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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 (By similarity). The fatty acid remodeling steps is critical for the integration of GPI-APs into lipid rafts1.

AlphaFold DB , UniProt , Accession Q9UHJ9, Species HUMAN (Homo sapiens, Human), 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
1M42.2Very low45.7Very low240 Ų240164.4 Ų164.4100%1.18283%0.829SS**  0117.90-96.7174.8-177.500107.6Q3M1-Q3 PolarHBondContact O-N 3.3Å
2Y40.1Very low47.4Very low229 Ų229153.6 Ų153.690%0.89879%0.79SS**  trans-67.9114.8177-77.6-93.7000109.1V4Y2-V4 PolarHBondContact O-N 3.14Å; Y2-V4 VanDerWaalsContact O-N 3.14Å
3Q37.8Very low49.1Very low192 Ų192145.8 Ų145.890%0.89775%0.753SS**  trans-72.2100.4163-95.1173.8-45.200107.1M1M1-Q3 PolarHBondContact O-N 3.3Å
4V41.8Very low51.1Low123 Ų123144.1 Ų144.175%0.74575%0.745SS**  trans-62123.1163.7179.80000106.2Y2 L6Y2-V4 PolarHBondContact O-N 3.14Å; Y2-V4 VanDerWaalsContact O-N 3.14Å; V4-L6 PolarHBondContact O-N 3.05Å
5P45.1Very low53Low112 Ų112138.4 Ų138.473%0.72772%0.719SS**  trans-69.7110.8179.112.6-4.7000107.4P7P5-P7 VanDerWaalsContact O-CD 3.29Å; P5-P7 WeakPolarHBondContact O-CD 3.29Å; P5-P7 VanDerWaalsContact O-N 3.13Å
6L42.2Very low54.7Low155 Ų155137.8 Ų137.881%0.81271%0.705SS**  trans-55.9118162.8-112.2120.3000105.9V4 L8V4-L6 PolarHBondContact O-N 3.05Å; L6-L8 PolarHBondContact O-N 2.68Å
7P43.3Very low56.3Low109 Ų109133.8 Ų133.871%0.70869%0.685SS**  trans-61.2115165.525.9-26.1000104.4P5 D9P5-P7 VanDerWaalsContact O-CD 3.29Å; P5-P7 WeakPolarHBondContact O-CD 3.29Å; P5-P7 VanDerWaalsContact O-N 3.13Å; P7-D9 PolarHBondContact O-N 2.96Å
8L47.8Very low57.9Low168 Ų168135.2 Ų135.288%0.8868%0.68SS**  trans-59.776.3164.7-81.2153.6000106.3L6 R10L6-L8 PolarHBondContact O-N 2.68Å; L8-R10 PolarHBondContact O-N 3.09Å; L8-R10 VanDerWaalsContact O-N 3.09Å
9D49.6Very low59.4Low152 Ų152128.5 Ų128.581%0.81365%0.646SS**  trans-61117167.3-1599.6000104.8P7 D11P7-D9 PolarHBondContact O-N 2.96Å; D9-D11 VanDerWaalsContact C-N 3.31Å; D9-D11 PolarHBondContact O-N 2.78Å
10R53.2Low60.7Low192 Ų192123.2 Ų123.273%0.72562%0.62SS**  trans-73.186.9-152.1-159.9179.4-175.7-173.92.6108.5L8 G12L8-R10 PolarHBondContact O-N 3.09Å; L8-R10 VanDerWaalsContact O-N 3.09Å; R10-G12 PolarHBondContact O-N 3.14Å; R10-G12 VanDerWaalsContact O-N 3.14Å
11D59.8Low61.9Low136 Ų136122.4 Ų122.473%0.72762%0.616SS**THydrogen-bonded Turntrans43.150.1164.4-63.1-37.6000115.7D9 T13D9-D11 VanDerWaalsContact C-N 3.31Å; D9-D11 PolarHBondContact O-N 2.78Å; D11-T13 PolarHBondContact O-N 3.44Å; D11-T13 PolarHBondContact O-OG1 2.92Å
12G65.6Low64Low35 Ų35111.7 Ų111.736%0.36156%0.564SS.*THydrogen-bonded Turntrans50.624.7167.700000115.2R10 L14 T246 S247R10-G12 PolarHBondContact O-N 3.14Å; R10-G12 VanDerWaalsContact O-N 3.14Å; G12-L14 PolarHBondContact O-N 3.18Å; G12-L14 VanDerWaalsContact O-N 3.12Å; G12-T246 CarbonylContact O-C 2.94Å; G12-T246 VanDerWaalsContact O-CA 3.31Å; G12-T246 WeakPolarHBondContact O-CA 3.39Å; G12-S247 WeakPolarHBondContact CA-OG 3.43Å; G12-S247 PolarHBondContact O-N 2.79Å; G12-S247 PolarHBondContact O-OG 2.98Å
13T70.3Confident66.3Low52 Ų52100.8 Ų100.832%0.31952%0.522SS..EExtended strand (participates in β ladder)trans-78.3104.5-172.8-60.80000108.6D11 R16 L244 I245D11-T13 PolarHBondContact O-N 3.44Å; D11-T13 PolarHBondContact O-OG1 2.92Å; T13-R16 HydrophobicContact CG2-CB 4.32Å; T13-L244 HydrophobicContact CG2-CD2 4.1Å; T13-I245 CarbonylContact C-O 3.58Å
14L76.8Confident68.7Low122 Ų12295.6 Ų95.664%0.63950%0.499SS*.EExtended strand (participates in β ladder)trans-75.1-41.6-179.2-63.3173.2000111.5G12 I245G12-L14 PolarHBondContact O-N 3.18Å; G12-L14 VanDerWaalsContact O-N 3.12Å; L14-I245 HydrophobicContact CB-CG2 4.48Å; L14-I245 PolarHBondContact N-O 2.77Å
15V79Confident71Confident59 Ų5992.7 Ų92.736%0.35848%0.482SS..EExtended strand (participates in β ladder)trans-143.9130.8-178-179.60000110L17 I245V15-L17 HydrophobicContact CG1-CD1 3.89Å; V15-L17 HydrophobicContact CG1-CG 3.8Å; V15-I245 HydrophobicContact CB-CB 4.09Å; V15-I245 HydrophobicContact CB-CD1 4.04Å; V15-I245 HydrophobicContact CB-CG1 4.21Å; V15-I245 HydrophobicContact CG1-CD1 4.47Å; V15-I245 HydrophobicContact CG2-CD1 4.4Å; V15-I245 PolarHBondContact N-O 2.75Å; V15-I245 PolarHBondContact O-N 2.98Å
16R80.4Confident73.1Confident129 Ų12987.6 Ų87.649%0.48745%0.449SS..EExtended strand (participates in β ladder)trans-121.7116170.5176.4-179-74.4-1434.8109.2T13 E242 L243 L244T13-R16 HydrophobicContact CG2-CB 4.32Å; R16-E242 WeakPolarHBondContact CD-OE2 3.39Å; R16-E242 HydrophobicContact CG-CB 4.47Å; R16-E242 IonicContact CZ-OE2 2.89Å; R16-E242 IonicContact NE-OE2 3.8Å; R16-E242 PolarHBondContact NE-OE2 3.39Å; R16-E242 IonicContact NH1-OE1 3.98Å; R16-E242 IonicContact NH1-OE2 2.78Å; R16-E242 PolarHBondContact NH1-OE2 2.78Å; R16-L243 WeakPolarHBondContact CA-O 3.12Å; R16-L244 HydrophobicContact CB-CD2 3.84Å; R16-L244 HydrophobicContact CG-CD2 3.64Å; R16-L244 VanDerWaalsContact NE-CD2 3.35Å
17L81.8Confident75.5Confident70 Ų7080.8 Ų80.837%0.36641%0.413SS..EExtended strand (participates in β ladder)trans-122.6133.9178.3-71.8168.2000110V15 F19 E242 L243V15-L17 HydrophobicContact CG1-CD1 3.89Å; V15-L17 HydrophobicContact CG1-CG 3.8Å; L17-F19 PolarHBondContact O-N 3.24Å; L17-E242 CarbonylContact O-C 3.59Å; L17-E242 WeakPolarHBondContact O-CA 3.31Å; L17-L243 HydrophobicContact CB-CB 4.45Å; L17-L243 PolarHBondContact N-O 3.08Å; L17-L243 PolarHBondContact O-N 3.12Å
18R86Confident77.9Confident158 Ų15878 Ų7860%0.59640%0.396SS*.EExtended strand (participates in β ladder)trans-67.2133.2169.7-68.1-175.3175-179.1-0.2108.7T20 M21R18-T20 PolarHBondContact O-N 2.79Å; R18-T20 VanDerWaalsContact O-N 3.15Å; R18-M21 HydrophobicContact CB-CG 4.46Å; R18-M21 WeakPolarHBondContact O-CB 3.42Å; R18-M21 PolarHBondContact O-N 3.22Å
19F86.1Confident80.1Confident8 Ų871 Ų714%0.03536%0.361CS..Hα-helixtrans-61.9-27.8-178.1-163.1-83000112.4L17 M21 V22 A23 L90 V91 A94 A234 F238 K241L17-F19 PolarHBondContact O-N 3.24Å; F19-M21 PolarHBondContact O-N 3.31Å; F19-V22 WeakPolarHBondContact O-CB 3.17Å; F19-V22 PolarHBondContact O-N 2.94Å; F19-A23 PolarHBondContact O-N 2.78Å; F19-L90 HydrophobicContact CE2-CD2 3.96Å; F19-V91 HydrophobicContact CE1-CG2 4.08Å; F19-V91 HydrophobicContact CZ-CB 4.27Å; F19-V91 HydrophobicContact CZ-CG1 4.35Å; F19-V91 HydrophobicContact CZ-CG2 3.72Å; F19-A94 HydrophobicContact CE2-CB 3.43Å; F19-A94 VanDerWaalsContact CE2-CB 3.43Å; F19-A94 HydrophobicContact CZ-CB 3.68Å; F19-A234 HydrophobicContact CE1-CB 4.22Å; F19-F238 HydrophobicContact CB-CB 3.93Å; F19-F238 HydrophobicContact CD1-CB 3.22Å; F19-F238 AromaticContact CD1-CD2 3.74Å; F19-F238 HydrophobicContact CD1-CD2 3.74Å; F19-F238 AromaticContact CD1-CG 3.7Å; F19-F238 HydrophobicContact CD1-CG 3.7Å; F19-F238 HydrophobicContact CD2-CB 4.35Å; F19-F238 HydrophobicContact CD2-CG 4.49Å; F19-F238 HydrophobicContact CE1-CB 3.72Å; F19-F238 AromaticContact CE1-CD2 3.22Å; F19-F238 HydrophobicContact CE1-CD2 3.22Å; F19-F238 AromaticContact CE1-CE2 3.93Å; F19-F238 HydrophobicContact CE1-CE2 3.93Å; F19-F238 AromaticContact CE1-CG 3.63Å; F19-F238 HydrophobicContact CE1-CG 3.63Å; F19-F238 HydrophobicContact CE2-CD2 4.48Å; F19-F238 HydrophobicContact CE2-CG 4.45Å; F19-F238 HydrophobicContact CG-CB 3.56Å; F19-F238 HydrophobicContact CG-CG 4.11Å; F19-F238 HydrophobicContact CZ-CB 4.43Å; F19-F238 AromaticContact CZ-CD2 3.63Å; F19-F238 HydrophobicContact CZ-CD2 3.63Å; F19-F238 AromaticContact CZ-CE2 3.93Å; F19-F238 HydrophobicContact CZ-CE2 3.93Å; F19-F238 HydrophobicContact CZ-CG 4Å; F19-K241 HydrophobicContact CB-CB 4.45Å; F19-K241 WeakPolarHBondContact CB-O 3.03Å; F19-K241 PolarHBondContact N-O 3.02Å
20T85Confident82.4Confident22 Ų2264 Ų6414%0.13532%0.323CS..Hα-helixtrans-57.8-34.4172.8500000113.4R18 A23 L24 W235R18-T20 PolarHBondContact O-N 2.79Å; R18-T20 VanDerWaalsContact O-N 3.15Å; T20-A23 PolarHBondContact O-N 3.23Å; T20-L24 WeakPolarHBondContact O-CB 3.17Å; T20-L24 PolarHBondContact O-N 2.83Å; T20-W235 HydrophobicContact CG2-CD2 3.99Å; T20-W235 HydrophobicContact CG2-CE3 3.95Å; T20-W235 HydrophobicContact CG2-CH2 4.26Å; T20-W235 HydrophobicContact CG2-CZ2 4.26Å; T20-W235 HydrophobicContact CG2-CZ3 4.11Å
21M85.4Confident84.5Confident107 Ų10757.5 Ų57.553%0.52730%0.303SS..Hα-helixtrans-68.6-40.2174.2-67.9175.6167.700111.3R18 F19 L24 V25R18-M21 HydrophobicContact CB-CG 4.46Å; R18-M21 WeakPolarHBondContact O-CB 3.42Å; R18-M21 PolarHBondContact O-N 3.22Å; F19-M21 PolarHBondContact O-N 3.31Å; M21-L24 PolarHBondContact O-N 3.05Å; M21-V25 WeakPolarHBondContact O-CG2 3.42Å; M21-V25 PolarHBondContact O-N 3.15Å
22V87.5Confident86.3Confident16 Ų1655.5 Ų55.510%0.09730%0.295CS..Hα-helixtrans-61.4-48.5174.7-176.90000109.9F19 L24 V25 T26 P87 L90 V91F19-V22 WeakPolarHBondContact O-CB 3.17Å; F19-V22 PolarHBondContact O-N 2.94Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 3.01Å; V22-V25 PolarHBondContact O-N 2.89Å; V22-T26 HydrophobicContact CG1-CG2 4.33Å; V22-T26 WeakPolarHBondContact O-CG2 3.32Å; V22-T26 PolarHBondContact O-N 3.45Å; V22-P87 HydrophobicContact CG1-CB 3.99Å; V22-L90 HydrophobicContact CG1-CD2 4.14Å; V22-V91 HydrophobicContact CG1-CG2 3.99Å
23A87.2Confident87.8Confident0 Ų053.8 Ų53.80%028%0.278CS..Hα-helixtrans-57.8-42.8176.300000111.8F19 T20 V25 T26 V27 A234F19-A23 PolarHBondContact O-N 2.78Å; T20-A23 PolarHBondContact O-N 3.23Å; A23-V25 PolarHBondContact O-N 3.3Å; A23-T26 WeakPolarHBondContact CA-OG1 3.46Å; A23-T26 PolarHBondContact O-N 2.97Å; A23-T26 PolarHBondContact O-OG1 2.87Å; A23-V27 PolarHBondContact O-N 2.98Å; A23-A234 HydrophobicContact CB-CB 4.47Å
24L89.4Confident89.1Confident82 Ų8251.8 Ų51.843%0.42927%0.265SS..Hα-helixtrans-60.3-48.6177.2-168.777.4000111.6T20 M21 V22 T26 V27 C28 M232T20-L24 WeakPolarHBondContact O-CB 3.17Å; T20-L24 PolarHBondContact O-N 2.83Å; M21-L24 PolarHBondContact O-N 3.05Å; V22-L24 VanDerWaalsContact C-N 3.3Å; V22-L24 PolarHBondContact O-N 3.01Å; L24-T26 VanDerWaalsContact C-N 3.3Å; L24-T26 PolarHBondContact O-N 3.4Å; L24-V27 PolarHBondContact O-N 3.37Å; L24-C28 WeakPolarHBondContact CD1-SG 3.4Å; L24-C28 VanDerWaalsContact O-CB 3.25Å; L24-C28 WeakPolarHBondContact O-CB 3.48Å; L24-C28 PolarHBondContact O-N 3.43Å; L24-C28 PolarHBondContact O-SG 3.1Å; L24-M232 HydrophobicContact CD1-CE 4.5Å
25V89Confident90.2Very high62 Ų6250 Ų5038%0.37626%0.256SS..Hα-helixtrans-61.7-39.9178174.10000111.1M21 V22 A23 V27 C29 P87M21-V25 WeakPolarHBondContact O-CG2 3.42Å; M21-V25 PolarHBondContact O-N 3.15Å; V22-V25 PolarHBondContact O-N 2.89Å; A23-V25 PolarHBondContact O-N 3.3Å; V25-V27 PolarHBondContact O-N 3.3Å; V25-V27 VanDerWaalsContact O-N 3.12Å; V25-C29 VanDerWaalsContact O-CB 3.25Å; V25-C29 WeakPolarHBondContact O-CB 3.31Å; V25-C29 PolarHBondContact O-N 3.02Å; V25-P87 HydrophobicContact CG1-CG 4Å
26T89.8Confident91.1Very high5 Ų550.2 Ų50.23%0.03125%0.252CS..Hα-helixtrans-62-21.1-179.664.30000113.7V22 A23 L24 P30 H84 P87 R88 V91V22-T26 HydrophobicContact CG1-CG2 4.33Å; V22-T26 WeakPolarHBondContact O-CG2 3.32Å; V22-T26 PolarHBondContact O-N 3.45Å; A23-T26 WeakPolarHBondContact CA-OG1 3.46Å; A23-T26 PolarHBondContact O-N 2.97Å; A23-T26 PolarHBondContact O-OG1 2.87Å; L24-T26 VanDerWaalsContact C-N 3.3Å; L24-T26 PolarHBondContact O-N 3.4Å; T26-P30 WeakPolarHBondContact O-CD 3.43Å; T26-P30 VanDerWaalsContact O-CG 3.31Å; T26-P30 WeakPolarHBondContact O-CG 3.5Å; T26-H84 PolarHBondContact O-CD2 2.83Å; T26-P87 HydrophobicContact CG2-CB 3.43Å; T26-P87 VanDerWaalsContact CG2-CB 3.43Å; T26-R88 HydrophobicContact CG2-CG 4.28Å; T26-V91 HydrophobicContact CG2-CG2 3.97Å
27V92.8Very high91.9Very high12 Ų1244.1 Ų44.17%0.07323%0.229CC..Hα-helixtrans-116.8-41.5-174.7174.80000112.2A23 L24 V25 C29 P30 L31 M228 H231 M232A23-V27 PolarHBondContact O-N 2.98Å; L24-V27 PolarHBondContact O-N 3.37Å; V25-V27 PolarHBondContact O-N 3.3Å; V25-V27 VanDerWaalsContact O-N 3.12Å; V27-C29 VanDerWaalsContact C-N 3.35Å; V27-C29 PolarHBondContact O-N 3.44Å; V27-P30 VanDerWaalsContact O-CD 3.3Å; V27-P30 WeakPolarHBondContact O-CD 3.16Å; V27-P30 WeakPolarHBondContact O-CG 3.4Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 PolarHBondContact O-N 3.34Å; V27-M228 HydrophobicContact CG1-CB 4.24Å; V27-M228 WeakPolarHBondContact CG2-O 3.45Å; V27-H231 HydrophobicContact CG2-CB 4.49Å; V27-M232 HydrophobicContact CB-SD 4.04Å; V27-M232 HydrophobicContact CG1-CB 4.32Å; V27-M232 HydrophobicContact CG1-SD 4.4Å; V27-M232 HydrophobicContact CG2-CB 3.9Å; V27-M232 HydrophobicContact CG2-CG 4.49Å; V27-M232 HydrophobicContact CG2-SD 4Å
28C93.7Very high92.7Very high51 Ų5141.5 Ų41.535%0.34522%0.215SC..Hα-helixtrans-67-37.9-178.2-66.10000111.9L24 L31 V32L24-C28 WeakPolarHBondContact CD1-SG 3.4Å; L24-C28 VanDerWaalsContact O-CB 3.25Å; L24-C28 WeakPolarHBondContact O-CB 3.48Å; L24-C28 PolarHBondContact O-N 3.43Å; L24-C28 PolarHBondContact O-SG 3.1Å; C28-L31 PolarHBondContact O-N 3.26Å; C28-V32 WeakPolarHBondContact O-CB 3.39Å; C28-V32 VanDerWaalsContact O-CG2 3.25Å; C28-V32 WeakPolarHBondContact O-CG2 3.47Å; C28-V32 PolarHBondContact O-N 2.74Å
29C94.3Very high93.3Very high20 Ų2038.9 Ų38.914%0.13521%0.213CC..Hα-helixtrans-60.3-55.9179.1-1620000111.8V25 V27 L31 A33 C80 H84V25-C29 VanDerWaalsContact O-CB 3.25Å; V25-C29 WeakPolarHBondContact O-CB 3.31Å; V25-C29 PolarHBondContact O-N 3.02Å; V27-C29 VanDerWaalsContact C-N 3.35Å; V27-C29 PolarHBondContact O-N 3.44Å; C29-L31 PolarHBondContact O-N 2.93Å; C29-A33 PolarHBondContact O-N 3.28Å; C29-C80 WeakPolarHBondContact SG-CA 3.47Å; C29-C80 WeakPolarHBondContact SG-CB 3.11Å; C29-C80 PolarHBondContact SG-O 3.3Å; C29-H84 HydrophobicContact CB-CB 4.02Å
30P96.8Very high93.9Very high5 Ų542.5 Ų42.53%0.03223%0.226CC..Hα-helixtrans-68-31.2176.628.2-36.8000113.2T26 V27 A33 F34 I81 M228T26-P30 WeakPolarHBondContact O-CD 3.43Å; T26-P30 VanDerWaalsContact O-CG 3.31Å; T26-P30 WeakPolarHBondContact O-CG 3.5Å; V27-P30 VanDerWaalsContact O-CD 3.3Å; V27-P30 WeakPolarHBondContact O-CD 3.16Å; V27-P30 WeakPolarHBondContact O-CG 3.4Å; P30-A33 PolarHBondContact O-N 3.37Å; P30-F34 VanDerWaalsContact O-CB 3.29Å; P30-F34 WeakPolarHBondContact O-CB 3.44Å; P30-F34 PolarHBondContact O-N 3.3Å; P30-I81 HydrophobicContact CB-CD1 3.82Å; P30-M228 HydrophobicContact CB-CE 4Å
