-T226 VanDerWaalsContact O-CG2 3.24Å; T222-T226 WeakPolarHBondContact O-CG2 3.42Å; T222-T226 PolarHBondContact O-N 2.74Å; T222-T226 PolarHBondContact O-OG1 2.95Å
223V98.4Very high97.3Very high8 Ų828.5 Ų28.55%0.04815%0.152CC..Hα-helixtrans-59.8-48.8174.2171.60000110.8I150 N190 F194 L219 E220 T226 N227I150-V223 HydrophobicContact CD1-CG1 3.94Å; N190-V223 PolarHBondContact ND2-O 2.8Å; F194-V223 HydrophobicContact CB-CG2 3.91Å; L219-V223 WeakPolarHBondContact O-CG2 3.34Å; L219-V223 PolarHBondContact O-N 3.36Å; E220-V223 WeakPolarHBondContact O-CB 3.38Å; E220-V223 PolarHBondContact O-N 2.95Å; E220-V223 VanDerWaalsContact O-N 3.14Å; V223-T226 PolarHBondContact O-OG1 3.28Å; V223-T226 VanDerWaalsContact O-OG1 3.1Å; V223-N227 WeakPolarHBondContact O-CB 3.27Å; V223-N227 PolarHBondContact O-N 3.16Å
224V97.6Very high97Very high29 Ų2927.1 Ų27.118%0.17615%0.147CC..Hα-helixtrans-63.1-50.3-179.21720000111.5F34 V63 E220 Y221 T226 N227 M228F34-V224 HydrophobicContact CD2-CG1 4.03Å; F34-V224 HydrophobicContact CE2-CB 4.48Å; F34-V224 HydrophobicContact CE2-CG1 4.22Å; V63-V224 HydrophobicContact CG2-CG2 4.23Å; E220-V224 WeakPolarHBondContact O-CG2 3.39Å; E220-V224 PolarHBondContact O-N 3.42Å; Y221-V224 PolarHBondContact O-N 3.4Å; V224-T226 VanDerWaalsContact C-N 3.34Å; V224-T226 PolarHBondContact O-N 2.99Å; V224-N227 PolarHBondContact O-N 3.31Å; V224-M228 HydrophobicContact CG1-CE 3.3Å; V224-M228 HydrophobicContact CG1-SD 4.44Å; V224-M228 WeakPolarHBondContact O-CG 3.28Å; V224-M228 PolarHBondContact O-N 3.29Å
225L98.1Very high96.6Very high69 Ų6931.3 Ų31.336%0.36116%0.161SC..Hα-helixtrans-64.6-37.8-178.2-69.4171.9000112.3L31 F34 Y221 M228 A229L31-L225 HydrophobicContact CD1-CD2 3.61Å; F34-L225 HydrophobicContact CD1-CD2 4.13Å; F34-L225 HydrophobicContact CE1-CD1 4.36Å; F34-L225 HydrophobicContact CE1-CD2 4.08Å; F34-L225 HydrophobicContact CE1-CG 4.25Å; Y221-L225 WeakPolarHBondContact O-CB 3.24Å; Y221-L225 VanDerWaalsContact O-CG 3.24Å; Y221-L225 WeakPolarHBondContact O-CG 3.39Å; Y221-L225 PolarHBondContact O-N 3.4Å; L225-M228 PolarHBondContact O-N 3.09Å; L225-A229 VanDerWaalsContact O-CB 3.29Å; L225-A229 WeakPolarHBondContact O-CB 3.19Å; L225-A229 PolarHBondContact O-N 3.05Å
226T98.3Very high96.1Very high12 Ų1230.1 Ų30.17%0.07415%0.151CC..Hα-helixtrans-72.7-32.3177.1530000112.9L186 I189 N190 T222 V223 V224 F230L186-T226 HydrophobicContact CD2-CG2 4.13Å; I189-T226 HydrophobicContact CB-CG2 4.22Å; I189-T226 HydrophobicContact CG2-CG2 3.74Å; N190-T226 WeakPolarHBondContact CB-OG1 3.22Å; N190-T226 PolarHBondContact ND2-OG1 3.16Å; T222-T226 HydrophobicContact CG2-CG2 4.26Å; T222-T226 VanDerWaalsContact O-CB 3.31Å; T222-T226 WeakPolarHBondContact O-CB 3.43Å; T222-T226 VanDerWaalsContact O-CG2 3.24Å; T222-T226 WeakPolarHBondContact O-CG2 3.42Å; T222-T226 PolarHBondContact O-N 2.74Å; T222-T226 PolarHBondContact O-OG1 2.95Å; V223-T226 PolarHBondContact O-OG1 3.28Å; V223-T226 VanDerWaalsContact O-OG1 3.1Å; V224-T226 VanDerWaalsContact C-N 3.34Å; V224-T226 PolarHBondContact O-N 2.99Å; T226-F230 VanDerWaalsContact O-CB 3.28Å; T226-F230 WeakPolarHBondContact O-CB 3.33Å; T226-F230 PolarHBondContact O-N 3.45Å
227N97.9Very high95.6Very high13 Ų1329.7 Ų29.77%0.0715%0.15CC..Hα-helixtrans-63.3-48.8170175.1-75.4000110.6E123 S153 V223 V224 A229 F230 H231E123-N227 PolarHBondContact OE1-ND2 2.88Å; S153-N227 PolarHBondContact OG-ND2 3.44Å; V223-N227 WeakPolarHBondContact O-CB 3.27Å; V223-N227 PolarHBondContact O-N 3.16Å; V224-N227 PolarHBondContact O-N 3.31Å; N227-A229 PolarHBondContact O-N 3.26Å; N227-F230 WeakPolarHBondContact O-CB 3.45Å; N227-F230 PolarHBondContact O-N 3.17Å; N227-F230 VanDerWaalsContact O-N 3.13Å; N227-H231 PolarHBondContact O-CD2 3.27Å; N227-H231 PolarHBondContact O-N 3.08Å; N227-H231 VanDerWaalsContact O-N 3.1Å; N227-H231 PolarHBondContact OD1-CD2 2.92Å
228M97.3Very high95Very high18 Ų1830 Ų309%0.08915%0.151CC..Hα-helixtrans-57.3-48.5175.6-68.2-178.8-16500111.7V27 P30 L31 F34 V224 L225 F230 H231 M232V27-M228 HydrophobicContact CG1-CB 4.29Å; P30-M228 HydrophobicContact CB-CE 3.87Å; P30-M228 HydrophobicContact CB-SD 4.32Å; P30-M228 HydrophobicContact CG-SD 4.46Å; L31-M228 HydrophobicContact CB-SD 4.12Å; L31-M228 HydrophobicContact CD1-SD 4.39Å; F34-M228 HydrophobicContact CB-CE 4.08Å; F34-M228 HydrophobicContact CG-CE 4.5Å; V224-M228 HydrophobicContact CG1-CE 3.3Å; V224-M228 HydrophobicContact CG1-SD 4.44Å; V224-M228 WeakPolarHBondContact O-CG 3.28Å; V224-M228 PolarHBondContact O-N 3.29Å; L225-M228 PolarHBondContact O-N 3.09Å; M228-F230 VanDerWaalsContact C-N 3.28Å; M228-F230 PolarHBondContact O-N 3.25Å; M228-H231 PolarHBondContact O-N 3.31Å; M228-M232 PolarHBondContact O-N 3.42Å
229A96.8Very high93.9Very high37 Ų3727.3 Ų27.331%0.30614%0.144SC..Hα-helixtrans-62.8-34.7177.800000112.4L186 L225 N227 H231 M232 T233L186-A229 HydrophobicContact CD1-CB 4Å; L186-A229 HydrophobicContact CD2-CB 3.79Å; L225-A229 VanDerWaalsContact O-CB 3.29Å; L225-A229 WeakPolarHBondContact O-CB 3.19Å; L225-A229 PolarHBondContact O-N 3.05Å; N227-A229 PolarHBondContact O-N 3.26Å; A229-H231 VanDerWaalsContact C-N 3.35Å; A229-M232 WeakPolarHBondContact O-CB 3.3Å; A229-M232 PolarHBondContact O-N 3.02Å; A229-T233 PolarHBondContact O-N 3.35Å