31L97.8Very high94.5Very high57 Ų5741.4 Ų41.430%0.29822%0.22SC..Hα-helixtrans-66.1-45177.5179.162.6000112.4V27 C28 C29 A33 F34 L35 L225 M228V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 PolarHBondContact O-N 3.34Å; C28-L31 PolarHBondContact O-N 3.26Å; C29-L31 PolarHBondContact O-N 2.93Å; L31-A33 VanDerWaalsContact C-N 3.33Å; L31-F34 WeakPolarHBondContact O-CB 3.43Å; L31-F34 PolarHBondContact O-N 3.5Å; L31-L35 HydrophobicContact CD1-CD1 4.33Å; L31-L35 HydrophobicContact CD1-CG 4.35Å; L31-L35 HydrophobicContact CG-CD1 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.26Å; L31-L35 PolarHBondContact O-N 2.92Å; L31-L225 HydrophobicContact CD1-CD2 3.58Å; L31-M228 HydrophobicContact CB-SD 4.11Å; L31-M228 HydrophobicContact CD1-SD 4.28Å
32V97.2Very high95Very high93 Ų9338.8 Ų38.856%0.56421%0.207SC*.Hα-helixtrans-63.3-43.5176.9169.30000110.2C28 L35 F36C28-V32 WeakPolarHBondContact O-CB 3.39Å; C28-V32 VanDerWaalsContact O-CG2 3.25Å; C28-V32 WeakPolarHBondContact O-CG2 3.47Å; C28-V32 PolarHBondContact O-N 2.74Å; V32-L35 PolarHBondContact O-N 3.24Å; V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.32Å; V32-F36 PolarHBondContact O-N 3.02Å
33A97.8Very high95.5Very high0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-60.5-45.517500000112C29 P30 L31 F36 C37 V76 W77 C80C29-A33 PolarHBondContact O-N 3.28Å; P30-A33 PolarHBondContact O-N 3.37Å; L31-A33 VanDerWaalsContact C-N 3.33Å; A33-F36 PolarHBondContact O-N 3.44Å; A33-C37 WeakPolarHBondContact O-CB 3.43Å; A33-C37 PolarHBondContact O-N 3.44Å; A33-C37 PolarHBondContact O-SG 3.5Å; A33-V76 HydrophobicContact CB-CG1 4.44Å; A33-W77 HydrophobicContact CB-CE3 3.84Å; A33-W77 HydrophobicContact CB-CZ3 4.38Å; A33-C80 HydrophobicContact CB-CB 3.6Å
34F98.3Very high96Very high9 Ų950.1 Ų50.14%0.03926%0.261CS..Hα-helixtrans-55.8-54.2176.2174.2-95.9000111.6P30 L31 F36 C37 I38 V63 W77 Y221 V224 L225 M228P30-F34 VanDerWaalsContact O-CB 3.29Å; P30-F34 WeakPolarHBondContact O-CB 3.44Å; P30-F34 PolarHBondContact O-N 3.3Å; L31-F34 WeakPolarHBondContact O-CB 3.43Å; L31-F34 PolarHBondContact O-N 3.5Å; F34-F36 VanDerWaalsContact C-N 3.34Å; F34-F36 PolarHBondContact O-N 2.67Å; F34-C37 PolarHBondContact O-N 3.01Å; F34-I38 HydrophobicContact CD2-CG1 4.42Å; F34-I38 HydrophobicContact CE1-CG1 4.41Å; F34-I38 HydrophobicContact CE2-CG1 4.08Å; F34-I38 HydrophobicContact CZ-CG1 4.06Å; F34-I38 WeakPolarHBondContact O-CG1 3.1Å; F34-I38 PolarHBondContact O-N 2.85Å; F34-V63 HydrophobicContact CD2-CG2 4.18Å; F34-V63 HydrophobicContact CE2-CG2 3.66Å; F34-W77 HydrophobicContact CB-CZ3 3.89Å; F34-W77 HydrophobicContact CD2-CZ3 4.5Å; F34-Y221 AromaticContact CE2-CD1 3.86Å; F34-Y221 HydrophobicContact CE2-CD1 3.86Å; F34-Y221 HydrophobicContact CE2-CE1 4.42Å; F34-Y221 HydrophobicContact CE2-CG 4.16Å; F34-Y221 AromaticContact CZ-CD1 3.78Å; F34-Y221 HydrophobicContact CZ-CD1 3.78Å; F34-Y221 HydrophobicContact CZ-CD2 4.09Å; F34-Y221 HydrophobicContact CZ-CE1 4.43Å; F34-Y221 AromaticContact CZ-CG 3.61Å; F34-Y221 HydrophobicContact CZ-CG 3.61Å; F34-V224 HydrophobicContact CD2-CG1 3.98Å; F34-V224 HydrophobicContact CE2-CG1 4.22Å; F34-L225 HydrophobicContact CD1-CD2 4.04Å; F34-L225 HydrophobicContact CE1-CD1 4.26Å; F34-L225 HydrophobicContact CE1-CD2 3.99Å; F34-L225 HydrophobicContact CE1-CG 4.18Å; F34-L225 HydrophobicContact CZ-CG 4.48Å; F34-M228 HydrophobicContact CB-CE 4.08Å; F34-M228 HydrophobicContact CG-CE 4.49Å
35L98.2Very high96.3Very high86 Ų8648 Ų4845%0.4525%0.249SC..Hα-helixtrans-61-44.3-179.7-67.1174000111.6L31 V32 L39L31-L35 HydrophobicContact CD1-CD1 4.33Å; L31-L35 HydrophobicContact CD1-CG 4.35Å; L31-L35 HydrophobicContact CG-CD1 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.26Å; L31-L35 PolarHBondContact O-N 2.92Å; V32-L35 PolarHBondContact O-N 3.24Å; L35-L39 VanDerWaalsContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CB 3.45Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.47Å
36F98.2Very high96.7Very high62 Ų6249 Ų4927%0.27225%0.249SC..Hα-helixtrans-59.5-50.3176.5176.3-93.2000111.7V32 A33 F34 I38 L39 W40 P72 V76V32-F36 VanDerWaalsContact O-CB 3.28Å; V32-F36 WeakPolarHBondContact O-CB 3.32Å; V32-F36 PolarHBondContact O-N 3.02Å; A33-F36 PolarHBondContact O-N 3.44Å; F34-F36 VanDerWaalsContact C-N 3.34Å; F34-F36 PolarHBondContact O-N 2.67Å; F36-I38 PolarHBondContact O-N 3.21Å; F36-L39 PolarHBondContact O-N 3.24Å; F36-W40 HydrophobicContact CE1-CB 4.33Å; F36-W40 HydrophobicContact CE1-CG 4.46Å; F36-W40 HydrophobicContact CE2-CD2 4.29Å; F36-W40 AromaticContact CE2-CE3 3.64Å; F36-W40 HydrophobicContact CE2-CE3 3.64Å; F36-W40 HydrophobicContact CE2-CZ3 4.24Å; F36-W40 HydrophobicContact CZ-CB 4.3Å; F36-W40 AromaticContact CZ-CD2 3.92Å; F36-W40 HydrophobicContact CZ-CD2 3.92Å; F36-W40 AromaticContact CZ-CE3 3.69Å; F36-W40 HydrophobicContact CZ-CE3 3.69Å; F36-W40 HydrophobicContact CZ-CG 4.19Å; F36-W40 HydrophobicContact CZ-CZ3 4.36Å; F36-W40 WeakPolarHBondContact O-CB 3.35Å; F36-W40 PolarHBondContact O-N 3.01Å; F36-P72 HydrophobicContact CE1-CG 4.05Å; F36-P72 HydrophobicContact CZ-CG 3.79Å; F36-V76 HydrophobicContact CD1-CB 3.87Å; F36-V76 HydrophobicContact CD1-CG1 3.72Å; F36-V76 HydrophobicContact CD1-CG2 3.98Å; F36-V76 HydrophobicContact CE1-CB 3.95Å; F36-V76 HydrophobicContact CE1-CG1 4.24Å; F36-V76 HydrophobicContact CE1-CG2 3.6Å; F36-V76 HydrophobicContact CG-CG1 4.23Å; F36-V76 HydrophobicContact CZ-CG2 4.18Å
37C98.1Very high96.9Very high2 Ų256.5 Ų56.51%0.01428%0.28CS..Hα-helixtrans-62.4-43-176.8-68.20000111.7A33 F34 S41 I67 Q73A33-C37 WeakPolarHBondContact O-CB 3.43Å; A33-C37 PolarHBondContact O-N 3.44Å; A33-C37 PolarHBondContact O-SG 3.5Å; F34-C37 PolarHBondContact O-N 3.01Å; C37-S41 WeakPolarHBondContact O-CB 3.4Å; C37-S41 PolarHBondContact O-N 3.37Å; C37-S41 VanDerWaalsContact O-N 3.07Å; C37-S41 PolarHBondContact O-OG 2.9Å; C37-I67 HydrophobicContact CB-CG2 3.99Å; C37-Q73 HydrophobicContact CB-CB 4.12Å; C37-Q73 HydrophobicContact CB-CG 4.3Å; C37-Q73 PolarHBondContact SG-O 3.29Å; C37-Q73 VanDerWaalsContact SG-O 3.37Å
38I98.3Very high97Very high14 Ų1460.7 Ų60.77%0.07230%0.299CS..Hα-helixtrans-67.3-50.8177.6-60.7-47000110.7F34 F36 W40 S41 L42 P61 A66 Y221F34-I38 HydrophobicContact CD2-CG1 4.42Å; F34-I38 HydrophobicContact CE1-CG1 4.41Å; F34-I38 HydrophobicContact CE2-CG1 4.08Å; F34-I38 HydrophobicContact CZ-CG1 4.06Å; F34-I38 WeakPolarHBondContact O-CG1 3.1Å; F34-I38 PolarHBondContact O-N 2.85Å; F36-I38 PolarHBondContact O-N 3.21Å; I38-W40 PolarHBondContact O-N 3.49Å; I38-S41 PolarHBondContact O-N 3.3Å; I38-L42 HydrophobicContact CG2-CD1 3.95Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.14Å; I38-L42 PolarHBondContact O-N 3.46Å; I38-P61 HydrophobicContact CD1-CG 4.33Å; I38-A66 HydrophobicContact CD1-CB 3.81Å; I38-Y221 HydrophobicContact CD1-CE1 3.72Å; I38-Y221 WeakPolarHBondContact CD1-OH 3.39Å; I38-Y221 HydrophobicContact CG1-CE1 4.25Å; I38-Y221 HydrophobicContact CG1-CE2 4.45Å; I38-Y221 HydrophobicContact CG2-CE2 4.15Å
39L97.9Very high97.1Very high103 Ų10358.4 Ų58.454%0.53928%0.284SS..Hα-helixtrans-62.2-44.9-178.1-70.8172.8000112.2L35 F36 S41 L42 L43L35-L39 VanDerWaalsContact O-CB 3.28Å; L35-L39 WeakPolarHBondContact O-CB 3.45Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.47Å; F36-L39 PolarHBondContact O-N 3.24Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 2.96Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.48Å
40W98.4Very high97.2Very high84 Ų8458 Ų5832%0.31828%0.28SS..Hα-helixtrans-64.3-39.4178.8-166.5-80.2000111.7F36 I38 L43 F44 H45 P72 Q73F36-W40 HydrophobicContact CE1-CB 4.33Å; F36-W40 HydrophobicContact CE1-CG 4.46Å; F36-W40 HydrophobicContact CE2-CD2 4.29Å; F36-W40 AromaticContact CE2-CE3 3.64Å; F36-W40 HydrophobicContact CE2-CE3 3.64Å; F36-W40 HydrophobicContact CE2-CZ3 4.24Å; F36-W40 HydrophobicContact CZ-CB 4.3Å; F36-W40 AromaticContact CZ-CD2 3.92Å; F36-W40 HydrophobicContact CZ-CD2 3.92Å; F36-W40 AromaticContact CZ-CE3 3.69Å; F36-W40 HydrophobicContact CZ-CE3 3.69Å; F36-W40 HydrophobicContact CZ-CG 4.19Å; F36-W40 HydrophobicContact CZ-CZ3 4.36Å; F36-W40 WeakPolarHBondContact O-CB 3.35Å; F36-W40 PolarHBondContact O-N 3.01Å; I38-W40 PolarHBondContact O-N 3.49Å; W40-L43 PolarHBondContact O-N 2.95Å; W40-F44 AromaticContact CD2-CD2 3.59Å; W40-F44 HydrophobicContact CD2-CD2 3.59Å; W40-F44 AromaticContact CD2-CE2 3.94Å; W40-F44 HydrophobicContact CD2-CE2 3.94Å; W40-F44 AromaticContact CE2-CD2 3.49Å; W40-F44 VanDerWaalsContact CE2-CD2 3.49Å; W40-F44 AromaticContact CE3-CD2 4Å; W40-F44 HydrophobicContact CE3-CD2 4Å; W40-F44 AromaticContact CE3-CE2 3.85Å; W40-F44 HydrophobicContact CE3-CE2 3.85Å; W40-F44 AromaticContact CG-CD2 3.96Å; W40-F44 HydrophobicContact CG-CD2 3.96Å; W40-F44 HydrophobicContact CH2-CD2 4.27Å; W40-F44 AromaticContact CH2-CE2 3.97Å; W40-F44 HydrophobicContact CH2-CE2 3.97Å; W40-F44 AromaticContact CZ2-CD2 3.88Å; W40-F44 HydrophobicContact CZ2-CD2 3.88Å; W40-F44 HydrophobicContact CZ2-CE2 4.05Å; W40-F44 HydrophobicContact CZ2-CG 4.41Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-F44 AromaticContact CZ3-CE2 3.86Å; W40-F44 HydrophobicContact CZ3-CE2 3.86Å; W40-F44 AromaticContact NE1-CD2 3.75Å; W40-F44 PolarHBondContact O-N 2.95Å; W40-H45 AromaticContact CD1-CE1 3.89Å; W40-H45 AromaticContact CD1-ND1 3.6Å; W40-H45 AromaticContact NE1-CE1 3.55Å; W40-H45 AromaticContact NE1-ND1 3.72Å; W40-P72 HydrophobicContact CD2-CG 4.35Å; W40-P72 HydrophobicContact CZ2-CG 4.2Å; W40-P72 VanDerWaalsContact NE1-CD 3.34Å; W40-Q73 HydrophobicContact CB-CG 4.04Å; W40-Q73 HydrophobicContact CG-CG 4.26Å
41S97.7Very high97.1Very high0 Ų061 Ų610%031%0.306CS..Hα-helixtrans-63.4-43.1175.4-61.70000111.5C37 I38 L39 L43 H45 F46 Q73C37-S41 WeakPolarHBondContact O-CB 3.4Å; C37-S41 PolarHBondContact O-N 3.37Å; C37-S41 VanDerWaalsContact O-N 3.07Å; C37-S41 PolarHBondContact O-OG 2.9Å; I38-S41 PolarHBondContact O-N 3.3Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 2.96Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 3.43Å; S41-H45 CarbonylContact O-C 3.52Å; S41-H45 WeakPolarHBondContact O-CA 3.18Å; S41-H45 PolarHBondContact O-N 3.06Å; S41-F46 VanDerWaalsContact O-CA 3.28Å; S41-F46 WeakPolarHBondContact O-CA 2.95Å; S41-F46 PolarHBondContact O-N 2.9Å; S41-Q73 PolarHBondContact OG-NE2 3.28Å
42L97.7Very high96.9Very high52 Ų5259.6 Ų59.627%0.27230%0.3SS..Hα-helixtrans-67-32.3178.2-68174.6000113.7I38 L39 F46 Y59 L60I38-L42 HydrophobicContact CG2-CD1 3.95Å; I38-L42 HydrophobicContact CG2-CG 4.41Å; I38-L42 VanDerWaalsContact O-CG 3.31Å; I38-L42 WeakPolarHBondContact O-CG 3.14Å; I38-L42 PolarHBondContact O-N 3.46Å; L39-L42 PolarHBondContact O-N 3.45Å; L42-F46 HydrophobicContact CD2-CD2 3.88Å; L42-F46 HydrophobicContact CD2-CE2 4.07Å; L42-Y59 WeakPolarHBondContact CD2-O 3.3Å; L42-L60 HydrophobicContact CD1-CD2 3.96Å; L42-L60 HydrophobicContact CD2-CD2 4.15Å
43L97.5Very high96.8Very high130 Ų13061.7 Ų61.768%0.68130%0.303SS*.Hα-helixtrans-85.3-39.4-177.3-68.9174000113.3L39 W40 S41L39-L43 VanDerWaalsContact O-CG 3.3Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.48Å; W40-L43 PolarHBondContact O-N 2.95Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 3.43Å
44F97.4Very high96.6Very high123 Ų12362.7 Ų62.754%0.53931%0.31SS..Hα-helixtrans-120.1-21.8-167.7-60-72.9000114.4W40W40-F44 AromaticContact CD2-CD2 3.59Å; W40-F44 HydrophobicContact CD2-CD2 3.59Å; W40-F44 AromaticContact CD2-CE2 3.94Å; W40-F44 HydrophobicContact CD2-CE2 3.94Å; W40-F44 AromaticContact CE2-CD2 3.49Å; W40-F44 VanDerWaalsContact CE2-CD2 3.49Å; W40-F44 AromaticContact CE3-CD2 4Å; W40-F44 HydrophobicContact CE3-CD2 4Å; W40-F44 AromaticContact CE3-CE2 3.85Å; W40-F44 HydrophobicContact CE3-CE2 3.85Å; W40-F44 AromaticContact CG-CD2 3.96Å; W40-F44 HydrophobicContact CG-CD2 3.96Å; W40-F44 HydrophobicContact CH2-CD2 4.27Å; W40-F44 AromaticContact CH2-CE2 3.97Å; W40-F44 HydrophobicContact CH2-CE2 3.97Å; W40-F44 AromaticContact CZ2-CD2 3.88Å; W40-F44 HydrophobicContact CZ2-CD2 3.88Å; W40-F44 HydrophobicContact CZ2-CE2 4.05Å; W40-F44 HydrophobicContact CZ2-CG 4.41Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-F44 AromaticContact CZ3-CE2 3.86Å; W40-F44 HydrophobicContact CZ3-CE2 3.86Å; W40-F44 AromaticContact NE1-CD2 3.75Å; W40-F44 PolarHBondContact O-N 2.95Å
45H96.1Very high96.4Very high37 Ų3765.7 Ų65.717%0.17134%0.344CS..SBendtrans-133.637.5-175.7-56.5104000111.8W40 S41 K47 E48 T49 E70 V71 Q73W40-H45 AromaticContact CD1-CE1 3.89Å; W40-H45 AromaticContact CD1-ND1 3.6Å; W40-H45 AromaticContact NE1-CE1 3.55Å; W40-H45 AromaticContact NE1-ND1 3.72Å; S41-H45 CarbonylContact O-C 3.52Å; S41-H45 WeakPolarHBondContact O-CA 3.18Å; S41-H45 PolarHBondContact O-N 3.06Å; H45-K47 VanDerWaalsContact C-N 3.35Å; H45-K47 PolarHBondContact O-N 3.35Å; H45-E48 VanDerWaalsContact CA-OE2 3.3Å; H45-E48 WeakPolarHBondContact CA-OE2 3.49Å; H45-E48 PolarHBondContact O-N 2.93Å; H45-T49 HydrophobicContact CB-CG2 4.07Å; H45-T49 WeakPolarHBondContact O-CB 3.38Å; H45-T49 WeakPolarHBondContact O-CG2 3.03Å; H45-T49 PolarHBondContact O-N 3.34Å; H45-T49 PolarHBondContact O-OG1 3.26Å; H45-E70 HydrophobicContact CB-CB 4.42Å; H45-E70 HydrophobicContact CB-CG 3.96Å; H45-E70 IonicContact CD2-OE2 2.96Å; H45-E70 IonicContact NE2-OE2 3.34Å; H45-V71 PolarHBondContact CE1-O 3.23Å; H45-Q73 PolarHBondContact ND1-NE2 3.43Å; H45-Q73 VanDerWaalsContact ND1-NE2 3.19Å
46F96.6Very high96.4Very high85 Ų8563.4 Ų63.437%0.37333%0.333SS..Hα-helixtrans-61.5-46.4-170177.3-92.3000110.9S41 L42 T50 N58S41-F46 VanDerWaalsContact O-CA 3.28Å; S41-F46 WeakPolarHBondContact O-CA 2.95Å; S41-F46 PolarHBondContact O-N 2.9Å; L42-F46 HydrophobicContact CD2-CD2 3.88Å; L42-F46 HydrophobicContact CD2-CE2 4.07Å; F46-T50 HydrophobicContact CD2-CG2 4.23Å; F46-T50 HydrophobicContact CE2-CG2 4.04Å; F46-T50 HydrophobicContact CZ-CG2 4.24Å; F46-T50 WeakPolarHBondContact O-CB 3.21Å; F46-T50 WeakPolarHBondContact O-CG2 3.23Å; F46-T50 PolarHBondContact O-N 3.28Å; F46-T50 PolarHBondContact O-OG1 2.87Å; F46-N58 WeakPolarHBondContact CZ-O 3.23Å
47K95.2Very high96.3Very high161 Ų16164.1 Ų64.170%0.734%0.344SS*.Hα-helixtrans-68.9-41.4-175-173.8-179.8178.9-175.60111.2H45 A51H45-K47 VanDerWaalsContact C-N 3.35Å; H45-K47 PolarHBondContact O-N 3.35Å; K47-A51 WeakPolarHBondContact O-CB 3.24Å; K47-A51 PolarHBondContact O-N 2.97Å; K47-A51 VanDerWaalsContact O-N 3.13Å
48E94.3Very high96.2Very high101 Ų10164.3 Ų64.347%0.47235%0.345SS..Hα-helixtrans-68-41.6-177.1-62.767.6-147.500110.6H45 E70H45-E48 VanDerWaalsContact CA-OE2 3.3Å; H45-E48 WeakPolarHBondContact CA-OE2 3.49Å; H45-E48 PolarHBondContact O-N 2.93Å; E48-E70 HydrophobicContact CB-CG 4.43Å
49T95.4Very high96.2Very high2 Ų270.5 Ų70.51%0.01237%0.368CS..Hα-helixtrans-87.3-19.9-175.261.10000113.9H45 P61 S65 E70H45-T49 HydrophobicContact CB-CG2 4.07Å; H45-T49 WeakPolarHBondContact O-CB 3.38Å; H45-T49 WeakPolarHBondContact O-CG2 3.03Å; H45-T49 PolarHBondContact O-N 3.34Å; H45-T49 PolarHBondContact O-OG1 3.26Å; T49-P61 VanDerWaalsContact O-CB 3.28Å; T49-P61 WeakPolarHBondContact O-CB 3.38Å; T49-S65 PolarHBondContact O-OG 2.77Å; T49-S65 VanDerWaalsContact O-OG 3.1Å; T49-E70 HydrophobicContact CG2-CG 4.2Å
50T96.6Very high96.2Very high11 Ų1167.4 Ų67.47%0.06735%0.352CS..Hα-helixtrans-99.2-4.817563.40000113.7F46 T52 N58 P61F46-T50 HydrophobicContact CD2-CG2 4.23Å; F46-T50 HydrophobicContact CE2-CG2 4.04Å; F46-T50 HydrophobicContact CZ-CG2 4.24Å; F46-T50 WeakPolarHBondContact O-CB 3.21Å; F46-T50 WeakPolarHBondContact O-CG2 3.23Å; F46-T50 PolarHBondContact O-N 3.28Å; F46-T50 PolarHBondContact O-OG1 2.87Å; T50-T52 PolarHBondContact O-N 3.03Å; T50-N58 PolarHBondContact O-ND2 3.22Å; T50-P61 HydrophobicContact CG2-CB 4.49Å
51A94.6Very high96.2Very high69 Ų6963.4 Ų63.457%0.5734%0.337SS*.  trans-65.1132.7176.500000111.3K47K47-A51 WeakPolarHBondContact O-CB 3.24Å; K47-A51 PolarHBondContact O-N 2.97Å; K47-A51 VanDerWaalsContact O-N 3.13Å
52T94.5Very high96.1Very high28 Ų2864 Ų6417%0.17234%0.341CS..  trans-131161.5172.567.80000109.5T50 C54 G55 H204 Y213T50-T52 PolarHBondContact O-N 3.03Å; T52-C54 PolarHBondContact O-N 3.18Å; T52-C54 VanDerWaalsContact O-N 3.08Å; T52-G55 PolarHBondContact O-N 3.25Å; T52-H204 PolarHBondContact OG1-NE2 3.42Å; T52-Y213 HydrophobicContact CG2-CD1 3.86Å; T52-Y213 HydrophobicContact CG2-CD2 3.77Å; T52-Y213 HydrophobicContact CG2-CE1 4.07Å; T52-Y213 HydrophobicContact CG2-CE2 3.99Å; T52-Y213 HydrophobicContact CG2-CG 3.7Å
53H93.3Very high96.1Very high136 Ų13662 Ų6263%0.6333%0.331SS*.THydrogen-bonded Turntrans-56.7-25.9178.571.8-84.4000113.4G55 N205H53-G55 VanDerWaalsContact C-N 3.27Å; H53-G55 PolarHBondContact O-N 3.41Å; H53-N205 PolarHBondContact CE1-OD1 3.08Å
54C95.2Very high96Very high22 Ų2256.8 Ų56.815%0.14931%0.306CS..THydrogen-bonded Turntrans-69.4-19.2177.8-69.10000114.1T52 V56 C208T52-C54 PolarHBondContact O-N 3.18Å; T52-C54 VanDerWaalsContact O-N 3.08Å; C54-V56 HydrophobicContact CB-CG1 4.42Å; C54-V56 HydrophobicContact CB-CG2 3.87Å; C54-V56 PolarHBondContact O-N 3.29Å; C54-C208 HydrophobicContact CB-CB 3.48Å; C54-C208 VanDerWaalsContact CB-CB 3.48Å; C54-C208 WeakPolarHBondContact CB-SG 3.3Å; C54-C208 WeakPolarHBondContact SG-CA 3.38Å; C54-C208 WeakPolarHBondContact SG-CB 3.22Å; C54-C208 CovalentContact SG-SG 2.04Å; C54-C208 PolarHBondContact SG-SG 3.44Å
55G94.1Very high95.9Very high72 Ų7252.3 Ų52.374%0.74229%0.289SS*.  trans6411.1-178.400000115.4T52 H53T52-G55 PolarHBondContact O-N 3.25Å; H53-G55 VanDerWaalsContact C-N 3.27Å; H53-G55 PolarHBondContact O-N 3.41Å
56V96.5Very high95.9Very high38 Ų3850.5 Ų50.523%0.2328%0.281CS..  trans-87.5153.3178.8-63.70000112C54 N58 C208 A210C54-V56 HydrophobicContact CB-CG1 4.42Å; C54-V56 HydrophobicContact CB-CG2 3.87Å; C54-V56 PolarHBondContact O-N 3.29Å; V56-N58 PolarHBondContact O-N 2.82Å; V56-N58 PolarHBondContact O-ND2 3Å; V56-C208 WeakPolarHBondContact CG1-O 3.3Å; V56-A210 HydrophobicContact CB-CB 4.46Å
57P96.7Very high95.9Very high76 Ų7647.2 Ų47.249%0.49427%0.267SS..  trans-66.1133.6-177.625.3-33.6000112.2A210 G211P57-A210 HydrophobicContact CG-CB 3.85Å; P57-G211 PolarHBondContact O-N 3.5Å
58N97.3Very high95.5Very high7 Ų739.6 Ų39.64%0.03723%0.234CC..  trans-136.4156.4175.9-61.9-52.5000109.6F46 T50 V56 Y213F46-N58 WeakPolarHBondContact CZ-O 3.23Å; T50-N58 PolarHBondContact O-ND2 3.22Å; V56-N58 PolarHBondContact O-N 2.82Å; V56-N58 PolarHBondContact O-ND2 3Å; N58-Y213 HydrophobicContact CB-CD1 4.04Å; N58-Y213 WeakPolarHBondContact OD1-CB 3.42Å
59Y97.4Very high95Very high143 Ų14336.5 Ų36.556%0.56123%0.23SC*.SBendtrans-123.7-14.3-169.4-52.5-80.5000114.3L42 T214L42-Y59 WeakPolarHBondContact CD2-O 3.3Å; Y59-T214 HydrophobicContact CD2-CG2 4.37Å; Y59-T214 PolarHBondContact N-OG1 3.42Å
60L98.1Very high94.8Very high38 Ų3839.2 Ų39.220%0.19924%0.242CC..SBendtrans-133.5135178.1-66.8172.3000109.8L42 Y213 T214 A217 I218 Y221L42-L60 HydrophobicContact CD1-CD2 3.96Å; L42-L60 HydrophobicContact CD2-CD2 4.15Å; L60-Y213 WeakPolarHBondContact O-CE1 3.31Å; L60-T214 HydrophobicContact CB-CG2 3.94Å; L60-T214 HydrophobicContact CD1-CG2 3.86Å; L60-T214 HydrophobicContact CG-CG2 3.87Å; L60-A217 HydrophobicContact CB-CB 3.93Å; L60-I218 HydrophobicContact CD1-CD1 3.92Å; L60-I218 HydrophobicContact CD1-CG1 3.45Å; L60-I218 VanDerWaalsContact CD1-CG1 3.45Å; L60-Y221 HydrophobicContact CD1-CE2 4.32Å; L60-Y221 HydrophobicContact CD2-CE2 4.44Å
61P97.3Very high94.7Very high0 Ų041.6 Ų41.60%026%0.257CS..  trans-80.2148.1176.632.7-35.8000111.3I38 T49 T50 S65 A66 Y221I38-P61 HydrophobicContact CD1-CG 4.33Å; T49-P61 VanDerWaalsContact O-CB 3.28Å; T49-P61 WeakPolarHBondContact O-CB 3.38Å; T50-P61 HydrophobicContact CG2-CB 4.49Å; P61-S65 WeakPolarHBondContact CB-OG 3.4Å; P61-A66 HydrophobicContact CB-CB 4.39Å; P61-A66 HydrophobicContact CG-CB 4.27Å; P61-Y221 WeakPolarHBondContact CD-OH 3.39Å; P61-Y221 VanDerWaalsContact O-CE1 3.26Å; P61-Y221 WeakPolarHBondContact O-CE1 3.35Å; P61-Y221 VanDerWaalsContact O-CZ 3.25Å; P61-Y221 PolarHBondContact O-OH 3.03Å
62S97Very high94.8Very high12 Ų1240.4 Ų40.48%0.08424%0.243CC..  trans-64.5157.8164.873.20000110.9S64 S65 A66 Y213 E220S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.48Å; S62-S65 PolarHBondContact N-OG 3.41Å; S62-S65 PolarHBondContact O-N 2.92Å; S62-S65 VanDerWaalsContact O-N 3.13Å; S62-S65 PolarHBondContact O-OG 3.1Å; S62-S65 WeakPolarHBondContact OG-CB 3.36Å; S62-S65 PolarHBondContact OG-N 3.01Å; S62-S65 VanDerWaalsContact OG-N 3.15Å; S62-S65 PolarHBondContact OG-OG 3Å; S62-A66 PolarHBondContact O-N 3.27Å; S62-Y213 WeakPolarHBondContact CB-OH 3.3Å; S62-Y213 PolarHBondContact N-OH 3.46Å; S62-Y213 PolarHBondContact OG-OH 3.34Å; S62-E220 WeakPolarHBondContact CA-OE2 3.14Å; S62-E220 WeakPolarHBondContact CB-OE2 3.11Å
63V96.8Very high94.9Very high10 Ų1039 Ų396%0.06124%0.235CC..Hα-helixtrans-58.8-45.5177.8-178.50000110.4F34 S65 A66 I67 W77 E220 Y221 V224F34-V63 HydrophobicContact CD2-CG2 4.18Å; F34-V63 HydrophobicContact CE2-CG2 3.66Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.49Å; V63-A66 PolarHBondContact O-N 2.52Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.87Å; V63-I67 VanDerWaalsContact O-N 3.16Å; V63-W77 HydrophobicContact CG1-CH2 4.07Å; V63-W77 HydrophobicContact CG1-CZ2 4.35Å; V63-W77 HydrophobicContact CG1-CZ3 4.47Å; V63-E220 HydrophobicContact CG2-CG 4.21Å; V63-E220 PolarHBondContact N-OE2 3.12Å; V63-Y221 HydrophobicContact CG2-CD1 3.79Å; V63-Y221 HydrophobicContact CG2-CE1 3.94Å; V63-V224 HydrophobicContact CG2-CG2 4.28Å
64S96.2Very high95Very high22 Ų2234.8 Ų34.815%0.15421%0.213CC..Hα-helixtrans-59.1-38.6176.8-650000113S62 G68 H142S62-S64 VanDerWaalsContact C-N 3.3Å; S62-S64 PolarHBondContact O-N 3.48Å; S64-G68 WeakPolarHBondContact O-CA 3.25Å; S64-G68 PolarHBondContact O-N 3.14Å; S64-H142 WeakPolarHBondContact CB-NE2 3.44Å; S64-H142 PolarHBondContact OG-NE2 3.41Å
65S95.5Very high95.1Very high28 Ų2840.3 Ų40.320%0.19623%0.232CC..Hα-helixtrans-69.8-38.5176.8690000112.5T49 P61 S62 V63 I67 Y213T49-S65 PolarHBondContact O-OG 2.77Å; T49-S65 VanDerWaalsContact O-OG 3.1Å; P61-S65 WeakPolarHBondContact CB-OG 3.4Å; S62-S65 PolarHBondContact N-OG 3.41Å; S62-S65 PolarHBondContact O-N 2.92Å; S62-S65 VanDerWaalsContact O-N 3.13Å; S62-S65 PolarHBondContact O-OG 3.1Å; S62-S65 WeakPolarHBondContact OG-CB 3.36Å; S62-S65 PolarHBondContact OG-N 3.01Å; S62-S65 VanDerWaalsContact OG-N 3.15Å; S62-S65 PolarHBondContact OG-OG 3Å; V63-S65 VanDerWaalsContact C-N 3.3Å; V63-S65 PolarHBondContact O-N 3.49Å; S65-I67 VanDerWaalsContact C-N 3.3Å; S65-I67 PolarHBondContact O-N 3.06Å; S65-Y213 PolarHBondContact OG-OH 3.43Å
66A96.5Very high95.3Very high0 Ų039 Ų390%021%0.209CC..Hα-helixtrans-67.9-27.3-179.600000113.4I38 P61 S62 V63 Q73I38-A66 HydrophobicContact CD1-CB 3.81Å; P61-A66 HydrophobicContact CB-CB 4.39Å; P61-A66 HydrophobicContact CG-CB 4.27Å; S62-A66 PolarHBondContact O-N 3.27Å; V63-A66 PolarHBondContact O-N 2.52Å; A66-Q73 WeakPolarHBondContact O-CB 3.32Å
67I95Very high95.3Very high15 Ų1537.8 Ų37.88%0.07720%0.2CC..Hα-helixtrans-106.4-12.8-177.571.4179.2000114C37 V63 S65 R74 W77C37-I67 HydrophobicContact CB-CG2 3.99Å; V63-I67 WeakPolarHBondContact O-CG1 3.49Å; V63-I67 PolarHBondContact O-N 2.87Å; V63-I67 VanDerWaalsContact O-N 3.16Å; S65-I67 VanDerWaalsContact C-N 3.3Å; S65-I67 PolarHBondContact O-N 3.06Å; I67-R74 WeakPolarHBondContact O-CA 3.25Å; I67-R74 WeakPolarHBondContact O-CB 3.5Å; I67-R74 WeakPolarHBondContact O-CG 3.31Å; I67-W77 HydrophobicContact CB-CB 4.2Å; I67-W77 HydrophobicContact CB-CG 4.07Å; I67-W77 HydrophobicContact CD1-CD2 4.16Å; I67-W77 HydrophobicContact CD1-CG 4.04Å; I67-W77 HydrophobicContact CD1-CZ2 4.42Å; I67-W77 HydrophobicContact CG2-CB 3.88Å; I67-W77 HydrophobicContact CG2-CD2 3.75Å; I67-W77 HydrophobicContact CG2-CE3 3.99Å; I67-W77 HydrophobicContact CG2-CG 3.69Å
68G88.2Confident95.4Very high1 Ų136.1 Ų36.11%0.0118%0.184CC..Hα-helixtrans-83.5-61.4-170.700000113.6S64 R74 S136S64-G68 WeakPolarHBondContact O-CA 3.25Å; S64-G68 PolarHBondContact O-N 3.14Å; G68-R74 WeakPolarHBondContact O-CD 3.48Å; G68-R74 PolarHBondContact O-NH1 2.5Å; G68-S136 PolarHBondContact O-OG 3.19Å; G68-S136 VanDerWaalsContact O-OG 3.13Å
69G83.1Confident95.4Very high37 Ų3742.6 Ų42.638%0.38121%0.213SC..SBendtrans-80.5-46.5-171.200000113.8R74G69-R74 PolarHBondContact O-NH1 3.31Å
70E91.3Very high95.4Very high58 Ų5836.5 Ų36.527%0.27119%0.19SC..  trans-101.5152.3-160.9-55-52.5140.400114.3H45 E48 T49 R74H45-E70 HydrophobicContact CB-CB 4.42Å; H45-E70 HydrophobicContact CB-CG 3.96Å; H45-E70 IonicContact CD2-OE2 2.96Å; H45-E70 IonicContact NE2-OE2 3.34Å; E48-E70 HydrophobicContact CB-CG 4.43Å; T49-E70 HydrophobicContact CG2-CG 4.2Å; E70-R74 WeakPolarHBondContact O-CB 3.07Å; E70-R74 PolarHBondContact O-N 2.97Å
71V95Very high95.4Very high61 Ų6134.8 Ų34.837%0.3718%0.182SC..THydrogen-bonded Turntrans-114.1146.1175-630000109.3H45 Q73 Y75H45-V71 PolarHBondContact CE1-O 3.23Å; V71-Q73 PolarHBondContact O-OE1 3.23Å; V71-Y75 HydrophobicContact CB-CD2 4.17Å; V71-Y75 HydrophobicContact CB-CE2 3.87Å; V71-Y75 HydrophobicContact CG1-CD2 3.9Å; V71-Y75 HydrophobicContact CG1-CE2 3.36Å
72P96.5Very high95.3Very high44 Ų4435.8 Ų35.829%0.28619%0.191SC..THydrogen-bonded Turncis-87.3-1.411.536.4-37000115.6F36 W40 R74 Y75 V76F36-P72 HydrophobicContact CE1-CG 4.05Å; F36-P72 HydrophobicContact CZ-CG 3.79Å; W40-P72 HydrophobicContact CD2-CG 4.35Å; W40-P72 HydrophobicContact CZ2-CG 4.2Å; W40-P72 VanDerWaalsContact NE1-CD 3.34Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 2.69Å; P72-Y75 PolarHBondContact O-N 3.19Å; P72-V76 PolarHBondContact O-N 2.69Å
73Q96.5Very high95.3Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-50.7-49.4-173.6-59.795.4-57.700112.3C37 W40 S41 H45 A66 V71 Y75 V76 W77C37-Q73 HydrophobicContact CB-CB 4.12Å; C37-Q73 HydrophobicContact CB-CG 4.3Å; C37-Q73 PolarHBondContact SG-O 3.29Å; C37-Q73 VanDerWaalsContact SG-O 3.37Å; W40-Q73 HydrophobicContact CB-CG 4.04Å; W40-Q73 HydrophobicContact CG-CG 4.26Å; S41-Q73 PolarHBondContact OG-NE2 3.28Å; H45-Q73 PolarHBondContact ND1-NE2 3.43Å; H45-Q73 VanDerWaalsContact ND1-NE2 3.19Å; A66-Q73 WeakPolarHBondContact O-CB 3.32Å; V71-Q73 PolarHBondContact O-OE1 3.23Å; Q73-Y75 VanDerWaalsContact C-N 3.3Å; Q73-Y75 PolarHBondContact O-N 3.34Å; Q73-V76 PolarHBondContact O-N 3.14Å; Q73-W77 WeakPolarHBondContact O-CB 3.34Å; Q73-W77 PolarHBondContact O-N 2.65Å
74R95.7Very high95.2Very high46 Ų4639.6 Ų39.617%0.17421%0.21CC..Hα-helixtrans-53.4-44.8178-176.5166.562.3-142.5-2.1113.1I67 G68 G69 E70 P72 R78I67-R74 WeakPolarHBondContact O-CA 3.25Å; I67-R74 WeakPolarHBondContact O-CB 3.5Å; I67-R74 WeakPolarHBondContact O-CG 3.31Å; G68-R74 WeakPolarHBondContact O-CD 3.48Å; G68-R74 PolarHBondContact O-NH1 2.5Å; G69-R74 PolarHBondContact O-NH1 3.31Å; E70-R74 WeakPolarHBondContact O-CB 3.07Å; E70-R74 PolarHBondContact O-N 2.97Å; P72-R74 VanDerWaalsContact C-N 3.32Å; P72-R74 PolarHBondContact O-N 2.69Å; R74-R78 WeakPolarHBondContact O-CB 3.18Å; R74-R78 VanDerWaalsContact O-CG 3.29Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 3.31Å
75Y96.5Very high95.2Very high139 Ų13939.5 Ų39.555%0.54521%0.209SC..Hα-helixtrans-71.8-42.9-177.9-59.8-46.9000111.7V71 P72 Q73 W77 R78 F79V71-Y75 HydrophobicContact CB-CD2 4.17Å; V71-Y75 HydrophobicContact CB-CE2 3.87Å; V71-Y75 HydrophobicContact CG1-CD2 3.9Å; V71-Y75 HydrophobicContact CG1-CE2 3.36Å; P72-Y75 PolarHBondContact O-N 3.19Å; Q73-Y75 VanDerWaalsContact C-N 3.3Å; Q73-Y75 PolarHBondContact O-N 3.34Å; Y75-W77 VanDerWaalsContact C-N 3.33Å; Y75-W77 PolarHBondContact O-N 3.45Å; Y75-R78 PolarHBondContact O-N 2.9Å; Y75-F79 VanDerWaalsContact O-CB 3.26Å; Y75-F79 WeakPolarHBondContact O-CB 3.47Å; Y75-F79 PolarHBondContact O-N 3.41Å
76V97.7Very high95.1Very high43 Ų4341.3 Ų41.326%0.26123%0.226SC..Hα-helixtrans-61.6-44.6176.6175.20000110.5A33 F36 P72 Q73 C80A33-V76 HydrophobicContact CB-CG1 4.44Å; F36-V76 HydrophobicContact CD1-CB 3.87Å; F36-V76 HydrophobicContact CD1-CG1 3.72Å; F36-V76 HydrophobicContact CD1-CG2 3.98Å; F36-V76 HydrophobicContact CE1-CB 3.95Å; F36-V76 HydrophobicContact CE1-CG1 4.24Å; F36-V76 HydrophobicContact CE1-CG2 3.6Å; F36-V76 HydrophobicContact CG-CG1 4.23Å; F36-V76 HydrophobicContact CZ-CG2 4.18Å; P72-V76 PolarHBondContact O-N 2.69Å; Q73-V76 PolarHBondContact O-N 3.14Å; V76-C80 WeakPolarHBondContact O-CB 3.24Å; V76-C80 PolarHBondContact O-N 2.96Å; V76-C80 PolarHBondContact O-SG 3.11Å