230F96.8Very high92.8Very high2 Ų233.1 Ų33.11%0.00918%0.175CC..Hα-helixtrans-63.9-43.3176.6-175.3-84000110.5H156 M157 T160 K183 L186 T226 N227 M228 M232 T233H156-F230 AromaticContact CE1-CE1 3.88Å; H156-F230 AromaticContact ND1-CE1 3.94Å; M157-F230 HydrophobicContact CB-CD2 4.43Å; M157-F230 HydrophobicContact CB-CE1 4.39Å; M157-F230 HydrophobicContact CB-CE2 3.96Å; M157-F230 HydrophobicContact CB-CZ 3.95Å; M157-F230 HydrophobicContact CE-CB 3.63Å; M157-F230 HydrophobicContact CE-CD1 4.42Å; M157-F230 HydrophobicContact CE-CD2 3.37Å; M157-F230 HydrophobicContact CE-CE2 4.1Å; M157-F230 HydrophobicContact CE-CG 3.56Å; M157-F230 HydrophobicContact CG-CD1 3.93Å; M157-F230 HydrophobicContact CG-CD2 4Å; M157-F230 HydrophobicContact CG-CE1 3.93Å; M157-F230 HydrophobicContact CG-CE2 3.96Å; M157-F230 HydrophobicContact CG-CG 3.98Å; M157-F230 HydrophobicContact CG-CZ 3.95Å; T160-F230 HydrophobicContact CG2-CE1 4.25Å; T160-F230 HydrophobicContact CG2-CZ 3.76Å; K183-F230 HydrophobicContact CB-CD2 4.21Å; K183-F230 HydrophobicContact CB-CE2 3.6Å; K183-F230 HydrophobicContact CB-CZ 4.18Å; K183-F230 HydrophobicContact CD-CZ 4.36Å; K183-F230 HydrophobicContact CG-CD2 4.35Å; K183-F230 HydrophobicContact CG-CE2 3.89Å; K183-F230 HydrophobicContact CG-CZ 4.12Å; K183-F230 WeakPolarHBondContact O-CE2 3.25Å; L186-F230 HydrophobicContact CB-CB 4.34Å; L186-F230 HydrophobicContact CB-CD2 4.12Å; L186-F230 HydrophobicContact CD1-CB 4.31Å; T226-F230 VanDerWaalsContact O-CB 3.28Å; T226-F230 WeakPolarHBondContact O-CB 3.33Å; T226-F230 PolarHBondContact O-N 3.45Å; N227-F230 WeakPolarHBondContact O-CB 3.45Å; N227-F230 PolarHBondContact O-N 3.17Å; N227-F230 VanDerWaalsContact O-N 3.13Å; M228-F230 VanDerWaalsContact C-N 3.28Å; M228-F230 PolarHBondContact O-N 3.25Å; F230-M232 VanDerWaalsContact C-N 3.31Å; F230-M232 PolarHBondContact O-N 3.06Å; F230-T233 WeakPolarHBondContact O-CB 3.49Å; F230-T233 WeakPolarHBondContact O-CG2 3.28Å; F230-T233 PolarHBondContact O-N 3.05Å; F230-T233 PolarHBondContact O-OG1 3.27Å
231H95.5Very high91.8Very high6 Ų636.9 Ų36.93%0.02819%0.191CC..Hα-helixtrans-70.4-28.4175.8-66.6-63.8000112.7R88 E123 H156 N227 M228 A229 T233 A234R88-H231 PolarHBondContact NH1-CD2 3.47Å; R88-H231 PolarHBondContact NH1-CE1 3.31Å; R88-H231 PolarHBondContact NH1-ND1 3.26Å; R88-H231 PolarHBondContact NH1-NE2 3.06Å; R88-H231 VanDerWaalsContact NH1-NE2 3.1Å; R88-H231 PolarHBondContact NH2-NE2 3.44Å; R88-H231 VanDerWaalsContact NH2-NE2 3.19Å; E123-H231 IonicContact OE1-CD2 3.63Å; E123-H231 IonicContact OE1-CE1 3.84Å; E123-H231 IonicContact OE1-NE2 3.73Å; E123-H231 PolarHBondContact OE1-NE2 3.37Å; E123-H231 IonicContact OE2-CE1 2.8Å; E123-H231 IonicContact OE2-NE2 3.96Å; H156-H231 AromaticContact CE1-CE1 3.98Å; N227-H231 PolarHBondContact O-CD2 3.27Å; N227-H231 