77W97.8Very high95Very high13 Ų1342.7 Ų42.75%0.04924%0.235CC..Hα-helixtrans-61.3-54.1176.7-175.1-95.1000112.1A33 F34 V63 I67 Q73 Y75 F79 C80 I81 T131A33-W77 HydrophobicContact CB-CE3 3.84Å; A33-W77 HydrophobicContact CB-CZ3 4.38Å; F34-W77 HydrophobicContact CB-CZ3 3.89Å; F34-W77 HydrophobicContact CD2-CZ3 4.5Å; V63-W77 HydrophobicContact CG1-CH2 4.07Å; V63-W77 HydrophobicContact CG1-CZ2 4.35Å; V63-W77 HydrophobicContact CG1-CZ3 4.47Å; I67-W77 HydrophobicContact CB-CB 4.2Å; I67-W77 HydrophobicContact CB-CG 4.07Å; I67-W77 HydrophobicContact CD1-CD2 4.16Å; I67-W77 HydrophobicContact CD1-CG 4.04Å; I67-W77 HydrophobicContact CD1-CZ2 4.42Å; I67-W77 HydrophobicContact CG2-CB 3.88Å; I67-W77 HydrophobicContact CG2-CD2 3.75Å; I67-W77 HydrophobicContact CG2-CE3 3.99Å; I67-W77 HydrophobicContact CG2-CG 3.69Å; Q73-W77 WeakPolarHBondContact O-CB 3.34Å; Q73-W77 PolarHBondContact O-N 2.65Å; Y75-W77 VanDerWaalsContact C-N 3.33Å; Y75-W77 PolarHBondContact O-N 3.45Å; W77-F79 VanDerWaalsContact C-N 3.32Å; W77-F79 PolarHBondContact O-N 3.27Å; W77-C80 PolarHBondContact O-N 3.29Å; W77-I81 HydrophobicContact CD2-CG1 4.13Å; W77-I81 HydrophobicContact CG-CG1 4.31Å; W77-I81 HydrophobicContact CH2-CD1 4.48Å; W77-I81 HydrophobicContact CZ2-CD1 4Å; W77-I81 HydrophobicContact CZ2-CG1 4.11Å; W77-I81 WeakPolarHBondContact O-CB 3.39Å; W77-I81 WeakPolarHBondContact O-CG1 3.25Å; W77-I81 PolarHBondContact O-N 3.17Å; W77-T131 VanDerWaalsContact CD1-CG2 3.42Å; W77-T131 PolarHBondContact NE1-OG1 3.4Å
78R97.5Very high95Very high42 Ų4242.2 Ų42.216%0.15823%0.232CC..Hα-helixtrans-57.5-43.9179.3-75.3175.2174.7174.4-2112.2R74 Y75 G82 T131 Y132 E137R74-R78 WeakPolarHBondContact O-CB 3.18Å; R74-R78 VanDerWaalsContact O-CG 3.29Å; R74-R78 WeakPolarHBondContact O-CG 3.47Å; R74-R78 PolarHBondContact O-N 3.31Å; Y75-R78 PolarHBondContact O-N 2.9Å; R78-G82 PolarHBondContact O-N 3.41Å; R78-T131 HydrophobicContact CB-CG2 4.36Å; R78-T131 HydrophobicContact CG-CG2 3.86Å; R78-T131 PolarHBondContact NE-O 3.23Å; R78-Y132 HydrophobicContact CB-CE1 4.25Å; R78-Y132 HydrophobicContact CG-CD1 4.38Å; R78-Y132 HydrophobicContact CG-CE1 4.38Å; R78-Y132 PolarHBondContact NH2-O 3.37Å; R78-Y132 PolarHBondContact O-OH 2.81Å; R78-E137 IonicContact CZ-OE1 3.68Å; R78-E137 IonicContact NH1-OE1 3.68Å; R78-E137 VanDerWaalsContact NH2-CD 3.29Å; R78-E137 IonicContact NH2-OE1 3.75Å; R78-E137 PolarHBondContact NH2-OE1 3.12Å; R78-E137 IonicContact NH2-OE2 3.86Å; R78-E137 PolarHBondContact NH2-OE2 3.21Å
79F97.4Very high95.4Very high143 Ų14344.3 Ų44.363%0.62724%0.241SC*.Hα-helixtrans-60.3-50.2176.7176.8-100.2000111.7Y75 W77 G82 L83Y75-F79 VanDerWaalsContact O-CB 3.26Å; Y75-F79 WeakPolarHBondContact O-CB 3.47Å; Y75-F79 PolarHBondContact O-N 3.41Å; W77-F79 VanDerWaalsContact C-N 3.32Å; W77-F79 PolarHBondContact O-N 3.27Å; F79-G82 PolarHBondContact O-N 2.64Å; F79-L83 HydrophobicContact CE1-CD2 4.34Å; F79-L83 HydrophobicContact CZ-CD2 4.46Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 3.48Å
80C97.8Very high95.8Very high14 Ų1445.2 Ų45.210%0.09524%0.237CC..Hα-helixtrans-67.3-42.4-176.7-680000112.3C29 A33 V76 W77 L83 H84C29-C80 WeakPolarHBondContact SG-CA 3.47Å; C29-C80 WeakPolarHBondContact SG-CB 3.11Å; C29-C80 PolarHBondContact SG-O 3.3Å; A33-C80 HydrophobicContact CB-CB 3.6Å; V76-C80 WeakPolarHBondContact O-CB 3.24Å; V76-C80 PolarHBondContact O-N 2.96Å; V76-C80 PolarHBondContact O-SG 3.11Å; W77-C80 PolarHBondContact O-N 3.29Å; C80-L83 PolarHBondContact O-N 3.07Å; C80-H84 WeakPolarHBondContact O-CB 3.06Å; C80-H84 PolarHBondContact O-N 3.1Å
81I97.6Very high95.9Very high3 Ų342.6 Ų42.62%0.01523%0.225CC..Hα-helixtrans-66.1-41.6176.1-63.4-59.1000110.9P30 W77 H84 S85 L127 L128 T131P30-I81 HydrophobicContact CB-CD1 3.82Å; W77-I81 HydrophobicContact CD2-CG1 4.13Å; W77-I81 HydrophobicContact CG-CG1 4.31Å; W77-I81 HydrophobicContact CH2-CD1 4.48Å; W77-I81 HydrophobicContact CZ2-CD1 4Å; W77-I81 HydrophobicContact CZ2-CG1 4.11Å; W77-I81 WeakPolarHBondContact O-CB 3.39Å; W77-I81 WeakPolarHBondContact O-CG1 3.25Å; W77-I81 PolarHBondContact O-N 3.17Å; I81-H84 WeakPolarHBondContact CA-ND1 3.33Å; I81-H84 PolarHBondContact O-N 3.43Å; I81-H84 PolarHBondContact O-ND1 3.01Å; I81-S85 WeakPolarHBondContact O-CB 3.35Å; I81-S85 PolarHBondContact O-N 3.04Å; I81-S85 VanDerWaalsContact O-N 3.09Å; I81-L127 HydrophobicContact CG2-CG 4.27Å; I81-L128 HydrophobicContact CG2-CD2 4.27Å; I81-T131 HydrophobicContact CB-CG2 3.82Å; I81-T131 HydrophobicContact CG1-CG2 4.06Å; I81-T131 HydrophobicContact CG2-CG2 3.95Å
82G96.8Very high96Very high20 Ų2039.8 Ų39.821%0.20621%0.208CC..Hα-helixtrans-56.4-51.3173.500000112R78 F79 H84 S85R78-G82 PolarHBondContact O-N 3.41Å; F79-G82 PolarHBondContact O-N 2.64Å; G82-H84 PolarHBondContact O-N 3.13Å; G82-S85 PolarHBondContact O-N 3.36Å; G82-S85 PolarHBondContact O-OG 3.15Å
83L95.2Very high95.9Very high96 Ų9642.7 Ų42.750%0.50322%0.216SC..Hα-helixtrans-62.4-41.6-179.8-177.161.9000112.7F79 C80 S85 P87F79-L83 HydrophobicContact CE1-CD2 4.34Å; F79-L83 HydrophobicContact CZ-CD2 4.46Å; F79-L83 WeakPolarHBondContact O-CB 3.25Å; F79-L83 PolarHBondContact O-N 3.48Å; C80-L83 PolarHBondContact O-N 3.07Å; L83-S85 VanDerWaalsContact C-N 3.32Å; L83-S85 PolarHBondContact O-N 2.9Å; L83-P87 WeakPolarHBondContact O-CD 3.26Å
84H95.6Very high95.7Very high6 Ų643.7 Ų43.73%0.02823%0.225CC..Hα-helixtrans-75.8-19.2-178105.8-65.9000113.5T26 C29 C80 I81 G82 A86 P87 R88T26-H84 PolarHBondContact O-CD2 2.83Å; C29-H84 HydrophobicContact CB-CB 4.02Å; C80-H84 WeakPolarHBondContact O-CB 3.06Å; C80-H84 PolarHBondContact O-N 3.1Å; I81-H84 WeakPolarHBondContact CA-ND1 3.33Å; I81-H84 PolarHBondContact O-N 3.43Å; I81-H84 PolarHBondContact O-ND1 3.01Å; G82-H84 PolarHBondContact O-N 3.13Å; H84-A86 PolarHBondContact O-N 2.93Å; H84-P87 VanDerWaalsContact O-CD 3.26Å; H84-P87 WeakPolarHBondContact O-CD 3.13Å; H84-R88 WeakPolarHBondContact CD2-CG 3.38Å; H84-R88 WeakPolarHBondContact NE2-CD 3.27Å; H84-R88 WeakPolarHBondContact NE2-CG 3.44Å; H84-R88 VanDerWaalsContact O-CG 3.24Å; H84-R88 WeakPolarHBondContact O-CG 3.43Å; H84-R88 PolarHBondContact O-N 3.42Å; H84-R88 VanDerWaalsContact O-N 3.07Å
85S95.8Very high95.6Very high21 Ų2142 Ų4215%0.14722%0.218CC..Hα-helixtrans-61.1-44.8-172.8680000113.2I81 G82 L83 R88 F89I81-S85 WeakPolarHBondContact O-CB 3.35Å; I81-S85 PolarHBondContact O-N 3.04Å; I81-S85 VanDerWaalsContact O-N 3.09Å; G82-S85 PolarHBondContact O-N 3.36Å; G82-S85 PolarHBondContact O-OG 3.15Å; L83-S85 VanDerWaalsContact C-N 3.32Å; L83-S85 PolarHBondContact O-N 2.9Å; S85-R88 WeakPolarHBondContact O-CB 3.47Å; S85-R88 PolarHBondContact O-N 3.43Å; S85-R88 VanDerWaalsContact O-N 3.1Å; S85-F89 WeakPolarHBondContact O-CD2 3.48Å; S85-F89 PolarHBondContact O-N 3Å
86A93.9Very high95.5Very high65 Ų6537.7 Ų37.754%0.53720%0.201SC..Hα-helixtrans-62.3-49.2178.300000112.5H84 R88 F89 L90H84-A86 PolarHBondContact O-N 2.93Å; A86-R88 PolarHBondContact O-N 3.46Å; A86-F89 PolarHBondContact O-N 3.32Å; A86-L90 PolarHBondContact O-N 3.09Å
87P93.5Very high95.2Very high29 Ų2940.3 Ų40.319%0.18821%0.214CC..Hα-helixtrans-51.7-38168.6-30.834.8000114.3V22 V25 T26 L83 H84 L90 V91V22-P87 HydrophobicContact CG1-CB 3.99Å; V25-P87 HydrophobicContact CG1-CG 4Å; T26-P87 HydrophobicContact CG2-CB 3.43Å; T26-P87 VanDerWaalsContact CG2-CB 3.43Å; L83-P87 WeakPolarHBondContact O-CD 3.26Å; H84-P87 VanDerWaalsContact O-CD 3.26Å; H84-P87 WeakPolarHBondContact O-CD 3.13Å; P87-L90 WeakPolarHBondContact O-CB 3.41Å; P87-L90 PolarHBondContact O-N 3.45Å; P87-V91 VanDerWaalsContact O-CG2 3.32Å; P87-V91 WeakPolarHBondContact O-CG2 3.31Å; P87-V91 PolarHBondContact O-N 2.98Å
88R95.8Very high94.8Very high5 Ų541.5 Ų41.52%0.01922%0.219CC..Hα-helixtrans-67.9-44.5179.1-66.7-87.8-69.3137.6-4.4112.9T26 H84 S85 A86 L90 V91 A92 E123 N124 H231T26-R88 HydrophobicContact CG2-CG 4.28Å; H84-R88 WeakPolarHBondContact CD2-CG 3.38Å; H84-R88 WeakPolarHBondContact NE2-CD 3.27Å; H84-R88 WeakPolarHBondContact NE2-CG 3.44Å; H84-R88 VanDerWaalsContact O-CG 3.24Å; H84-R88 WeakPolarHBondContact O-CG 3.43Å; H84-R88 PolarHBondContact O-N 3.42Å; H84-R88 VanDerWaalsContact O-N 3.07Å; S85-R88 WeakPolarHBondContact O-CB 3.47Å; S85-R88 PolarHBondContact O-N 3.43Å; S85-R88 VanDerWaalsContact O-N 3.1Å; A86-R88 PolarHBondContact O-N 3.46Å; R88-L90 VanDerWaalsContact C-N 3.26Å; R88-L90 PolarHBondContact O-N 3.23Å; R88-V91 PolarHBondContact O-N 2.97Å; R88-A92 PolarHBondContact O-N 3.31Å; R88-E123 IonicContact NH2-OE1 2.79Å; R88-E123 PolarHBondContact NH2-OE1 3.44Å; R88-E123 IonicContact NH2-OE2 3.91Å; R88-N124 WeakPolarHBondContact CB-OD1 3.42Å; R88-N124 PolarHBondContact NE-OD1 3.09Å; R88-N124 VanDerWaalsContact NE-OD1 3.09Å; R88-H231 VanDerWaalsContact CZ-CD2 3.49Å; R88-H231 PolarHBondContact NH1-CD2 3.44Å; R88-H231 VanDerWaalsContact NH1-CD2 3.26Å; R88-H231 PolarHBondContact NH1-CE1 2.68Å; R88-H231 PolarHBondContact NH1-ND1 3.34Å; R88-H231 PolarHBondContact NH1-NE2 3.48Å; R88-H231 PolarHBondContact NH2-CD2 3.32Å; R88-H231 PolarHBondContact NH2-CE1 3.33Å; R88-H231 PolarHBondContact NH2-NE2 3.03Å
89F96Very high94.5Very high46 Ų4639.6 Ų39.620%0.20221%0.212CC..Hα-helixtrans-59.8-41.6173.4-73.3-66.4000110.8S85 A86 V91 A92 F93 V121 N124 L125 L128S85-F89 WeakPolarHBondContact O-CD2 3.48Å; S85-F89 PolarHBondContact O-N 3Å; A86-F89 PolarHBondContact O-N 3.32Å; F89-V91 VanDerWaalsContact C-N 3.34Å; F89-V91 PolarHBondContact O-N 3.4Å; F89-A92 WeakPolarHBondContact O-CB 3.44Å; F89-A92 PolarHBondContact O-N 2.87Å; F89-A92 VanDerWaalsContact O-N 3.13Å; F89-F93 WeakPolarHBondContact O-CD2 3.37Å; F89-F93 PolarHBondContact O-N 3.42Å; F89-V121 HydrophobicContact CE1-CG1 4.27Å; F89-N124 HydrophobicContact CD1-CB 4.3Å; F89-N124 HydrophobicContact CE1-CB 3.64Å; F89-N124 HydrophobicContact CE2-CB 4.19Å; F89-N124 HydrophobicContact CZ-CB 3.57Å; F89-L125 HydrophobicContact CE1-CG 4.44Å; F89-L125 HydrophobicContact CZ-CD2 4.01Å; F89-L125 HydrophobicContact CZ-CG 4.21Å; F89-L128 HydrophobicContact CE2-CD1 4.14Å; F89-L128 HydrophobicContact CZ-CD1 4.4Å
90L93Very high94Very high55 Ų5536.6 Ų36.629%0.28820%0.203SC..Hα-helixtrans-58.8-45175.1-170.3148.7000112F19 V22 A86 P87 R88 A92 F93 A94 L243F19-L90 HydrophobicContact CE2-CD2 3.96Å; V22-L90 HydrophobicContact CG1-CD2 4.14Å; A86-L90 PolarHBondContact O-N 3.09Å; P87-L90 WeakPolarHBondContact O-CB 3.41Å; P87-L90 PolarHBondContact O-N 3.45Å; R88-L90 VanDerWaalsContact C-N 3.26Å; R88-L90 PolarHBondContact O-N 3.23Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.48Å; L90-F93 PolarHBondContact O-N 3.34Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.06Å; L90-L243 HydrophobicContact CD1-CD1 4.01Å; L90-L243 HydrophobicContact CD1-CD2 3.45Å; L90-L243 VanDerWaalsContact CD1-CD2 3.45Å; L90-L243 HydrophobicContact CD1-CG 4.37Å; L90-L243 HydrophobicContact CD2-CD1 4.17Å; L90-L243 HydrophobicContact CD2-CD2 4.27Å; L90-L243 HydrophobicContact CG-CD1 4.45Å; L90-L243 HydrophobicContact CG-CD2 4.49Å
91V93.5Very high93.5Very high3 Ų340.2 Ų40.22%0.01823%0.228CC..Hα-helixtrans-61.1-40175.61710000111.1F19 V22 T26 P87 R88 F89 F93 A94 Y95 A234F19-V91 HydrophobicContact CE1-CG2 4.08Å; F19-V91 HydrophobicContact CZ-CB 4.27Å; F19-V91 HydrophobicContact CZ-CG1 4.35Å; F19-V91 HydrophobicContact CZ-CG2 3.72Å; V22-V91 HydrophobicContact CG1-CG2 3.99Å; T26-V91 HydrophobicContact CG2-CG2 3.97Å; P87-V91 VanDerWaalsContact O-CG2 3.32Å; P87-V91 WeakPolarHBondContact O-CG2 3.31Å; P87-V91 PolarHBondContact O-N 2.98Å; R88-V91 PolarHBondContact O-N 2.97Å; F89-V91 VanDerWaalsContact C-N 3.34Å; F89-V91 PolarHBondContact O-N 3.4Å; V91-F93 PolarHBondContact O-N 3.48Å; V91-A94 PolarHBondContact O-N 2.91Å; V91-Y95 HydrophobicContact CG1-CD2 3.71Å; V91-Y95 HydrophobicContact CG1-CE2 3.63Å; V91-Y95 WeakPolarHBondContact O-CD2 3.24Å; V91-Y95 PolarHBondContact O-N 3.37Å; V91-A234 HydrophobicContact CG1-CB 4.44Å
92A95.7Very high92.9Very high2 Ų241.6 Ų41.62%0.01724%0.237CC..Hα-helixtrans-59.6-45.6175.300000111.8R88 F89 L90 Y95 W96 F117 N120R88-A92 PolarHBondContact O-N 3.31Å; F89-A92 WeakPolarHBondContact O-CB 3.44Å; F89-A92 PolarHBondContact O-N 2.87Å; F89-A92 VanDerWaalsContact O-N 3.13Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.48Å; A92-Y95 PolarHBondContact O-N 3.14Å; A92-W96 WeakPolarHBondContact O-CB 3.3Å; A92-W96 PolarHBondContact O-N 3.35Å; A92-F117 HydrophobicContact CB-CD2 4.3Å; A92-F117 HydrophobicContact CB-CE2 4.13Å; A92-N120 HydrophobicContact CB-CB 4.37Å; A92-N120 WeakPolarHBondContact CB-OD1 3.44Å
93F94.4Very high92Very high106 Ų10647.2 Ų47.247%0.46527%0.268SS..Hα-helixtrans-65.5-37.6175-76.2-71.4000112.7F89 L90 V91 W96 N97 F117F89-F93 WeakPolarHBondContact O-CD2 3.37Å; F89-F93 PolarHBondContact O-N 3.42Å; L90-F93 PolarHBondContact O-N 3.34Å; V91-F93 PolarHBondContact O-N 3.48Å; F93-W96 WeakPolarHBondContact O-CB 3.36Å; F93-W96 PolarHBondContact O-N 3.21Å; F93-N97 PolarHBondContact O-N 3Å; F93-N97 PolarHBondContact O-ND2 2.89Å; F93-F117 AromaticContact CD1-CE2 3.83Å; F93-F117 HydrophobicContact CD1-CE2 3.83Å; F93-F117 AromaticContact CD1-CZ 3.81Å; F93-F117 HydrophobicContact CD1-CZ 3.81Å; F93-F117 HydrophobicContact CE1-CE1 4.48Å; F93-F117 AromaticContact CE1-CE2 3.97Å; F93-F117 HydrophobicContact CE1-CE2 3.97Å; F93-F117 AromaticContact CE1-CZ 3.46Å; F93-F117 HydrophobicContact CE1-CZ 3.46Å; F93-F117 VanDerWaalsContact CE1-CZ 3.46Å; F93-F117 HydrophobicContact CG-CE2 4.19Å; F93-F117 HydrophobicContact CG-CZ 4.49Å; F93-F117 HydrophobicContact CZ-CE2 4.42Å; F93-F117 AromaticContact CZ-CZ 3.86Å; F93-F117 HydrophobicContact CZ-CZ 3.86Å
94A92.5Very high91.3Very high21 Ų2144.1 Ų44.117%0.17425%0.254CS..Hα-helixtrans-63.2-44.3176.400000111.7F19 L90 V91 N97 H98 F238F19-A94 HydrophobicContact CE2-CB 3.43Å; F19-A94 VanDerWaalsContact CE2-CB 3.43Å; F19-A94 HydrophobicContact CZ-CB 3.68Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.06Å; V91-A94 PolarHBondContact O-N 2.91Å; A94-N97 PolarHBondContact O-N 3.08Å; A94-H98 VanDerWaalsContact O-CB 3.31Å; A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.41Å; A94-F238 HydrophobicContact CB-CE1 4.4Å; A94-F238 HydrophobicContact CB-CZ 4.18Å