PolarHBondContact O-N 3.08Å; N227-H231 VanDerWaalsContact O-N 3.1Å; N227-H231 PolarHBondContact OD1-CD2 2.92Å; M228-H231 PolarHBondContact O-N 3.31Å; A229-H231 VanDerWaalsContact C-N 3.35Å; H231-T233 PolarHBondContact O-N 2.87Å; H231-A234 VanDerWaalsContact O-CB 3.23Å; H231-A234 WeakPolarHBondContact O-CB 3.22Å; H231-A234 PolarHBondContact O-N 2.97Å; H231-A234 VanDerWaalsContact O-N 3.15Å
232M94Very high90.9Very high50 Ų5039.3 Ų39.325%0.24620%0.203CC..Hα-helixtrans-61.7-23.6172.5-164.155.8-169.600113.4L24 V27 M228 A229 F230 A234 W235L24-M232 HydrophobicContact CD1-CE 4.44Å; V27-M232 HydrophobicContact CB-SD 3.94Å; V27-M232 HydrophobicContact CG1-CB 4.36Å; V27-M232 HydrophobicContact CG1-SD 4.32Å; V27-M232 HydrophobicContact CG2-CB 3.85Å; V27-M232 HydrophobicContact CG2-CG 4.36Å; V27-M232 HydrophobicContact CG2-SD 3.81Å; M228-M232 PolarHBondContact O-N 3.42Å; A229-M232 WeakPolarHBondContact O-CB 3.3Å; A229-M232 PolarHBondContact O-N 3.02Å; F230-M232 VanDerWaalsContact C-N 3.31Å; F230-M232 PolarHBondContact O-N 3.06Å; M232-A234 PolarHBondContact O-N 3.37Å; M232-W235 HydrophobicContact CE-CB 4.1Å; M232-W235 HydrophobicContact CE-CD2 4.06Å; M232-W235 HydrophobicContact CE-CE3 3.67Å; M232-W235 HydrophobicContact CE-CG 4.26Å; M232-W235 HydrophobicContact CE-CZ3 4.42Å; M232-W235 WeakPolarHBondContact O-CB 3.19Å; M232-W235 PolarHBondContact O-N 3.45Å
233T93Very high89.6Confident1 Ų140.3 Ų40.31%0.00621%0.206CC..THydrogen-bonded Turntrans-60.2-18.3176.363.90000113.1S179 W182 K183 L186 A229 F230 H231 W235 W236 D237S179-T233 PolarHBondContact OG-O 3.44Å; W182-T233 HydrophobicContact CB-CG2 4.21Å; K183-T233 HydrophobicContact CG-CG2 4.04Å; K183-T233 PolarHBondContact NZ-OG1 3.02Å; L186-T233 HydrophobicContact CD1-CG2 4.08Å; A229-T233 PolarHBondContact O-N 3.35Å; F230-T233 WeakPolarHBondContact O-CB 3.49Å; F230-T233 WeakPolarHBondContact O-CG2 3.28Å; F230-T233 PolarHBondContact O-N 3.05Å; F230-T233 PolarHBondContact O-OG1 3.27Å; H231-T233 PolarHBondContact O-N 2.87Å; T233-W235 PolarHBondContact O-N 3.26Å; T233-W235 VanDerWaalsContact O-N 3.13Å; T233-W236 HydrophobicContact CG2-CE3 4.37Å; T233-W236 HydrophobicContact CG2-CZ3 4.16Å; T233-W236 PolarHBondContact O-N 3.3Å; T233-D237 PolarHBondContact O-N 3Å
234A90.4Very high88.5Confident1 Ų144.1 Ų44.11%0.00823%0.226CC..Hα-helixtrans-57.2-23.2169.800000113.2F19 V91 Y95 H231 M232 W236 D237 F238F19-A234 HydrophobicContact CE1-CB 4.14Å; V91-A234 HydrophobicContact CG1-CB 4.28Å; Y95-A234 HydrophobicContact CE2-CB 3.97Å; Y95-A234 VanDerWaalsContact OH-CA 3.29Å; Y95-A234 WeakPolarHBondContact OH-CA 3.14Å; Y95-A234 WeakPolarHBondContact OH-CB 3.18Å; Y95-A234 PolarHBondContact