95Y93Very high90.3Very high9 Ų950.1 Ų50.14%0.03529%0.294CS..Hα-helixtrans-63.3-41.6172.7-85.9-66.5000112.5V91 A92 N97 H98 Y99 K183 A234 D237 F238V91-Y95 HydrophobicContact CG1-CD2 3.71Å; V91-Y95 HydrophobicContact CG1-CE2 3.63Å; V91-Y95 WeakPolarHBondContact O-CD2 3.24Å; V91-Y95 PolarHBondContact O-N 3.37Å; A92-Y95 PolarHBondContact O-N 3.14Å; Y95-N97 PolarHBondContact O-N 3.39Å; Y95-H98 WeakPolarHBondContact O-CB 3.31Å; Y95-H98 PolarHBondContact O-N 3.23Å; Y95-Y99 HydrophobicContact CD1-CE2 4.09Å; Y95-Y99 AromaticContact CD1-CZ 3.88Å; Y95-Y99 HydrophobicContact CG-CE2 4.39Å; Y95-Y99 WeakPolarHBondContact O-CB 3.41Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.26Å; Y95-Y99 VanDerWaalsContact O-CG 3.28Å; Y95-Y99 PolarHBondContact O-N 3.07Å; Y95-K183 PolarHBondContact OH-NZ 3.4Å; Y95-A234 HydrophobicContact CE2-CB 4.14Å; Y95-A234 VanDerWaalsContact OH-CA 3.3Å; Y95-A234 WeakPolarHBondContact OH-CA 3.33Å; Y95-A234 WeakPolarHBondContact OH-CB 3.21Å; Y95-D237 HydrophobicContact CE1-CB 4.32Å; Y95-D237 VanDerWaalsContact CE1-OD2 3.31Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.41Å; Y95-D237 VanDerWaalsContact CZ-OD2 3.3Å; Y95-D237 PolarHBondContact OH-OD2 3.39Å; Y95-F238 AromaticContact CD1-CE2 3.89Å; Y95-F238 HydrophobicContact CD1-CE2 3.89Å; Y95-F238 AromaticContact CD1-CZ 3.78Å; Y95-F238 HydrophobicContact CD1-CZ 3.78Å; Y95-F238 HydrophobicContact CD2-CE2 4.01Å; Y95-F238 HydrophobicContact CD2-CZ 4.37Å; Y95-F238 AromaticContact CE1-CE2 3.61Å; Y95-F238 HydrophobicContact CE1-CE2 3.61Å; Y95-F238 AromaticContact CE1-CZ 3.92Å; Y95-F238 HydrophobicContact CE1-CZ 3.92Å; Y95-F238 AromaticContact CE2-CE2 3.77Å; Y95-F238 HydrophobicContact CE2-CE2 3.77Å; Y95-F238 HydrophobicContact CG-CE2 4.07Å; Y95-F238 HydrophobicContact CG-CZ 4.01Å; Y95-F238 AromaticContact CZ-CE2 3.56Å
96W94.3Very high89.7Confident50 Ų5051.4 Ų51.419%0.18930%0.302CS..Hα-helixtrans-56.2-51.3175.6169.4-107.4000111.8A92 F93 H98 Y99 L100 C113 R114 F117A92-W96 WeakPolarHBondContact O-CB 3.3Å; A92-W96 PolarHBondContact O-N 3.35Å; F93-W96 WeakPolarHBondContact O-CB 3.36Å; F93-W96 PolarHBondContact O-N 3.21Å; W96-H98 VanDerWaalsContact C-N 3.34Å; W96-H98 PolarHBondContact O-N 3.38Å; W96-Y99 PolarHBondContact O-N 2.88Å; W96-L100 HydrophobicContact CD2-CD1 4.21Å; W96-L100 HydrophobicContact CD2-CG 4.29Å; W96-L100 VanDerWaalsContact CE2-CD1 3.47Å; W96-L100 HydrophobicContact CH2-CD1 4.34Å; W96-L100 HydrophobicContact CH2-CD2 3.92Å; W96-L100 HydrophobicContact CH2-CG 4.28Å; W96-L100 HydrophobicContact CZ2-CD1 3.59Å; W96-L100 HydrophobicContact CZ2-CD2 3.99Å; W96-L100 HydrophobicContact CZ2-CG 4Å; W96-L100 HydrophobicContact CZ3-CD2 4.37Å; W96-L100 WeakPolarHBondContact O-CG 3.38Å; W96-L100 PolarHBondContact O-N 3.49Å; W96-C113 HydrophobicContact CE3-CB 4.45Å; W96-C113 HydrophobicContact CZ3-CB 3.97Å; W96-R114 HydrophobicContact CH2-CB 4.41Å; W96-R114 HydrophobicContact CH2-CG 3.4Å; W96-R114 HydrophobicContact CZ3-CB 4.21Å; W96-R114 HydrophobicContact CZ3-CG 3.63Å; W96-F117 HydrophobicContact CB-CB 4.42Å; W96-F117 HydrophobicContact CB-CD2 3.69Å; W96-F117 HydrophobicContact CB-CE2 4.21Å; W96-F117 HydrophobicContact CB-CG 4.13Å; W96-F117 HydrophobicContact CD2-CB 4.35Å; W96-F117 HydrophobicContact CD2-CG 4.29Å; W96-F117 HydrophobicContact CE3-CB 3.76Å; W96-F117 HydrophobicContact CE3-CG 4.18Å; W96-F117 HydrophobicContact CG-CD2 4.23Å; W96-F117 HydrophobicContact CG-CG 4.31Å; W96-F117 HydrophobicContact CZ3-CB 4.5Å
97N91.4Very high89.4Confident98 Ų9853.9 Ų53.952%0.52432%0.316SS..Hα-helixtrans-63.8-40177.7-70.6-31.4000112F93 A94 Y95 Y99 L100 S101F93-N97 PolarHBondContact O-N 3Å; F93-N97 PolarHBondContact O-ND2 2.89Å; A94-N97 PolarHBondContact O-N 3.08Å; Y95-N97 PolarHBondContact O-N 3.39Å; N97-Y99 PolarHBondContact O-N 3.12Å; N97-L100 PolarHBondContact O-N 3.11Å; N97-S101 PolarHBondContact O-N 3.05Å
98H89.9Confident89.2Confident37 Ų3754.7 Ų54.717%0.17132%0.322CS..Hα-helixtrans-58.5-48.7174.8-179.768.9000111.5A94 Y95 W96 L100 S101 C102 F238A94-H98 VanDerWaalsContact O-CB 3.31Å; A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.41Å; Y95-H98 WeakPolarHBondContact O-CB 3.31Å; Y95-H98 PolarHBondContact O-N 3.23Å; W96-H98 VanDerWaalsContact C-N 3.34Å; W96-H98 PolarHBondContact O-N 3.38Å; H98-L100 PolarHBondContact O-N 2.54Å; H98-S101 PolarHBondContact O-N 2.81Å; H98-S101 PolarHBondContact O-OG 3.07Å; H98-C102 PolarHBondContact O-N 2.95Å; H98-C102 PolarHBondContact O-SG 3.5Å; H98-F238 HydrophobicContact CB-CE1 4.05Å; H98-F238 HydrophobicContact CB-CZ 4.23Å
99Y90.8Very high89Confident2 Ų254.9 Ų54.91%0.00832%0.322CS..Hα-helixtrans-66.4-36.9179.4-65.7-42.4000112.5Y95 W96 N97 S101 C102 Y109 L163 W164Y95-Y99 HydrophobicContact CD1-CE2 4.09Å; Y95-Y99 AromaticContact CD1-CZ 3.88Å; Y95-Y99 HydrophobicContact CG-CE2 4.39Å; Y95-Y99 WeakPolarHBondContact O-CB 3.41Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.26Å; Y95-Y99 VanDerWaalsContact O-CG 3.28Å; Y95-Y99 PolarHBondContact O-N 3.07Å; W96-Y99 PolarHBondContact O-N 2.88Å; N97-Y99 PolarHBondContact O-N 3.12Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 3.08Å; Y99-C102 PolarHBondContact O-N 3.28Å; Y99-Y109 WeakPolarHBondContact CA-OH 3.13Å; Y99-Y109 WeakPolarHBondContact O-CE1 3.25Å; Y99-Y109 PolarHBondContact O-OH 3.2Å; Y99-L163 HydrophobicContact CD2-CD1 4.15Å; Y99-L163 HydrophobicContact CE1-CB 4.26Å; Y99-L163 HydrophobicContact CE2-CD1 3.98Å; Y99-W164 PolarHBondContact OH-NE1 3.13Å; Y99-W164 VanDerWaalsContact OH-NE1 3.14Å
100L88.2Confident88.9Confident81 Ų8160.7 Ų60.742%0.42434%0.343SS..Hα-helixtrans-65.2-32174.1-73.3-176.5000113.3W96 N97 H98 C102W96-L100 HydrophobicContact CD2-CD1 4.21Å; W96-L100 HydrophobicContact CD2-CG 4.29Å; W96-L100 VanDerWaalsContact CE2-CD1 3.47Å; W96-L100 HydrophobicContact CH2-CD1 4.34Å; W96-L100 HydrophobicContact CH2-CD2 3.92Å; W96-L100 HydrophobicContact CH2-CG 4.28Å; W96-L100 HydrophobicContact CZ2-CD1 3.59Å; W96-L100 HydrophobicContact CZ2-CD2 3.99Å; W96-L100 HydrophobicContact CZ2-CG 4Å; W96-L100 HydrophobicContact CZ3-CD2 4.37Å; W96-L100 WeakPolarHBondContact O-CG 3.38Å; W96-L100 PolarHBondContact O-N 3.49Å; N97-L100 PolarHBondContact O-N 3.11Å; H98-L100 PolarHBondContact O-N 2.54Å; L100-C102 PolarHBondContact O-N 3.39Å
101S86.6Confident89Confident90 Ų9061.5 Ų61.563%0.62935%0.351SS*.Hα-helixtrans-71.8-19.117775.40000113.5N97 H98 Y99N97-S101 PolarHBondContact O-N 3.05Å; H98-S101 PolarHBondContact O-N 2.81Å; H98-S101 PolarHBondContact O-OG 3.07Å; Y99-S101 VanDerWaalsContact C-N 3.29Å; Y99-S101 PolarHBondContact O-N 3.08Å
102C85.2Confident89.1Confident31 Ų3163.1 Ų63.121%0.20936%0.36CS..SBendtrans-85.2139.7179.8-63.20000111.4H98 Y99 L100 Y109 T167H98-C102 PolarHBondContact O-N 2.95Å; H98-C102 PolarHBondContact O-SG 3.5Å; Y99-C102 PolarHBondContact O-N 3.28Å; L100-C102 PolarHBondContact O-N 3.39Å; C102-Y109 WeakPolarHBondContact CB-OH 3.18Å; C102-T167 HydrophobicContact CB-CG2 3.87Å
103T78.1Confident89.1Confident139 Ų13963.1 Ų63.185%0.85336%0.359SS*.  trans-92.5103.7177.345.10000111.5
104S79.2Confident89.2Confident31 Ų3165.5 Ų65.522%0.21737%0.366CS..  trans-81.1115.4168.5171.20000115.8C106S104-C106 PolarHBondContact O-N 3.29Å; S104-C106 PolarHBondContact OG-N 2.84Å
105P75.6Confident89.5Confident132 Ų13269 Ų6986%0.85738%0.381SS*.SBendtrans-70.1-13.8165.126.5-31.9000113.4
106C83.4Confident89.7Confident47 Ų4768.8 Ų68.832%0.31838%0.38SS..SBendtrans-74.3127.1175.8-165.70000111.3S104 C108 Y109S104-C106 PolarHBondContact O-N 3.29Å; S104-C106 PolarHBondContact OG-N 2.84Å; C106-C108 HydrophobicContact CB-CB 4.49Å; C106-C108 WeakPolarHBondContact CB-SG 3.24Å; C106-C108 PolarHBondContact O-N 2.8Å; C106-C108 WeakPolarHBondContact SG-CB 3.31Å; C106-C108 PolarHBondContact SG-N 3.33Å; C106-C108 VanDerWaalsContact SG-N 3.37Å; C106-C108 CovalentContact SG-SG 2.07Å; C106-C108 PolarHBondContact SG-SG 3.06Å; C106-Y109 WeakPolarHBondContact O-CB 3.49Å; C106-Y109 PolarHBondContact O-N 3.47Å
107S86.4Confident89.9Confident118 Ų11868.5 Ų68.583%0.82538%0.38SS*.THydrogen-bonded Turntrans-57-31.5169.957.90000112.6Y109S107-Y109 PolarHBondContact O-N 3.37Å
108C90.4Very high90.2Very high46 Ų4665.3 Ų65.331%0.31137%0.37SS..THydrogen-bonded Turntrans-68.5-17177.170.50000114.5C106 R110 P111 L112C106-C108 HydrophobicContact CB-CB 4.49Å; C106-C108 WeakPolarHBondContact CB-SG 3.24Å; C106-C108 PolarHBondContact O-N 2.8Å; C106-C108 WeakPolarHBondContact SG-CB 3.31Å; C106-C108 PolarHBondContact SG-N 3.33Å; C106-C108 VanDerWaalsContact SG-N 3.37Å; C106-C108 CovalentContact SG-SG 2.07Å; C106-C108 PolarHBondContact SG-SG 3.06Å; C108-R110 PolarHBondContact O-N 3.01Å; C108-P111 VanDerWaalsContact O-CD 3.31Å; C108-P111 WeakPolarHBondContact O-CD 3.2Å; C108-L112 HydrophobicContact CB-CD1 4.2Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.36Å; C108-L112 PolarHBondContact O-N 2.07Å
109Y92.3Very high90.6Very high9 Ų965.3 Ų65.34%0.03537%0.371CS..Hα-helixtrans-61.6-50.6-167.7177.5-107.8000112.9Y99 C102 C106 S107 L112 C113 L163 L166 T167Y99-Y109 WeakPolarHBondContact CA-OH 3.13Å; Y99-Y109 WeakPolarHBondContact O-CE1 3.25Å; Y99-Y109 PolarHBondContact O-OH 3.2Å; C102-Y109 WeakPolarHBondContact CB-OH 3.18Å; C106-Y109 WeakPolarHBondContact O-CB 3.49Å; C106-Y109 PolarHBondContact O-N 3.47Å; S107-Y109 PolarHBondContact O-N 3.37Å; Y109-L112 PolarHBondContact O-N 2.98Å; Y109-C113 PolarHBondContact O-N 3.28Å; Y109-C113 PolarHBondContact O-SG 2.83Å; Y109-L163 HydrophobicContact CD2-CD2 3.87Å; Y109-L163 HydrophobicContact CE2-CD2 3.72Å; Y109-L166 HydrophobicContact CD2-CD1 4.46Å; Y109-T167 HydrophobicContact CD2-CG2 4.4Å; Y109-T167 HydrophobicContact CE2-CG2 3.36Å; Y109-T167 VanDerWaalsContact OH-CG2 3.3Å; Y109-T167 WeakPolarHBondContact OH-CG2 3.46Å
110R92.3Very high91Very high167 Ų16765.3 Ų65.363%0.6337%0.372SS*.Hα-helixtrans-63.5-46.3-179-70.5-177.7177.1-153.7-1.6112.8C108 L112 C113 R114C108-R110 PolarHBondContact O-N 3.01Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3Å; R110-C113 PolarHBondContact O-N 2.84Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.19Å
111P95.2Very high91.5Very high72 Ų7263.1 Ų63.147%0.46836%0.361SS..Hα-helixtrans-54.2-45.3170.6-28.333.7000113.6C108 C113 R114 L115C108-P111 VanDerWaalsContact O-CD 3.31Å; C108-P111 WeakPolarHBondContact O-CD 3.2Å; P111-C113 VanDerWaalsContact C-N 3.34Å; P111-C113 PolarHBondContact O-N 2.99Å; P111-R114 PolarHBondContact O-N 3.26Å; P111-L115 PolarHBondContact O-N 3.32Å
112L95.7Very high92.1Very high38 Ų3861.7 Ų61.720%0.19935%0.349CS..Hα-helixtrans-63.5-38.9178.6-68.7171.2000112.2C108 Y109 R110 R114 L115 N116 L159 I162 L163 L166C108-L112 HydrophobicContact CB-CD1 4.2Å; C108-L112 VanDerWaalsContact O-CG 3.24Å; C108-L112 WeakPolarHBondContact O-CG 3.36Å; C108-L112 PolarHBondContact O-N 2.07Å; Y109-L112 PolarHBondContact O-N 2.98Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-L112 PolarHBondContact O-N 3Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.34Å; L112-L115 PolarHBondContact O-N 3.45Å; L112-N116 VanDerWaalsContact O-CB 3.25Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.05Å; L112-L159 HydrophobicContact CD2-CD2 3.8Å; L112-I162 HydrophobicContact CD1-CG2 4.45Å; L112-L163 HydrophobicContact CB-CD2 3.8Å; L112-L166 HydrophobicContact CD1-CD1 4.12Å
113C95.9Very high92.7Very high1 Ų160.2 Ų60.21%0.00734%0.339CS..Hα-helixtrans-61.7-43174.6-63.30000111.6W96 Y109 R110 P111 N116 F117W96-C113 HydrophobicContact CE3-CB 4.45Å; W96-C113 HydrophobicContact CZ3-CB 3.97Å; Y109-C113 PolarHBondContact O-N 3.28Å; Y109-C113 PolarHBondContact O-SG 2.83Å; R110-C113 PolarHBondContact O-N 2.84Å; P111-C113 VanDerWaalsContact C-N 3.34Å; P111-C113 PolarHBondContact O-N 2.99Å; C113-N116 PolarHBondContact O-N 3.4Å; C113-F117 WeakPolarHBondContact O-CB 3.32Å; C113-F117 PolarHBondContact O-N 3.34Å
114R96.8Very high93.7Very high157 Ų15753.8 Ų53.859%0.59230%0.299SS*.Hα-helixtrans-64.6-46.4179.3-73.8175.2-174.2168.10.4111W96 R110 P111 L112 F117 G118W96-R114 HydrophobicContact CH2-CB 4.41Å; W96-R114 HydrophobicContact CH2-CG 3.4Å; W96-R114 HydrophobicContact CZ3-CB 4.21Å; W96-R114 HydrophobicContact CZ3-CG 3.63Å; R110-R114 WeakPolarHBondContact O-CG 3.3Å; R110-R114 PolarHBondContact O-N 3.19Å; P111-R114 PolarHBondContact O-N 3.26Å; L112-R114 VanDerWaalsContact C-N 3.34Å; L112-R114 PolarHBondContact O-N 3.34Å; R114-F117 PolarHBondContact O-N 2.84Å; R114-G118 PolarHBondContact O-N 3.37Å
115L97.9Very high94.6Very high94 Ų9456.6 Ų56.649%0.49231%0.311SS..Hα-helixtrans-61.4-45.9177-17860.5000110.8P111 L112 F117 G118 L119 L159P111-L115 PolarHBondContact O-N 3.32Å; L112-L115 PolarHBondContact O-N 3.45Å; L115-F117 PolarHBondContact O-N 3.45Å; L115-G118 PolarHBondContact O-N 2.97Å; L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.25Å; L115-L119 HydrophobicContact CG-CD1 4.25Å; L115-L119 HydrophobicContact CG-CG 4.42Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.42Å; L115-L159 HydrophobicContact CB-CD1 4.02Å; L115-L159 HydrophobicContact CD2-CD1 3.62Å; L115-L159 HydrophobicContact CG-CD1 3.55Å
116N97.9Very high95.7Very high4 Ų450.7 Ų50.72%0.02127%0.274CS..Hα-helixtrans-60.2-43178-175.179.6000112.7L112 C113 N120 H156 L159 T160 L163L112-N116 VanDerWaalsContact O-CB 3.25Å; L112-N116 WeakPolarHBondContact O-CB 3.41Å; L112-N116 PolarHBondContact O-N 3.05Å; C113-N116 PolarHBondContact O-N 3.4Å; N116-N120 PolarHBondContact O-N 2.85Å; N116-N120 VanDerWaalsContact O-N 3.1Å; N116-H156 PolarHBondContact ND2-ND1 3.49Å; N116-H156 PolarHBondContact OD1-ND1 2.82Å; N116-H156 PolarHBondContact OD1-O 3.36Å; N116-H156 VanDerWaalsContact OD1-O 3.07Å; N116-L159 HydrophobicContact CB-CB 4.04Å; N116-L159 HydrophobicContact CB-CD1 4.2Å; N116-L159 WeakPolarHBondContact OD1-CB 3.25Å; N116-T160 PolarHBondContact OD1-N 3.38Å; N116-T160 PolarHBondContact OD1-OG1 3.03Å; N116-T160 VanDerWaalsContact OD1-OG1 3.07Å; N116-L163 HydrophobicContact CB-CD1 3.65Å