OH-N 2.79Å; H231-A234 VanDerWaalsContact O-CB 3.23Å; H231-A234 WeakPolarHBondContact O-CB 3.22Å; H231-A234 PolarHBondContact O-N 2.97Å; H231-A234 VanDerWaalsContact O-N 3.15Å; M232-A234 PolarHBondContact O-N 3.37Å; A234-W236 VanDerWaalsContact C-N 3.31Å; A234-W236 PolarHBondContact O-N 3.09Å; A234-D237 PolarHBondContact O-N 3.45Å; A234-F238 HydrophobicContact CB-CD2 4.15Å; A234-F238 PolarHBondContact O-N 3.12Å
235W89.5Confident87.4Confident102 Ų10246.9 Ų46.939%0.38624%0.239SC..Hα-helixtrans-56.6-43.7171.8-179.8-80.9000112.4T20 A23 L24 M232 T233 G239T20-W235 HydrophobicContact CG2-CD2 4.18Å; T20-W235 HydrophobicContact CG2-CE3 4.11Å; T20-W235 HydrophobicContact CG2-CH2 4.08Å; T20-W235 HydrophobicContact CG2-CZ2 4.12Å; T20-W235 HydrophobicContact CG2-CZ3 4.08Å; T20-W235 VanDerWaalsContact O-CZ3 3.31Å; T20-W235 WeakPolarHBondContact O-CZ3 3.43Å; A23-W235 HydrophobicContact CB-CE3 4.42Å; L24-W235 HydrophobicContact CB-CZ3 4.47Å; M232-W235 HydrophobicContact CE-CB 4.1Å; M232-W235 HydrophobicContact CE-CD2 4.06Å; M232-W235 HydrophobicContact CE-CE3 3.67Å; M232-W235 HydrophobicContact CE-CG 4.26Å; M232-W235 HydrophobicContact CE-CZ3 4.42Å; M232-W235 WeakPolarHBondContact O-CB 3.19Å; M232-W235 PolarHBondContact O-N 3.45Å; T233-W235 PolarHBondContact O-N 3.26Å; T233-W235 VanDerWaalsContact O-N 3.13Å; W235-G239 WeakPolarHBondContact O-CA 3.35Å; W235-G239 PolarHBondContact O-N 3.33Å; W235-G239 VanDerWaalsContact O-N 3.09Å
236W87.8Confident86.4Confident63 Ų6347.8 Ų47.824%0.23925%0.248CC..Hα-helixtrans-75.5-40.2177-67.4-50.5000111.2E175 K178 W182 T233 A234 F238E175-W236 HydrophobicContact CB-CB 4.46Å; K178-W236 HydrophobicContact CD-CZ2 4.01Å; K178-W236 VanDerWaalsContact CE-CZ2 3.46Å; K178-W236 HydrophobicContact CG-CH2 4.5Å; K178-W236 HydrophobicContact CG-CZ2 4.41Å; W182-W236 HydrophobicContact CB-CZ3 4Å; W182-W236 AromaticContact CD1-CH2 3.68Å; W182-W236 AromaticContact CD1-CZ3 3.67Å; W182-W236 HydrophobicContact CG-CH2 4.12Å; W182-W236 AromaticContact CG-CZ3 3.89Å; W182-W236 HydrophobicContact CG-CZ3 3.89Å; W182-W236 AromaticContact NE1-CH2 3.99Å; T233-W236 HydrophobicContact CG2-CE3 4.37Å; T233-W236 HydrophobicContact CG2-CZ3 4.16Å; T233-W236 PolarHBondContact O-N 3.3Å; A234-W236 VanDerWaalsContact C-N 3.31Å; A234-W236 PolarHBondContact O-N 3.09Å; W236-F238 VanDerWaalsContact C-N 3.26Å; W236-F238 PolarHBondContact O-N 3.18Å
237D86.5Confident85.2Confident16 Ų1650 Ų509%0.08626%0.264CS..Hα-helixtrans-68.7-26-173.7-58.7-9.4000113.4Y95 W164 S179 K183 T233 A234Y95-D237 HydrophobicContact CE1-CB 4.4Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.42Å; Y95-D237 PolarHBondContact OH-OD2 2.04Å; W164-D237 HydrophobicContact CH2-CB 4.48Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.03Å; W164-D237 HydrophobicContact CZ2-CB 4.39Å; W164-D237 VanDerWaalsContact CZ2-CG 3.46Å; W164-D237 VanDerWaalsContact CZ2-OD2 3.22Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.29Å; S179-D237 WeakPolarHBondContact CB-OD1 3.05Å; S179-D237 PolarHBondContact OG-OD1 2.69Å; K183-D237 VanDerWaalsContact CE-OD2 3.23Å; K183-D237 WeakPolarHBondContact CE-OD2 3.38Å; K183-D237 IonicContact NZ-OD2 3.65Å; K183-D237 PolarHBondContact NZ-OD2 2.97Å; T233-D237 PolarHBondContact O-N 3Å; A234-D237 PolarHBondContact O-N 3.45Å
238F84.7Confident83.6Confident7 Ų757.9 Ų57.93%0.03130%0.3CS..THydrogen-bonded Turntrans-13116.7-173.9-59.5-71.9000113F19 A94 Y95 H98 A234 W236 N240 K241F19-F238 HydrophobicContact CB-CB 4.11Å; F19-F238 HydrophobicContact CD1-CB 3.16Å; F19-F238 AromaticContact CD1-CD2 3.93Å; F19-F238 HydrophobicContact CD1-CD2 3.93Å; F19-F238 AromaticContact CD1-CG 3.79Å; F19-F238 HydrophobicContact CD1-CG 3.79Å; F19-F238 HydrophobicContact CD2-CB 4.32Å; F19-F238 HydrophobicContact CE1-CB 3.51Å; F19-F238 AromaticContact CE1-CD2 3.27Å; F19-F238 HydrophobicContact CE1-CD2 3.27Å; F19-F238 HydrophobicContact CE1-CE2 4.13Å; F19-F238 AromaticContact CE1-CG 3.59Å; F19-F238 HydrophobicContact CE1-CG 3.59Å; F19-F238 HydrophobicContact CE2-CD2 4.43Å; F19-F238 HydrophobicContact CE2-CG 4.4Å; F19-F238 HydrophobicContact CG-CB 3.6Å; F19-F238 HydrophobicContact CG-CG 4.25Å; F19-F238 HydrophobicContact CZ-CB 4.21Å; F19-F238 AromaticContact CZ-CD2 3.55Å; F19-F238 HydrophobicContact CZ-CD2 3.55Å; F19-F238 AromaticContact CZ-CE2 4Å; F19-F238 HydrophobicContact CZ-CE2 4Å; F19-F238 AromaticContact CZ-CG 3.9Å; F19-F238 HydrophobicContact CZ-CG 3.9Å; A94-F238 HydrophobicContact CB-CE1 4.38Å; A94-F238 HydrophobicContact CB-CZ 4.13Å; Y95-F238 AromaticContact CD1-CE2 3.84Å; Y95-F238 HydrophobicContact CD1-CE2 3.84Å; Y95-F238 AromaticContact CD1-CZ 3.87Å; Y95-F238 HydrophobicContact CD1-CZ 3.87Å; Y95-F238 AromaticContact CD2-CE2 3.99Å; Y95-F238 HydrophobicContact CD2-CE2 3.99Å; Y95-F238 HydrophobicContact CD2-CZ 4.46Å; Y95-F238 AromaticContact CE1-CE2 3.67Å; Y95-F238 HydrophobicContact CE1-CE2 3.67Å; Y95-F238 HydrophobicContact CE1-CZ 4.1Å; Y95-F238 AromaticContact CE2-CE2 3.83Å; Y95-F238 HydrophobicContact CE2-CE2 3.83Å; Y95-F238 HydrophobicContact CG-CE2 4.01Å; Y95-F238 HydrophobicContact CG-CZ 4.08Å; Y95-F238 AromaticContact CZ-CE2 3.68Å; H98-F238 HydrophobicContact CB-CE1 4.11Å; H98-F238 HydrophobicContact CB-CZ 4.19Å; A234-F238 HydrophobicContact CB-CD2 4.15Å; A234-F238 PolarHBondContact O-N 3.12Å; W236-F238 VanDerWaalsContact C-N 3.26Å; W236-F238 PolarHBondContact O-N 3.18Å; F238-N240 PolarHBondContact O-N 3.33Å; F238-N240 VanDerWaalsContact O-N 3.08Å; F238-K241 HydrophobicContact CB-CB 4.42Å; F238-K241 HydrophobicContact CD1-CD 3.81Å; F238-K241 HydrophobicContact CD1-CG 4.4Å; F238-K241 HydrophobicContact CE1-CD 4.48Å; F238-K241 PolarHBondContact O-N 2.85Å