117F98.2Very high96.4Very high45 Ų4549.3 Ų49.320%0.19726%0.263CS..Hα-helixtrans-63.2-46.7174.3173-106.5000111.7A92 F93 W96 C113 R114 L115 L119 N120 V121A92-F117 HydrophobicContact CB-CD2 4.3Å; A92-F117 HydrophobicContact CB-CE2 4.13Å; F93-F117 AromaticContact CD1-CE2 3.83Å; F93-F117 HydrophobicContact CD1-CE2 3.83Å; F93-F117 AromaticContact CD1-CZ 3.81Å; F93-F117 HydrophobicContact CD1-CZ 3.81Å; F93-F117 HydrophobicContact CE1-CE1 4.48Å; F93-F117 AromaticContact CE1-CE2 3.97Å; F93-F117 HydrophobicContact CE1-CE2 3.97Å; F93-F117 AromaticContact CE1-CZ 3.46Å; F93-F117 HydrophobicContact CE1-CZ 3.46Å; F93-F117 VanDerWaalsContact CE1-CZ 3.46Å; F93-F117 HydrophobicContact CG-CE2 4.19Å; F93-F117 HydrophobicContact CG-CZ 4.49Å; F93-F117 HydrophobicContact CZ-CE2 4.42Å; F93-F117 AromaticContact CZ-CZ 3.86Å; F93-F117 HydrophobicContact CZ-CZ 3.86Å; W96-F117 HydrophobicContact CB-CB 4.42Å; W96-F117 HydrophobicContact CB-CD2 3.69Å; W96-F117 HydrophobicContact CB-CE2 4.21Å; W96-F117 HydrophobicContact CB-CG 4.13Å; W96-F117 HydrophobicContact CD2-CB 4.35Å; W96-F117 HydrophobicContact CD2-CG 4.29Å; W96-F117 HydrophobicContact CE3-CB 3.76Å; W96-F117 HydrophobicContact CE3-CG 4.18Å; W96-F117 HydrophobicContact CG-CD2 4.23Å; W96-F117 HydrophobicContact CG-CG 4.31Å; W96-F117 HydrophobicContact CZ3-CB 4.5Å; C113-F117 WeakPolarHBondContact O-CB 3.32Å; C113-F117 PolarHBondContact O-N 3.34Å; R114-F117 PolarHBondContact O-N 2.84Å; L115-F117 PolarHBondContact O-N 3.45Å; F117-L119 PolarHBondContact O-N 3.42Å; F117-N120 PolarHBondContact O-N 3.42Å; F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CD2-CG2 4.28Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.82Å; F117-V121 HydrophobicContact CZ-CG2 3.64Å; F117-V121 WeakPolarHBondContact O-CG2 3.49Å; F117-V121 PolarHBondContact O-N 3.5Å
118G98.5Very high96.9Very high30 Ų3045.5 Ų45.531%0.30923%0.233SC..Hα-helixtrans-58.9-43.917700000112.8R114 L115 V121 V122R114-G118 PolarHBondContact O-N 3.37Å; L115-G118 PolarHBondContact O-N 2.97Å; G118-V121 PolarHBondContact O-N 3.2Å; G118-V122 WeakPolarHBondContact O-CB 3.5Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.28Å; G118-V122 PolarHBondContact O-N 3.07Å
119L98.7Very high97.3Very high38 Ų3846.4 Ų46.420%0.19924%0.237CC..Hα-helixtrans-62.8-42.3176.2-69.1177.9000112.1L115 F117 V121 V122 E123 S152 G155 H156 L159L115-L119 HydrophobicContact CD1-CD1 4.48Å; L115-L119 HydrophobicContact CD1-CG 4.25Å; L115-L119 HydrophobicContact CG-CD1 4.25Å; L115-L119 HydrophobicContact CG-CG 4.42Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.42Å; F117-L119 PolarHBondContact O-N 3.42Å; L119-V121 PolarHBondContact O-N 3.06Å; L119-V122 PolarHBondContact O-N 3.1Å; L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 PolarHBondContact O-N 3.44Å; L119-S152 WeakPolarHBondContact O-CB 3.43Å; L119-G155 VanDerWaalsContact CD1-C 3.48Å; L119-H156 HydrophobicContact CB-CB 4.01Å; L119-L159 HydrophobicContact CD1-CD1 3.69Å
120N98.4Very high97.5Very high2 Ų246.8 Ų46.81%0.01124%0.24CC..Hα-helixtrans-64.3-40.1176.6-172.8-48.2000111.7A92 N116 F117 E123 N124 H156A92-N120 HydrophobicContact CB-CB 4.37Å; A92-N120 WeakPolarHBondContact CB-OD1 3.44Å; N116-N120 PolarHBondContact O-N 2.85Å; N116-N120 VanDerWaalsContact O-N 3.1Å; F117-N120 PolarHBondContact O-N 3.42Å; N120-E123 WeakPolarHBondContact O-CB 3.38Å; N120-E123 PolarHBondContact O-N 2.87Å; N120-N124 PolarHBondContact O-N 3.24Å; N120-N124 VanDerWaalsContact O-N 3.1Å; N120-N124 PolarHBondContact O-ND2 2.86Å; N120-N124 PolarHBondContact OD1-ND2 2.85Å; N120-H156 PolarHBondContact ND2-CD2 3.42Å; N120-H156 PolarHBondContact ND2-NE2 2.83Å
121V98.5Very high97.7Very high34 Ų3439.1 Ų39.121%0.20621%0.211CC..Hα-helixtrans-62.3-47.1174.7171.20000110.8F89 F117 G118 L119 E123 N124 L125F89-V121 HydrophobicContact CE1-CG1 4.27Å; F117-V121 HydrophobicContact CD1-CG2 4.42Å; F117-V121 HydrophobicContact CD2-CG2 4.28Å; F117-V121 HydrophobicContact CE1-CG2 3.97Å; F117-V121 HydrophobicContact CE2-CG2 3.82Å; F117-V121 HydrophobicContact CZ-CG2 3.64Å; F117-V121 WeakPolarHBondContact O-CG2 3.49Å; F117-V121 PolarHBondContact O-N 3.5Å; G118-V121 PolarHBondContact O-N 3.2Å; L119-V121 PolarHBondContact O-N 3.06Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.28Å; V121-N124 PolarHBondContact O-N 2.94Å; V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.5Å; V121-L125 PolarHBondContact O-N 2.88Å
122V98.7Very high97.8Very high61 Ų6140.9 Ų40.937%0.3721%0.21SC..Hα-helixtrans-62.9-40.4177.5170.70000111.5G118 L119 N124 L125 A126 V148G118-V122 WeakPolarHBondContact O-CB 3.5Å; G118-V122 VanDerWaalsContact O-CG2 3.31Å; G118-V122 WeakPolarHBondContact O-CG2 3.28Å; G118-V122 PolarHBondContact O-N 3.07Å; L119-V122 PolarHBondContact O-N 3.1Å; V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 PolarHBondContact O-N 3.48Å; V122-L125 PolarHBondContact O-N 2.81Å; V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.42Å; V122-V148 HydrophobicContact CG1-CG1 3.49Å; V122-V148 VanDerWaalsContact CG1-CG1 3.49Å
123E98.5Very high97.8Very high0 Ų040.9 Ų40.90%021%0.211CC..Hα-helixtrans-55.5-48174.2-179.9-166.1163.100110.8R88 L119 N120 V121 A126 L127 F149 S152 H156 N227 H231R88-E123 IonicContact NH2-OE1 2.79Å; R88-E123 PolarHBondContact NH2-OE1 3.44Å; R88-E123 IonicContact NH2-OE2 3.91Å; L119-E123 WeakPolarHBondContact O-CB 3.43Å; L119-E123 PolarHBondContact O-N 3.44Å; N120-E123 WeakPolarHBondContact O-CB 3.38Å; N120-E123 PolarHBondContact O-N 2.87Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-E123 PolarHBondContact O-N 3.28Å; E123-A126 PolarHBondContact O-N 2.95Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 PolarHBondContact O-N 3.47Å; E123-F149 HydrophobicContact CG-CD2 3.79Å; E123-F149 HydrophobicContact CG-CE2 3.62Å; E123-F149 WeakPolarHBondContact O-CD2 3.21Å; E123-S152 WeakPolarHBondContact CA-OG 3.37Å; E123-S152 WeakPolarHBondContact CB-OG 3.33Å; E123-S152 PolarHBondContact N-OG 2.96Å; E123-H156 IonicContact OE2-CD2 2.84Å; E123-H156 PolarHBondContact OE2-CD2 3.22Å; E123-N227 PolarHBondContact OE1-ND2 2.93Å; E123-H231 IonicContact OE1-CD2 2.74Å; E123-H231 IonicContact OE1-CE1 2.69Å; E123-H231 IonicContact OE1-NE2 3.21Å; E123-H231 PolarHBondContact OE1-NE2 3.35Å; E123-H231 IonicContact OE2-CE1 3.88Å; E123-H231 IonicContact OE2-NE2 3.31Å
124N98.3Very high97.6Very high3 Ų341 Ų412%0.01621%0.212CC..Hα-helixtrans-67.8-40.9180-76.5-73.1000112.9R88 F89 N120 V121 V122 L127 L128R88-N124 WeakPolarHBondContact CB-OD1 3.42Å; R88-N124 PolarHBondContact NE-OD1 3.09Å; R88-N124 VanDerWaalsContact NE-OD1 3.09Å; F89-N124 HydrophobicContact CD1-CB 4.3Å; F89-N124 HydrophobicContact CE1-CB 3.64Å; F89-N124 HydrophobicContact CE2-CB 4.19Å; F89-N124 HydrophobicContact CZ-CB 3.57Å; N120-N124 PolarHBondContact O-N 3.24Å; N120-N124 VanDerWaalsContact O-N 3.1Å; N120-N124 PolarHBondContact O-ND2 2.86Å; N120-N124 PolarHBondContact OD1-ND2 2.85Å; V121-N124 PolarHBondContact O-N 2.94Å; V122-N124 VanDerWaalsContact C-N 3.33Å; V122-N124 PolarHBondContact O-N 3.48Å; N124-L127 PolarHBondContact O-N 3.2Å; N124-L128 WeakPolarHBondContact O-CG 3.5Å; N124-L128 PolarHBondContact O-N 2.91Å
125L98.4Very high97.3Very high90 Ų9035.3 Ų35.347%0.47120%0.196SC..Hα-helixtrans-63.6-45.1175.5-69.8171.7000111.2F89 V121 V122 L127 L128 V129F89-L125 HydrophobicContact CE1-CG 4.44Å; F89-L125 HydrophobicContact CZ-CD2 4.01Å; F89-L125 HydrophobicContact CZ-CG 4.21Å; V121-L125 HydrophobicContact CG1-CD1 4.03Å; V121-L125 WeakPolarHBondContact O-CG 3.5Å; V121-L125 PolarHBondContact O-N 2.88Å; V122-L125 PolarHBondContact O-N 2.81Å; L125-L127 PolarHBondContact O-N 3.4Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.31Å; L125-V129 WeakPolarHBondContact O-CG2 3.31Å; L125-V129 PolarHBondContact O-N 3.1Å
126A98.5Very high96.8Very high8 Ų834.2 Ų34.27%0.06620%0.196CC..Hα-helixtrans-63.7-40.5177.900000111.8V122 E123 L128 V129 L130 V148 F149V122-A126 WeakPolarHBondContact O-CB 3.34Å; V122-A126 PolarHBondContact O-N 3.42Å; E123-A126 PolarHBondContact O-N 2.95Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.97Å; A126-V129 PolarHBondContact O-N 3.27Å; A126-L130 WeakPolarHBondContact O-CB 3.32Å; A126-L130 PolarHBondContact O-N 3.49Å; A126-V148 HydrophobicContact CB-CB 4.13Å; A126-V148 HydrophobicContact CB-CG1 3.83Å; A126-F149 HydrophobicContact CB-CB 3.84Å
127L98.1Very high96.5Very high19 Ų1939.3 Ų39.310%0.09922%0.22CC..Hα-helixtrans-62.7-39174.8-179.759.7000112.5I81 E123 N124 L125 T131 F149I81-L127 HydrophobicContact CG2-CG 4.27Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 PolarHBondContact O-N 3.47Å; N124-L127 PolarHBondContact O-N 3.2Å; L125-L127 PolarHBondContact O-N 3.4Å; L127-T131 VanDerWaalsContact O-CB 3.25Å; L127-T131 WeakPolarHBondContact O-CB 3.4Å; L127-T131 PolarHBondContact O-N 2.92Å; L127-T131 PolarHBondContact O-OG1 3.44Å; L127-F149 HydrophobicContact CB-CD2 3.82Å; L127-F149 HydrophobicContact CB-CE2 3.93Å; L127-F149 HydrophobicContact CD1-CD2 4.45Å; L127-F149 HydrophobicContact CD1-CE2 4.15Å; L127-F149 HydrophobicContact CD1-CZ 4.47Å; L127-F149 HydrophobicContact CD2-CE2 4.29Å; L127-F149 HydrophobicContact CG-CE2 4.35Å
128L98Very high96.3Very high38 Ų3840.1 Ų40.120%0.19923%0.226CC..Hα-helixtrans-63-50.6174.1-76.8168.7000110.6I81 F89 N124 L125 A126 L130 T131 Y132I81-L128 HydrophobicContact CG2-CD2 4.27Å; F89-L128 HydrophobicContact CE2-CD1 4.14Å; F89-L128 HydrophobicContact CZ-CD1 4.4Å; N124-L128 WeakPolarHBondContact O-CG 3.5Å; N124-L128 PolarHBondContact O-N 2.91Å; L125-L128 WeakPolarHBondContact O-CB 3.36Å; L125-L128 PolarHBondContact O-N 3.31Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.97Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 3.24Å; L128-T131 PolarHBondContact O-N 3.22Å; L128-T131 VanDerWaalsContact O-N 3.13Å; L128-Y132 HydrophobicContact CD2-CD2 4.38Å; L128-Y132 HydrophobicContact CD2-CE2 3.95Å; L128-Y132 VanDerWaalsContact O-CD2 3.29Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 2.85Å
129V98Very high96.1Very high64 Ų6444.1 Ų44.139%0.38824%0.236SC..Hα-helixtrans-59-47.1177.5178.20000110.8L125 A126 T131 Y132 V133 I141 A145L125-V129 WeakPolarHBondContact O-CG2 3.31Å; L125-V129 PolarHBondContact O-N 3.1Å; A126-V129 PolarHBondContact O-N 3.27Å; V129-T131 PolarHBondContact O-N 2.9Å; V129-Y132 PolarHBondContact O-N 2.87Å; V129-V133 HydrophobicContact CG1-CG2 4.22Å; V129-V133 WeakPolarHBondContact O-CB 3.41Å; V129-V133 PolarHBondContact O-N 3.48Å; V129-I141 HydrophobicContact CG1-CG2 3.93Å; V129-A145 HydrophobicContact CB-CB 4.09Å; V129-A145 HydrophobicContact CG1-CB 3.79Å
130L97.2Very high96Very high17 Ų1746.4 Ų46.49%0.08925%0.251CS..Hα-helixtrans-57-33.2177.5-179.264.8000112.9A126 L128 H142 A145 F146 F149A126-L130 WeakPolarHBondContact O-CB 3.32Å; A126-L130 PolarHBondContact O-N 3.49Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 3.24Å; L130-H142 WeakPolarHBondContact CD1-CE1 3.32Å; L130-H142 WeakPolarHBondContact CD1-O 3.47Å; L130-H142 PolarHBondContact O-CE1 3.08Å; L130-H142 PolarHBondContact O-ND1 3.32Å; L130-A145 HydrophobicContact CB-CB 4.05Å; L130-A145 HydrophobicContact CD1-CB 4.49Å; L130-F146 HydrophobicContact CD1-CB 3.82Å; L130-F146 HydrophobicContact CD2-CB 4.5Å; L130-F146 HydrophobicContact CD2-CD2 4.25Å; L130-F149 HydrophobicContact CD2-CD1 4.46Å
131T96.8Very high95.9Very high6 Ų650 Ų504%0.03727%0.269CS..Hα-helixtrans-82.1-41.4-178.9-66.90000112.7W77 R78 I81 L127 L128 V129W77-T131 VanDerWaalsContact CD1-CG2 3.42Å; W77-T131 PolarHBondContact NE1-OG1 3.4Å; R78-T131 HydrophobicContact CB-CG2 4.36Å; R78-T131 HydrophobicContact CG-CG2 3.86Å; R78-T131 PolarHBondContact NE-O 3.23Å; I81-T131 HydrophobicContact CB-CG2 3.82Å; I81-T131 HydrophobicContact CG1-CG2 4.06Å; I81-T131 HydrophobicContact CG2-CG2 3.95Å; L127-T131 VanDerWaalsContact O-CB 3.25Å; L127-T131 WeakPolarHBondContact O-CB 3.4Å; L127-T131 PolarHBondContact O-N 2.92Å; L127-T131 PolarHBondContact O-OG1 3.44Å; L128-T131 PolarHBondContact O-N 3.22Å; L128-T131 VanDerWaalsContact O-N 3.13Å; V129-T131 PolarHBondContact O-N 2.9Å
132Y96.2Very high95.8Very high110 Ų11048.9 Ų48.943%0.43126%0.262SS..Hα-helixtrans-85.3-30.7-175.8-78.3-84.2000112.5R78 L128 V129R78-Y132 HydrophobicContact CB-CE1 4.25Å; R78-Y132 HydrophobicContact CG-CD1 4.38Å; R78-Y132 HydrophobicContact CG-CE1 4.38Å; R78-Y132 PolarHBondContact NH2-O 3.37Å; R78-Y132 PolarHBondContact O-OH 2.81Å; L128-Y132 HydrophobicContact CD2-CD2 4.38Å; L128-Y132 HydrophobicContact CD2-CE2 3.95Å; L128-Y132 VanDerWaalsContact O-CD2 3.29Å; L128-Y132 WeakPolarHBondContact O-CD2 3.37Å; L128-Y132 PolarHBondContact O-N 2.85Å; V129-Y132 PolarHBondContact O-N 2.87Å
133V95.7Very high95.7Very high38 Ų3850 Ų5023%0.2326%0.263CS..SBendtrans-98.496.5171.5-172.90000108.4V129 D138 I141 H142V129-V133 HydrophobicContact CG1-CG2 4.22Å; V129-V133 WeakPolarHBondContact O-CB 3.41Å; V129-V133 PolarHBondContact O-N 3.48Å; V133-D138 HydrophobicContact CG1-CB 3.9Å; V133-I141 HydrophobicContact CB-CG2 4.12Å; V133-I141 HydrophobicContact CG1-CB 3.95Å; V133-I141 HydrophobicContact CG1-CG2 3.8Å; V133-I141 HydrophobicContact CG2-CG2 4.11Å; V133-H142 PolarHBondContact O-ND1 3.11Å
134S92.8Very high95.7Very high4 Ų454.1 Ų54.13%0.02829%0.285CS..  trans-73.8156179.164.40000111.6S136 E137 D138S134-S136 PolarHBondContact O-N 3.07Å; S134-S136 VanDerWaalsContact O-N 3.15Å; S134-S136 PolarHBondContact OG-OG 2.92Å; S134-E137 WeakPolarHBondContact CB-OE2 3.29Å; S134-E137 PolarHBondContact N-OE2 3.27Å; S134-E137 PolarHBondContact O-N 2.89Å; S134-E137 VanDerWaalsContact OG-CG 3.23Å; S134-E137 WeakPolarHBondContact OG-CG 3.34Å; S134-E137 PolarHBondContact OG-N 3Å; S134-E137 PolarHBondContact OG-OE2 3.35Å; S134-D138 PolarHBondContact O-N 3.21Å; S134-D138 VanDerWaalsContact O-N 3.09Å
135S90.3Very high95.7Very high36 Ų3654.4 Ų54.425%0.25229%0.288SS..THydrogen-bonded Turntrans-60.8-22.9175.758.50000113.4H142S135-H142 PolarHBondContact N-ND1 3.48Å
136S87.3Confident95.7Very high72 Ų7253.2 Ų53.250%0.50328%0.279SS..THydrogen-bonded Turntrans-80.1-22.3174.5430000114G68 S134G68-S136 PolarHBondContact O-OG 3.19Å; G68-S136 VanDerWaalsContact O-OG 3.13Å; S134-S136 PolarHBondContact O-N 3.07Å; S134-S136 VanDerWaalsContact O-N 3.15Å; S134-S136 PolarHBondContact OG-OG 2.92Å
137E91.3Very high95.7Very high111 Ų11157.2 Ų57.252%0.51930%0.298SS..THydrogen-bonded Turntrans-89.7-52.6178.5-72.5156.6158.300110.8R78 S134R78-E137 IonicContact CZ-OE1 3.68Å; R78-E137 IonicContact NH1-OE1 3.68Å; R78-E137 VanDerWaalsContact NH2-CD 3.29Å; R78-E137 IonicContact NH2-OE1 3.75Å; R78-E137 PolarHBondContact NH2-OE1 3.12Å; R78-E137 IonicContact NH2-OE2 3.86Å; R78-E137 PolarHBondContact NH2-OE2 3.21Å; S134-E137 WeakPolarHBondContact CB-OE2 3.29Å; S134-E137 PolarHBondContact N-OE2 3.27Å; S134-E137 PolarHBondContact O-N 2.89Å; S134-E137 VanDerWaalsContact OG-CG 3.23Å; S134-E137 WeakPolarHBondContact OG-CG 3.34Å; S134-E137 PolarHBondContact OG-N 3Å; S134-E137 PolarHBondContact OG-OE2 3.35Å
138D94.8Very high95.7Very high62 Ų6259.6 Ų59.633%0.33231%0.313SS..  trans-148.5103.2174.5-171.3-40.2000109.9V133 S134 T140 I141 H142V133-D138 HydrophobicContact CG1-CB 3.9Å; S134-D138 PolarHBondContact O-N 3.21Å; S134-D138 VanDerWaalsContact O-N 3.09Å; D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CA 3.17Å; D138-T140 WeakPolarHBondContact OD1-CB 3.28Å; D138-T140 PolarHBondContact OD1-N 3.04Å; D138-I141 HydrophobicContact CB-CB 4.28Å; D138-I141 HydrophobicContact CB-CD1 4.33Å; D138-I141 HydrophobicContact CB-CG1 4.44Å; D138-I141 PolarHBondContact OD1-N 3.01Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.27Å; D138-H142 VanDerWaalsContact O-CB 3.24Å; D138-H142 WeakPolarHBondContact O-CB 3.38Å; D138-H142 PolarHBondContact O-N 2.88Å; D138-H142 VanDerWaalsContact O-N 3.08Å
139F93.1Very high95.7Very high114 Ų11458.6 Ų58.650%0.531%0.308SS..Hα-helixtrans-61.8-38.2-179.7-177.4-94.1000112.6H142 E143F139-H142 PolarHBondContact O-N 2.98Å; F139-E143 HydrophobicContact CE1-CB 4.32Å; F139-E143 VanDerWaalsContact O-CB 3.31Å; F139-E143 WeakPolarHBondContact O-CB 3.22Å; F139-E143 PolarHBondContact O-N 3.47Å
140T96.9Very high95.7Very high85 Ų8555.9 Ų55.952%0.52129%0.291SS..Hα-helixtrans-69.4-45.3-174.2-54.30000110.8D138 N144D138-T140 VanDerWaalsContact C-N 3.31Å; D138-T140 PolarHBondContact O-N 3.33Å; D138-T140 WeakPolarHBondContact OD1-CA 3.17Å; D138-T140 WeakPolarHBondContact OD1-CB 3.28Å; D138-T140 PolarHBondContact OD1-N 3.04Å; T140-N144 WeakPolarHBondContact O-CB 3.23Å; T140-N144 PolarHBondContact O-N 2.9Å; T140-N144 VanDerWaalsContact O-N 3.11Å; T140-N144 PolarHBondContact O-ND2 3.45Å
141I97.4Very high95.8Very high78 Ų7858.1 Ų58.140%0.431%0.312SS..Hα-helixtrans-67-42.1176.8-65.1175.9000110V129 V133 D138 N144 A145V129-I141 HydrophobicContact CG1-CG2 3.93Å; V133-I141 HydrophobicContact CB-CG2 4.12Å; V133-I141 HydrophobicContact CG1-CB 3.95Å; V133-I141 HydrophobicContact CG1-CG2 3.8Å; V133-I141 HydrophobicContact CG2-CG2 4.11Å; D138-I141 HydrophobicContact CB-CB 4.28Å; D138-I141 HydrophobicContact CB-CD1 4.33Å; D138-I141 HydrophobicContact CB-CG1 4.44Å; D138-I141 PolarHBondContact OD1-N 3.01Å; D138-I141 WeakPolarHBondContact OD2-CD1 3.27Å; I141-N144 PolarHBondContact O-N 2.85Å; I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.24Å; I141-A145 PolarHBondContact O-N 2.92Å
142H96.4Very high95.9Very high10 Ų1058 Ų585%0.04631%0.311CS..Hα-helixtrans-59.3-48.9177.9-175.690.1000112.1S64 L130 V133 S135 D138 F139 A145 F146S64-H142 WeakPolarHBondContact CB-NE2 3.44Å; S64-H142 PolarHBondContact OG-NE2 3.41Å; L130-H142 WeakPolarHBondContact CD1-CE1 3.32Å; L130-H142 WeakPolarHBondContact CD1-O 3.47Å; L130-H142 PolarHBondContact O-CE1 3.08Å; L130-H142 PolarHBondContact O-ND1 3.32Å; V133-H142 PolarHBondContact O-ND1 3.11Å; S135-H142 PolarHBondContact N-ND1 3.48Å; D138-H142 VanDerWaalsContact O-CB 3.24Å; D138-H142 WeakPolarHBondContact O-CB 3.38Å; D138-H142 PolarHBondContact O-N 2.88Å; D138-H142 VanDerWaalsContact O-N 3.08Å; F139-H142 PolarHBondContact O-N 2.98Å; H142-A145 PolarHBondContact O-N 3.28Å; H142-F146 PolarHBondContact O-N 2.98Å
143E96.4Very high96Very high85 Ų8552.8 Ų52.840%0.39729%0.291SS..Hα-helixtrans-60.7-47.9178.2179.8178.6-151.400111.5F139 A145 F146 I147F139-E143 HydrophobicContact CE1-CB 4.32Å; F139-E143 VanDerWaalsContact O-CB 3.31Å; F139-E143 WeakPolarHBondContact O-CB 3.22Å; F139-E143 PolarHBondContact O-N 3.47Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.25Å; E143-F146 WeakPolarHBondContact O-CB 3.29Å; E143-F146 PolarHBondContact O-N 3.24Å; E143-F146 VanDerWaalsContact O-N 3.15Å; E143-I147 HydrophobicContact CG-CD1 4.1Å; E143-I147 WeakPolarHBondContact O-CG1 3.32Å; E143-I147 PolarHBondContact O-N 3.44Å
144N97.9Very high96.1Very high87 Ų8751.9 Ų51.947%0.46528%0.284SS..Hα-helixtrans-62.1-40.8177.9-75.1-48.1000111.9T140 I141 F146 I147 V148T140-N144 WeakPolarHBondContact O-CB 3.23Å; T140-N144 PolarHBondContact O-N 2.9Å; T140-N144 VanDerWaalsContact O-N 3.11Å; T140-N144 PolarHBondContact O-ND2 3.45Å; I141-N144 PolarHBondContact O-N 2.85Å; N144-F146 VanDerWaalsContact C-N 3.32Å; N144-F146 PolarHBondContact O-N 3.01Å; N144-I147 PolarHBondContact O-N 3.49Å; N144-V148 VanDerWaalsContact O-CG2 3.31Å; N144-V148 WeakPolarHBondContact O-CG2 3.14Å; N144-V148 PolarHBondContact O-N 3.49Å
145A98.3Very high96.4Very high9 Ų952.6 Ų52.67%0.07429%0.293CS..Hα-helixtrans-62.6-39.7175.100000111.7V129 L130 I141 H142 E143 V148 F149V129-A145 HydrophobicContact CB-CB 4.09Å; V129-A145 HydrophobicContact CG1-CB 3.79Å; L130-A145 HydrophobicContact CB-CB 4.05Å; L130-A145 HydrophobicContact CD1-CB 4.49Å; I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.24Å; I141-A145 PolarHBondContact O-N 2.92Å; H142-A145 PolarHBondContact O-N 3.28Å; E143-A145 VanDerWaalsContact C-N 3.32Å; E143-A145 PolarHBondContact O-N 3.25Å; A145-V148 PolarHBondContact O-N 3.35Å; A145-F149 VanDerWaalsContact O-CB 3.25Å; A145-F149 WeakPolarHBondContact O-CB 3.25Å; A145-F149 PolarHBondContact O-N 3.47Å
146F97.8Very high96.8Very high64 Ų6451 Ų5128%0.28128%0.282SS..Hα-helixtrans-61.9-46.5174.2176.3-100.7000111.9L130 H142 E143 N144 V148 F149 I150 F194L130-F146 HydrophobicContact CD1-CB 3.82Å; L130-F146 HydrophobicContact CD2-CB 4.5Å; L130-F146 HydrophobicContact CD2-CD2 4.25Å; H142-F146 PolarHBondContact O-N 2.98Å; E143-F146 WeakPolarHBondContact O-CB 3.29Å; E143-F146 PolarHBondContact O-N 3.24Å; E143-F146 VanDerWaalsContact O-N 3.15Å; N144-F146 VanDerWaalsContact C-N 3.32Å; N144-F146 PolarHBondContact O-N 3.01Å; F146-V148 PolarHBondContact O-N 3.28Å; F146-F149 WeakPolarHBondContact O-CB 3.44Å; F146-F149 PolarHBondContact O-N 3.19Å; F146-I150 HydrophobicContact CD1-CG1 4.44Å; F146-I150 HydrophobicContact CD2-CG1 4.21Å; F146-I150 HydrophobicContact CE1-CG1 4Å; F146-I150 HydrophobicContact CE2-CD1 4.06Å; F146-I150 HydrophobicContact CE2-CG1 3.75Å; F146-I150 HydrophobicContact CZ-CD1 4.14Å; F146-I150 HydrophobicContact CZ-CG1 3.64Å; F146-I150 WeakPolarHBondContact O-CG1 3.28Å; F146-I150 PolarHBondContact O-N 2.93Å; F146-F194 HydrophobicContact CE1-CE2 4.33Å; F146-F194 HydrophobicContact CZ-CE2 4.38Å
147I98.2Very high97.4Very high92 Ų9247.6 Ų47.647%0.47226%0.258SS..Hα-helixtrans-59.6-48.4178.1-67.6167000110.5E143 N144 F149 I150 A151E143-I147 HydrophobicContact CG-CD1 4.1Å; E143-I147 WeakPolarHBondContact O-CG1 3.32Å; E143-I147 PolarHBondContact O-N 3.44Å; N144-I147 PolarHBondContact O-N 3.49Å; I147-F149 VanDerWaalsContact C-N 3.35Å; I147-F149 PolarHBondContact O-N 3.3Å; I147-I150 PolarHBondContact O-N 2.97Å; I147-A151 VanDerWaalsContact O-CB 3.29Å; I147-A151 WeakPolarHBondContact O-CB 3.29Å; I147-A151 PolarHBondContact O-N 2.92Å
148V98.7Very high97.7Very high69 Ų6946 Ų4642%0.41825%0.252SS..Hα-helixtrans-62.7-42.7178.2176.20000110.8V122 A126 N144 A145 F146 S152V122-V148 HydrophobicContact CG1-CG1 3.49Å; V122-V148 VanDerWaalsContact CG1-CG1 3.49Å; A126-V148 HydrophobicContact CB-CB 4.13Å; A126-V148 HydrophobicContact CB-CG1 3.83Å; N144-V148 VanDerWaalsContact O-CG2 3.31Å; N144-V148 WeakPolarHBondContact O-CG2 3.14Å; N144-V148 PolarHBondContact O-N 3.49Å; A145-V148 PolarHBondContact O-N 3.35Å; F146-V148 PolarHBondContact O-N 3.28Å; V148-S152 VanDerWaalsContact O-CB 3.26Å; V148-S152 WeakPolarHBondContact O-CB 3.15Å; V148-S152 PolarHBondContact O-N 2.97Å; V148-S152 PolarHBondContact O-OG 3.43Å
149F98.7Very high97.8Very high18 Ų1844 Ų448%0.07924%0.241CC..Hα-helixtrans-59-52177.1170.2-103.4000111.7E123 A126 L127 L130 A145 F146 I147 S152 S153E123-F149 HydrophobicContact CG-CD2 3.79Å; E123-F149 HydrophobicContact CG-CE2 3.62Å; E123-F149 WeakPolarHBondContact O-CD2 3.21Å; A126-F149 HydrophobicContact CB-CB 3.84Å; L127-F149 HydrophobicContact CB-CD2 3.82Å; L127-F149 HydrophobicContact CB-CE2 3.93Å; L127-F149 HydrophobicContact CD1-CD2 4.45Å; L127-F149 HydrophobicContact CD1-CE2 4.15Å; L127-F149 HydrophobicContact CD1-CZ 4.47Å; L127-F149 HydrophobicContact CD2-CE2 4.29Å; L127-F149 HydrophobicContact CG-CE2 4.35Å; L130-F149 HydrophobicContact CD2-CD1 4.46Å; A145-F149 VanDerWaalsContact O-CB 3.25Å; A145-F149 WeakPolarHBondContact O-CB 3.25Å; A145-F149 PolarHBondContact O-N 3.47Å; F146-F149 WeakPolarHBondContact O-CB 3.44Å; F146-F149 PolarHBondContact O-N 3.19Å; I147-F149 VanDerWaalsContact C-N 3.35Å; I147-F149 PolarHBondContact O-N 3.3Å; F149-S152 PolarHBondContact O-N 3.44Å; F149-S152 PolarHBondContact O-OG 3.03Å; F149-S153 WeakPolarHBondContact O-CB 3.15Å; F149-S153 PolarHBondContact O-N 2.84Å
150I98.4Very high98Very high7 Ų738.6 Ų38.64%0.03622%0.218CC..Hα-helixtrans-65.5-45.3-178.6-67.2-64.7000111.4F146 I147 S152 S153 L154 F194 V223F146-I150 HydrophobicContact CD1-CG1 4.44Å; F146-I150 HydrophobicContact CD2-CG1 4.21Å; F146-I150 HydrophobicContact CE1-CG1 4Å; F146-I150 HydrophobicContact CE2-CD1 4.06Å; F146-I150 HydrophobicContact CE2-CG1 3.75Å; F146-I150 HydrophobicContact CZ-CD1 4.14Å; F146-I150 HydrophobicContact CZ-CG1 3.64Å; F146-I150 WeakPolarHBondContact O-CG1 3.28Å; F146-I150 PolarHBondContact O-N 2.93Å; I147-I150 PolarHBondContact O-N 2.97Å; I150-S152 VanDerWaalsContact C-N 3.34Å; I150-S152 PolarHBondContact O-N 2.88Å; I150-S153 PolarHBondContact O-N 3.41Å; I150-L154 HydrophobicContact CG2-CD1 3.7Å; I150-L154 HydrophobicContact CG2-CG 4.18Å; I150-L154 WeakPolarHBondContact O-CB 3.32Å; I150-L154 WeakPolarHBondContact O-CG 3.48Å; I150-L154 PolarHBondContact O-N 2.86Å; I150-F194 HydrophobicContact CB-CE2 4.3Å; I150-F194 HydrophobicContact CD1-CD2 4.36Å; I150-F194 HydrophobicContact CG1-CD2 4.37Å; I150-F194 HydrophobicContact CG1-CE2 4.14Å; I150-F194 HydrophobicContact CG2-CD1 4.02Å; I150-F194 HydrophobicContact CG2-CD2 3.75Å; I150-F194 HydrophobicContact CG2-CE1 3.85Å; I150-F194 HydrophobicContact CG2-CE2 3.59Å; I150-F194 HydrophobicContact CG2-CG 3.97Å; I150-F194 HydrophobicContact CG2-CZ 3.63Å; I150-V223 HydrophobicContact CD1-CG1 3.9Å
151A98.6Very high97.9Very high63 Ų6335.1 Ų35.152%0.52120%0.197SC..Hα-helixtrans-61-44.918000000111.5I147 G155I147-A151 VanDerWaalsContact O-CB 3.29Å; I147-A151 WeakPolarHBondContact O-CB 3.29Å; I147-A151 PolarHBondContact O-N 2.92Å; A151-G155 PolarHBondContact O-N 3.42Å
152S98.7Very high97.8Very high4 Ų434.5 Ų34.53%0.02819%0.194CC..Hα-helixtrans-69.6-41.3178.158.40000112.8L119 E123 V148 F149 I150 G155 H156L119-S152 WeakPolarHBondContact O-CB 3.43Å; E123-S152 WeakPolarHBondContact CA-OG 3.37Å; E123-S152 WeakPolarHBondContact CB-OG 3.33Å; E123-S152 PolarHBondContact N-OG 2.96Å; V148-S152 VanDerWaalsContact O-CB 3.26Å; V148-S152 WeakPolarHBondContact O-CB 3.15Å; V148-S152 PolarHBondContact O-N 2.97Å; V148-S152 PolarHBondContact O-OG 3.43Å; F149-S152 PolarHBondContact O-N 3.44Å; F149-S152 PolarHBondContact O-OG 3.03Å; I150-S152 VanDerWaalsContact C-N 3.34Å; I150-S152 PolarHBondContact O-N 2.88Å; S152-G155 PolarHBondContact O-N 3.49Å; S152-H156 WeakPolarHBondContact O-CB 3.21Å; S152-H156 PolarHBondContact O-N 3.42Å
153S98.6Very high97.6Very high1 Ų134 Ų341%0.00719%0.191CC..Hα-helixtrans-59.2-54.5174169.10000111.7F149 I150 G155 H156 M157 N227F149-S153 WeakPolarHBondContact O-CB 3.15Å; F149-S153 PolarHBondContact O-N 2.84Å; I150-S153 PolarHBondContact O-N 3.41Å; S153-G155 VanDerWaalsContact C-N 3.34Å; S153-G155 PolarHBondContact O-N 2.95Å; S153-H156 PolarHBondContact O-N 2.96Å; S153-M157 VanDerWaalsContact O-CG 3.25Å; S153-M157 WeakPolarHBondContact O-CG 3.5Å; S153-M157 PolarHBondContact O-N 3.45Å; S153-N227 PolarHBondContact OG-ND2 3.25Å
154L98.6Very high97.3Very high18 Ų1830.1 Ų30.19%0.09417%0.173CC..Hα-helixtrans-62-42.5-179.6-73.4176000111.6I150 M157 L158 F187 N190 F191 F194I150-L154 HydrophobicContact CG2-CD1 3.7Å; I150-L154 HydrophobicContact CG2-CG 4.18Å; I150-L154 WeakPolarHBondContact O-CB 3.32Å; I150-L154 WeakPolarHBondContact O-CG 3.48Å; I150-L154 PolarHBondContact O-N 2.86Å; L154-M157 PolarHBondContact O-N 3.43Å; L154-L158 WeakPolarHBondContact O-CB 3.17Å; L154-L158 PolarHBondContact O-N 3.03Å; L154-F187 HydrophobicContact CD2-CE2 4.37Å; L154-N190 WeakPolarHBondContact CD2-OD1 3.49Å; L154-F191 HydrophobicContact CD2-CB 4.32Å; L154-F191 HydrophobicContact CD2-CD2 4.36Å; L154-F194 HydrophobicContact CD1-CD1 3.84Å; L154-F194 HydrophobicContact CD1-CE1 4.36Å; L154-F194 HydrophobicContact CD1-CG 4.37Å
155G98.6Very high96.9Very high20 Ų2034.7 Ų34.721%0.20618%0.184CC..Hα-helixtrans-61.9-43.6175.200000112.3L119 A151 S152 S153 L158 L159L119-G155 VanDerWaalsContact CD1-C 3.48Å; A151-G155 PolarHBondContact O-N 3.42Å; S152-G155 PolarHBondContact O-N 3.49Å; S153-G155 VanDerWaalsContact C-N 3.34Å; S153-G155 PolarHBondContact O-N 2.95Å; G155-L158 PolarHBondContact O-N 3.1Å; G155-L159 WeakPolarHBondContact O-CB 3.5Å; G155-L159 WeakPolarHBondContact O-CG 3.35Å; G155-L159 PolarHBondContact O-N 3.29Å
156H98.7Very high96.4Very high3 Ų337.4 Ų37.41%0.01420%0.196CC..Hα-helixtrans-63.3-46.8175.8172.227.8000111.8N116 L119 N120 E123 S152 S153 L158 L159 T160 H231N116-H156 PolarHBondContact ND2-ND1 3.49Å; N116-H156 PolarHBondContact OD1-ND1 2.82Å; N116-H156 PolarHBondContact OD1-O 3.36Å; N116-H156 VanDerWaalsContact OD1-O 3.07Å; L119-H156 HydrophobicContact CB-CB 4.01Å; N120-H156 PolarHBondContact ND2-CD2 3.42Å; N120-H156 PolarHBondContact ND2-NE2 2.83Å; E123-H156 IonicContact OE2-CD2 2.84Å; E123-H156 PolarHBondContact OE2-CD2 3.22Å; S152-H156 WeakPolarHBondContact O-CB 3.21Å; S152-H156 PolarHBondContact O-N 3.42Å; S153-H156 PolarHBondContact O-N 2.96Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.37Å; H156-L159 PolarHBondContact O-N 2.84Å; H156-T160 PolarHBondContact CE1-OG1 2.81Å; H156-T160 PolarHBondContact ND1-OG1 3.49Å; H156-T160 VanDerWaalsContact ND1-OG1 3.08Å; H156-T160 VanDerWaalsContact O-CB 3.25Å; H156-T160 WeakPolarHBondContact O-CB 3.14Å; H156-T160 PolarHBondContact O-N 2.9Å; H156-T160 PolarHBondContact O-OG1 2.65Å; H156-H231 AromaticContact CD2-CE1 3.81Å; H156-H231 AromaticContact NE2-CE1 3.77Å