239G76.3Confident81.9Confident25 Ų2562.8 Ų62.826%0.25833%0.333SS..THydrogen-bonded Turntrans-54.8-32.6-17400000114.7W235W235-G239 WeakPolarHBondContact O-CA 3.35Å; W235-G239 PolarHBondContact O-N 3.33Å; W235-G239 VanDerWaalsContact O-N 3.09Å
240N75.5Confident80.1Confident152 Ų15269.8 Ų69.881%0.81336%0.359SS*.THydrogen-bonded Turntrans-100.17.7178.9-61.9-40.6000114F238F238-N240 PolarHBondContact O-N 3.33Å; F238-N240 VanDerWaalsContact O-N 3.08Å
241K77.2Confident78Confident96 Ų9677.7 Ų77.742%0.41740%0.397SS..  trans-101148.7-178.8-56.1-157.3-157.8165.20111.5F19 F238F19-K241 VanDerWaalsContact CB-O 3.25Å; F19-K241 WeakPolarHBondContact CB-O 3.2Å; F19-K241 PolarHBondContact N-O 2.99Å; F19-K241 VanDerWaalsContact N-O 3.13Å; F238-K241 HydrophobicContact CB-CB 4.42Å; F238-K241 HydrophobicContact CD1-CD 3.81Å; F238-K241 HydrophobicContact CD1-CG 4.4Å; F238-K241 HydrophobicContact CE1-CD 4.48Å; F238-K241 PolarHBondContact O-N 2.85Å
242E78.5Confident75.9Confident76 Ų7685.4 Ų85.436%0.35543%0.43SS..EExtended strand (participates in β ladder)trans-123.3141.1178.5-63179.8148.300109.7R16 R18R16-E242 IonicContact CZ-OE2 3.05Å; R16-E242 IonicContact NE-OE1 3.94Å; R16-E242 IonicContact NE-OE2 2.68Å; R16-E242 PolarHBondContact NE-OE2 2.79Å; R16-E242 IonicContact NH2-OE1 3.98Å; R16-E242 IonicContact NH2-OE2 2.66Å; R16-E242 PolarHBondContact NH2-OE2 2.81Å; R18-E242 HydrophobicContact CG-CG 4.48Å
243L71.1Confident73.8Confident63 Ų6393.9 Ų93.933%0.3346%0.459SS..EExtended strand (participates in β ladder)trans-86.8121.1169.6-175.872.5000107.9R16 L17R16-L243 WeakPolarHBondContact CA-O 3.48Å; L17-L243 HydrophobicContact CB-CB 4.43Å; L17-L243 PolarHBondContact N-O 3.38Å; L17-L243 PolarHBondContact O-N 2.78Å
244L76.1Confident71.7Confident89 Ų89105.9 Ų105.947%0.46651%0.512SS..EExtended strand (participates in β ladder)trans-112.8121.2177.3-66.9163.1000108.4T13 R16T13-L244 HydrophobicContact CG2-CD2 3.76Å; R16-L244 HydrophobicContact CB-CD2 4.11Å; R16-L244 HydrophobicContact CG-CD2 3.74Å
245I73.9Confident70.8Confident86 Ų86111.1 Ų111.144%0.44154%0.537SS..EExtended strand (participates in β ladder)trans-98.1113.5168.2-57.5-177.7000106.6L14 V15L14-I245 HydrophobicContact CB-CG2 4.41Å; L14-I245 PolarHBondContact N-O 3.2Å; V15-I245 HydrophobicContact CB-CB 4.19Å; V15-I245 HydrophobicContact CB-CD1 4.07Å; V15-I245 HydrophobicContact CB-CG1 4.28Å; V15-I245 HydrophobicContact CG2-CD1 4.44Å; V15-I245 PolarHBondContact N-O 3.36Å; V15-I245 PolarHBondContact O-N 3.5Å
246T78.1Confident69.8Low89 Ų89111.6 Ų111.655%0.54655%0.545SS..EExtended strand (participates in β ladder)trans-109.9145.1-18058.50000111.3G12G12-T246 CarbonylContact O-C 3.48Å; G12-T246 VanDerWaalsContact O-CA 3.23Å; G12-T246 WeakPolarHBondContact O-CA 3.23Å
247S72.3Confident68.8Low58 Ų58114.3 Ų114.341%0.40656%0.562SS.*PPolyproline II helixtrans-66144.5165.5580000109.5G12G12-S247 VanDerWaalsContact CA-OG 3.26Å; G12-S247 WeakPolarHBondContact CA-OG 3.26Å; G12-S247 PolarHBondContact O-N 2.87Å; G12-S247 PolarHBondContact O-OG 2.81Å
248Q65.5Low67.7Low179 Ų179120.1 Ų120.184%0.83659%0.59SS**PPolyproline II helixtrans-60.3137.7171.5-73.7-160.8-16.700109.5E250Q248-E250 PolarHBondContact O-N 3.48Å
249P60.2Low66.7Low121 Ų121127.1 Ų127.179%0.78663%0.625SS**PPolyproline II helixtrans-61.8121.3172.123.6-28.8000108.1E251P249-E251 PolarHBondContact O-N 2.95Å; P249-E251 VanDerWaalsContact O-N 3.1Å
250E59.1Low66Low183 Ų183133.9 Ų133.986%0.85565%0.649SS**PPolyproline II helixtrans-58.8116.6169.4-75.7-176.2158.200107.9Q248 K252Q248-E250 PolarHBondContact O-N 3.48Å; E250-K252 VanDerWaalsContact C-N 3.32Å; E250-K252 PolarHBondContact O-N 2.85Å
251E52.9Low65.4Low169 Ų169132.6 Ų132.679%0.7964%0.637SS**  trans-60.1100.7165.4-87.2-173.316400107.2P249 R253P249-E251 PolarHBondContact O-N 2.95Å; P249-E251 VanDerWaalsContact O-N 3.1Å; E251-R253 VanDerWaalsContact C-N 3.25Å; E251-R253 PolarHBondContact O-N 3Å
252K50.9Low64.5Low167 Ų167135.5 Ų135.573%0.72665%0.654SS**  trans-62.393.3167.3-70.5-175.2179.8178.50107.6E250 F254E250-K252 VanDerWaalsContact C-N 3.32Å; E250-K252 PolarHBondContact O-N 2.85Å; K252-F254 HydrophobicContact CB-CD2 4.08Å; K252-F254 HydrophobicContact CB-CE2 3.75Å; K252-F254 HydrophobicContact CD-CE2 4.01Å; K252-F254 HydrophobicContact CD-CZ 4.25Å; K252-F254 PolarHBondContact O-N 2.82Å; K252-F254 VanDerWaalsContact O-N 3.16Å
253R49.4Very low63.3Low229 Ų229140.4 Ų140.486%0.86468%0.679SS**  trans-68.2104.4163.6-71.3-175-173.7-176.82.5107E251E251-R253 VanDerWaalsContact C-N 3.25Å; E251-R253 PolarHBondContact O-N 3Å
254F49.9Very low62.6Low252 Ų252147.5 Ų147.5100%1.10571%0.711SS**  trans-88.90163.9-75.4-80.7000109.5K252K252-F254 HydrophobicContact CB-CD2 4.08Å; K252-F254 HydrophobicContact CB-CE2 3.75Å; K252-F254 HydrophobicContact CD-CE2 4.01Å; K252-F254 HydrophobicContact CD-CZ 4.25Å; K252-F254 PolarHBondContact O-N 2.82Å; K252-F254 VanDerWaalsContact O-N 3.16Å

Retrieved 254 of 254 residues in 50.1 ms (Link to these results)

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