157M98.5Very high95.7Very high0 Ų035.7 Ų35.70%019%0.192CC..Hα-helixtrans-60.6-44178.7-68.2171.690.800111.5S153 L154 T160 C161 F187 N190 F230S153-M157 VanDerWaalsContact O-CG 3.25Å; S153-M157 WeakPolarHBondContact O-CG 3.5Å; S153-M157 PolarHBondContact O-N 3.45Å; L154-M157 PolarHBondContact O-N 3.43Å; M157-T160 PolarHBondContact O-N 3.46Å; M157-C161 PolarHBondContact O-N 3.33Å; M157-C161 PolarHBondContact O-SG 3.28Å; M157-F187 HydrophobicContact CB-CB 4.3Å; M157-F187 HydrophobicContact CB-CD2 3.55Å; M157-F187 HydrophobicContact CB-CE2 4.33Å; M157-F187 HydrophobicContact CB-CG 4.26Å; M157-F187 HydrophobicContact CE-CB 4.32Å; M157-F187 HydrophobicContact SD-CD2 4.5Å; M157-N190 HydrophobicContact CE-CB 3.85Å; M157-N190 HydrophobicContact SD-CB 4.29Å; M157-F230 HydrophobicContact CB-CD2 4.39Å; M157-F230 HydrophobicContact CB-CE1 4.28Å; M157-F230 HydrophobicContact CB-CE2 3.94Å; M157-F230 HydrophobicContact CB-CZ 3.9Å; M157-F230 HydrophobicContact CE-CB 3.62Å; M157-F230 HydrophobicContact CE-CD1 4.42Å; M157-F230 HydrophobicContact CE-CD2 3.39Å; M157-F230 HydrophobicContact CE-CE2 4.13Å; M157-F230 HydrophobicContact CE-CG 3.57Å; M157-F230 HydrophobicContact CG-CD1 3.88Å; M157-F230 HydrophobicContact CG-CD2 4.02Å; M157-F230 HydrophobicContact CG-CE1 3.91Å; M157-F230 HydrophobicContact CG-CE2 4.02Å; M157-F230 HydrophobicContact CG-CG 3.95Å; M157-F230 HydrophobicContact CG-CZ 3.98Å
158L98.4Very high94.6Very high78 Ų7833.7 Ų33.741%0.40818%0.179SC..Hα-helixtrans-62.4-52.3176.7176.160.1000111.5L154 G155 H156 T160 C161 I162 F187L154-L158 WeakPolarHBondContact O-CB 3.17Å; L154-L158 PolarHBondContact O-N 3.03Å; G155-L158 PolarHBondContact O-N 3.1Å; H156-L158 VanDerWaalsContact C-N 3.34Å; H156-L158 PolarHBondContact O-N 3.37Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 2.84Å; L158-C161 WeakPolarHBondContact O-CB 3.25Å; L158-C161 PolarHBondContact O-N 3.21Å; L158-C161 VanDerWaalsContact O-N 3.11Å; L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.26Å; L158-I162 PolarHBondContact O-N 3.02Å; L158-F187 HydrophobicContact CB-CE1 4.42Å; L158-F187 HydrophobicContact CB-CE2 3.87Å; L158-F187 HydrophobicContact CB-CZ 3.76Å; L158-F187 HydrophobicContact CD1-CE1 3.84Å; L158-F187 HydrophobicContact CD1-CZ 3.83Å; L158-F187 HydrophobicContact CG-CZ 4.26Å
159L97.2Very high92.8Very high19 Ų1938.1 Ų38.110%0.09919%0.193CC..Hα-helixtrans-62.9-37.3-179.8-74.3-175.8000111.9L112 L115 N116 L119 G155 H156 C161 I162 L163L112-L159 HydrophobicContact CD2-CD2 3.8Å; L115-L159 HydrophobicContact CB-CD1 4.02Å; L115-L159 HydrophobicContact CD2-CD1 3.62Å; L115-L159 HydrophobicContact CG-CD1 3.55Å; N116-L159 HydrophobicContact CB-CB 4.04Å; N116-L159 HydrophobicContact CB-CD1 4.2Å; N116-L159 WeakPolarHBondContact OD1-CB 3.25Å; L119-L159 HydrophobicContact CD1-CD1 3.69Å; G155-L159 WeakPolarHBondContact O-CB 3.5Å; G155-L159 WeakPolarHBondContact O-CG 3.35Å; G155-L159 PolarHBondContact O-N 3.29Å; H156-L159 PolarHBondContact O-N 2.84Å; L159-C161 PolarHBondContact O-N 3.25Å; L159-I162 HydrophobicContact CD2-CD1 4.33Å; L159-I162 PolarHBondContact O-N 3.22Å; L159-L163 WeakPolarHBondContact O-CB 3.34Å; L159-L163 VanDerWaalsContact O-CG 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 3.42Å
160T96.5Very high90.7Very high1 Ų144.8 Ų44.81%0.00622%0.224CC..Hα-helixtrans-58.4-48.7172.3-64.70000110.3N116 H156 M157 L158 I162 L163 W164 K183 F230N116-T160 PolarHBondContact OD1-N 3.38Å; N116-T160 PolarHBondContact OD1-OG1 3.03Å; N116-T160 VanDerWaalsContact OD1-OG1 3.07Å; H156-T160 PolarHBondContact CE1-OG1 2.81Å; H156-T160 PolarHBondContact ND1-OG1 3.49Å; H156-T160 VanDerWaalsContact ND1-OG1 3.08Å; H156-T160 VanDerWaalsContact O-CB 3.25Å; H156-T160 WeakPolarHBondContact O-CB 3.14Å; H156-T160 PolarHBondContact O-N 2.9Å; H156-T160 PolarHBondContact O-OG1 2.65Å; M157-T160 PolarHBondContact O-N 3.46Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 2.84Å; T160-I162 VanDerWaalsContact C-N 3.26Å; T160-I162 PolarHBondContact O-N 2.79Å; T160-L163 PolarHBondContact O-N 3.32Å; T160-W164 WeakPolarHBondContact O-CB 3.43Å; T160-W164 PolarHBondContact O-N 3Å; T160-K183 HydrophobicContact CG2-CD 3.93Å; T160-F230 HydrophobicContact CG2-CE1 4.1Å; T160-F230 HydrophobicContact CG2-CZ 3.77Å
161C95.7Very high89Confident12 Ų1246.8 Ų46.88%0.08124%0.237CC..Hα-helixtrans-59.6-37.1177.1-67.40000112.6M157 L158 L159 R165 Y180M157-C161 PolarHBondContact O-N 3.33Å; M157-C161 PolarHBondContact O-SG 3.28Å; L158-C161 WeakPolarHBondContact O-CB 3.25Å; L158-C161 PolarHBondContact O-N 3.21Å; L158-C161 VanDerWaalsContact O-N 3.11Å; L159-C161 PolarHBondContact O-N 3.25Å; C161-R165 PolarHBondContact O-N 3.23Å; C161-R165 VanDerWaalsContact O-N 3.14Å; C161-Y180 WeakPolarHBondContact O-CE2 3.33Å
162I94.3Very high87.2Confident65 Ų6549.4 Ų49.433%0.33325%0.246SC..Hα-helixtrans-68.7-49.8176.5-66.5166.7000111L112 L158 L159 T160 W164 R165 L166L112-I162 HydrophobicContact CD1-CG2 4.45Å; L158-I162 HydrophobicContact CD1-CD1 4.12Å; L158-I162 HydrophobicContact CG-CD1 4.06Å; L158-I162 WeakPolarHBondContact O-CG1 3.26Å; L158-I162 PolarHBondContact O-N 3.02Å; L159-I162 HydrophobicContact CD2-CD1 4.33Å; L159-I162 PolarHBondContact O-N 3.22Å; T160-I162 VanDerWaalsContact C-N 3.26Å; T160-I162 PolarHBondContact O-N 2.79Å; I162-W164 VanDerWaalsContact C-N 3.29Å; I162-W164 PolarHBondContact O-N 3.2Å; I162-R165 WeakPolarHBondContact O-CB 3.45Å; I162-R165 PolarHBondContact O-N 2.82Å; I162-R165 VanDerWaalsContact O-N 3.08Å; I162-L166 HydrophobicContact CG2-CD1 4.14Å; I162-L166 HydrophobicContact CG2-CG 4.49Å; I162-L166 WeakPolarHBondContact O-CG 3.18Å; I162-L166 PolarHBondContact O-N 3.42Å
163L93.1Very high86.4Confident0 Ų051.3 Ų51.30%026%0.259CS..Hα-helixtrans-59.4-41.2179.4-73.3172.2000111.7Y99 Y109 L112 N116 L159 T160 L166 T167Y99-L163 HydrophobicContact CD2-CD1 4.15Å; Y99-L163 HydrophobicContact CE1-CB 4.26Å; Y99-L163 HydrophobicContact CE2-CD1 3.98Å; Y109-L163 HydrophobicContact CD2-CD2 3.87Å; Y109-L163 HydrophobicContact CE2-CD2 3.72Å; L112-L163 HydrophobicContact CB-CD2 3.8Å; N116-L163 HydrophobicContact CB-CD1 3.65Å; L159-L163 WeakPolarHBondContact O-CB 3.34Å; L159-L163 VanDerWaalsContact O-CG 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.37Å; L159-L163 PolarHBondContact O-N 3.42Å; T160-L163 PolarHBondContact O-N 3.32Å; L163-L166 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.99Å
164W90.3Very high85.7Confident3 Ų359.5 Ų59.51%0.01130%0.298CS..Hα-helixtrans-62.2-43.1174.1-86.371.9000111.8Y99 T160 I162 L166 T167 K168 D176 Y180 K183 D237Y99-W164 PolarHBondContact OH-NE1 3.13Å; Y99-W164 VanDerWaalsContact OH-NE1 3.14Å; T160-W164 WeakPolarHBondContact O-CB 3.43Å; T160-W164 PolarHBondContact O-N 3Å; I162-W164 VanDerWaalsContact C-N 3.29Å; I162-W164 PolarHBondContact O-N 3.2Å; W164-L166 VanDerWaalsContact C-N 3.27Å; W164-L166 PolarHBondContact O-N 3.25Å; W164-T167 PolarHBondContact O-N 3.32Å; W164-T167 PolarHBondContact O-OG1 2.82Å; W164-K168 HydrophobicContact CD2-CG 4.42Å; W164-K168 HydrophobicContact CE3-CB 4.28Å; W164-K168 HydrophobicContact CE3-CG 3.73Å; W164-K168 HydrophobicContact CZ3-CD 4.45Å; W164-K168 HydrophobicContact CZ3-CG 3.94Å; W164-K168 WeakPolarHBondContact O-CA 3.29Å; W164-K168 VanDerWaalsContact O-CB 3.29Å; W164-K168 WeakPolarHBondContact O-CB 3.4Å; W164-K168 PolarHBondContact O-N 2.88Å; W164-D176 HydrophobicContact CZ3-CB 4.25Å; W164-Y180 HydrophobicContact CB-CD2 3.61Å; W164-Y180 HydrophobicContact CB-CE2 3.81Å; W164-Y180 HydrophobicContact CG-CD2 4.34Å; W164-K183 HydrophobicContact CD2-CD 4.34Å; W164-K183 HydrophobicContact CG-CD 4.4Å; W164-D237 HydrophobicContact CH2-CB 4.25Å; W164-D237 VanDerWaalsContact CH2-CG 3.49Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.49Å; W164-D237 HydrophobicContact CZ2-CB 4.07Å; W164-D237 VanDerWaalsContact CZ2-OD1 3.23Å; W164-D237 WeakPolarHBondContact CZ2-OD1 3.48Å; W164-D237 VanDerWaalsContact CZ2-OD2 3.24Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.22Å
165R89.5Confident85.1Confident183 Ų18362.9 Ų62.969%0.69131%0.313SS*.Hα-helixtrans-61.1-36.6174.7-167.9177.1177.9-176.2-0.3112.5C161 I162C161-R165 PolarHBondContact O-N 3.23Å; C161-R165 VanDerWaalsContact O-N 3.14Å; I162-R165 WeakPolarHBondContact O-CB 3.45Å; I162-R165 PolarHBondContact O-N 2.82Å; I162-R165 VanDerWaalsContact O-N 3.08Å
166L88.2Confident84.5Confident65 Ų6563.1 Ų63.134%0.3431%0.309SS..Hα-helixtrans-75.3-33.5-178.7-68.7175.7000113.5Y109 L112 I162 L163 W164Y109-L166 HydrophobicContact CD2-CD1 4.46Å; L112-L166 HydrophobicContact CD1-CD1 4.12Å; I162-L166 HydrophobicContact CG2-CD1 4.14Å; I162-L166 HydrophobicContact CG2-CG 4.49Å; I162-L166 WeakPolarHBondContact O-CG 3.18Å; I162-L166 PolarHBondContact O-N 3.42Å; L163-L166 PolarHBondContact O-N 3.47Å; W164-L166 VanDerWaalsContact C-N 3.27Å; W164-L166 PolarHBondContact O-N 3.25Å
167T83.1Confident84Confident29 Ų2970.5 Ų70.518%0.17834%0.337CS..Hα-helixtrans-95.9-38.6-174.848.80000112.9C102 Y109 L163 W164C102-T167 HydrophobicContact CB-CG2 3.87Å; Y109-T167 HydrophobicContact CD2-CG2 4.4Å; Y109-T167 HydrophobicContact CE2-CG2 3.36Å; Y109-T167 VanDerWaalsContact OH-CG2 3.3Å; Y109-T167 WeakPolarHBondContact OH-CG2 3.46Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.99Å; W164-T167 PolarHBondContact O-N 3.32Å; W164-T167 PolarHBondContact O-OG1 2.82Å
168K73.4Confident83.7Confident50 Ų5075.5 Ų75.522%0.21736%0.359CS..SBendtrans-102.410.8-169.5-61-72.4-173.7164.20113.5W164 H170 T171 D176W164-K168 HydrophobicContact CD2-CG 4.42Å; W164-K168 HydrophobicContact CE3-CB 4.28Å; W164-K168 HydrophobicContact CE3-CG 3.73Å; W164-K168 HydrophobicContact CZ3-CD 4.45Å; W164-K168 HydrophobicContact CZ3-CG 3.94Å; W164-K168 WeakPolarHBondContact O-CA 3.29Å; W164-K168 VanDerWaalsContact O-CB 3.29Å; W164-K168 WeakPolarHBondContact O-CB 3.4Å; W164-K168 PolarHBondContact O-N 2.88Å; K168-H170 PolarHBondContact O-N 2.89Å; K168-T171 WeakPolarHBondContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CB-OG1 3.47Å; K168-T171 HydrophobicContact CD-CG2 3.74Å; K168-T171 WeakPolarHBondContact CD-OG1 3.35Å; K168-T171 PolarHBondContact O-N 2.92Å; K168-T171 PolarHBondContact O-OG1 3.38Å; K168-T171 VanDerWaalsContact O-OG1 3.1Å; K168-D176 WeakPolarHBondContact CE-OD2 3.18Å; K168-D176 IonicContact NZ-OD2 3.91Å; K168-D176 PolarHBondContact NZ-OD2 3.16Å
169K61.7Low83.4Confident162 Ų16271.8 Ų71.870%0.70434%0.339SS*.THydrogen-bonded Turntrans-51.8-30.3176.7-165.7178.6177.9-172.60112.7
170H54.6Low83.2Confident157 Ų15773.5 Ų73.573%0.72735%0.345SS*.THydrogen-bonded Turntrans-117.7-1.8-176.3-62.2-71.9000115K168K168-H170 PolarHBondContact O-N 2.89Å
171T62.1Low83.1Confident49 Ų4975.2 Ų75.230%0.30136%0.357SS..  trans-82.6134.2-177.746.80000111.8K168K168-T171 WeakPolarHBondContact CA-OG1 3.31Å; K168-T171 WeakPolarHBondContact CB-OG1 3.47Å; K168-T171 HydrophobicContact CD-CG2 3.74Å; K168-T171 WeakPolarHBondContact CD-OG1 3.35Å; K168-T171 PolarHBondContact O-N 2.92Å; K168-T171 PolarHBondContact O-OG1 3.38Å; K168-T171 VanDerWaalsContact O-OG1 3.1Å
172V61.5Low83.1Confident118 Ų11879.6 Ų79.672%0.71537%0.372SS*.  trans-94-13.8-159.5-177.70000113.7Q174V172-Q174 PolarHBondContact O-N 3.3Å
173S81.9Confident83.3Confident44 Ų4476.5 Ų76.531%0.30836%0.356SS..  trans-58.1130.9-175.5139.80000112.1E175 D176 R177S173-E175 VanDerWaalsContact C-N 3.25Å; S173-E175 PolarHBondContact O-N 2.94Å; S173-E175 PolarHBondContact OG-N 3.5Å; S173-D176 PolarHBondContact O-N 2.98Å; S173-D176 PolarHBondContact OG-N 3.45Å; S173-D176 PolarHBondContact OG-OD1 3.02Å; S173-R177 PolarHBondContact O-N 2.84Å
174Q84.4Confident83.5Confident174 Ų17480 Ų8081%0.81337%0.373SS*.Hα-helixtrans-63.5-33.7175.6-71.8-172.7-11.800111.7V172 R177 K178V172-Q174 PolarHBondContact O-N 3.3Å; Q174-R177 PolarHBondContact O-N 3.29Å; Q174-K178 WeakPolarHBondContact O-CB 3.46Å; Q174-K178 PolarHBondContact O-N 2.65Å
175E86Confident83.8Confident89 Ų8986.3 Ų86.342%0.41640%0.396SS..Hα-helixtrans-66.4-42.1177.3-62-171139.400111.4S173 R177 K178 S179S173-E175 VanDerWaalsContact C-N 3.25Å; S173-E175 PolarHBondContact O-N 2.94Å; S173-E175 PolarHBondContact OG-N 3.5Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.33Å; E175-K178 PolarHBondContact O-N 3.12Å; E175-S179 WeakPolarHBondContact O-CB 3.28Å; E175-S179 PolarHBondContact O-N 3.08Å
176D86.3Confident84.3Confident24 Ų2478.2 Ų78.213%0.12837%0.367CS..Hα-helixtrans-62.1-42.6178.1-68.518.4000110.5W164 K168 S173 S179 Y180W164-D176 HydrophobicContact CZ3-CB 4.25Å; K168-D176 WeakPolarHBondContact CE-OD2 3.18Å; K168-D176 IonicContact NZ-OD2 3.91Å; K168-D176 PolarHBondContact NZ-OD2 3.16Å; S173-D176 PolarHBondContact O-N 2.98Å; S173-D176 PolarHBondContact OG-N 3.45Å; S173-D176 PolarHBondContact OG-OD1 3.02Å; D176-S179 PolarHBondContact O-N 2.86Å; D176-Y180 WeakPolarHBondContact O-CB 3.37Å; D176-Y180 PolarHBondContact O-N 2.86Å
177R88.1Confident84.8Confident158 Ų15876.6 Ų76.660%0.59636%0.357SS*.Hα-helixtrans-65-42.7176.7-68.8-179.1-171.4-92.90.2111.7S173 Q174 E175 Y180 S181S173-R177 PolarHBondContact O-N 2.84Å; Q174-R177 PolarHBondContact O-N 3.29Å; E175-R177 VanDerWaalsContact C-N 3.33Å; E175-R177 PolarHBondContact O-N 3.33Å; R177-Y180 PolarHBondContact O-N 2.86Å; R177-S181 WeakPolarHBondContact O-CB 3.31Å; R177-S181 PolarHBondContact O-N 2.89Å
178K91Very high85.5Confident106 Ų10679.6 Ų79.646%0.46137%0.371SS..Hα-helixtrans-62.8-48.7177.5-175.5174.4-178.1-179.90110.4Q174 E175 Y180 S181 W182 W236Q174-K178 WeakPolarHBondContact O-CB 3.46Å; Q174-K178 PolarHBondContact O-N 2.65Å; E175-K178 PolarHBondContact O-N 3.12Å; K178-Y180 PolarHBondContact O-N 2.88Å; K178-S181 PolarHBondContact O-N 2.96Å; K178-W182 VanDerWaalsContact O-CD1 3.26Å; K178-W182 PolarHBondContact O-N 3.49Å; K178-W236 HydrophobicContact CD-CZ2 4.06Å; K178-W236 HydrophobicContact CG-CZ2 4.4Å
179S92.6Very high86.7Confident0 Ų080.9 Ų80.90%038%0.379CS..Hα-helixtrans-56.5-51.1176.6-170.60000111.4E175 D176 S181 W182 K183 T233 D237E175-S179 WeakPolarHBondContact O-CB 3.28Å; E175-S179 PolarHBondContact O-N 3.08Å; D176-S179 PolarHBondContact O-N 2.86Å; S179-S181 PolarHBondContact O-N 3.3Å; S179-W182 PolarHBondContact O-N 2.67Å; S179-K183 VanDerWaalsContact O-CG 3.31Å; S179-K183 WeakPolarHBondContact O-CG 3.39Å; S179-K183 PolarHBondContact O-N 2.88Å; S179-K183 VanDerWaalsContact OG-CE 3.23Å; S179-K183 WeakPolarHBondContact OG-CE 3.22Å; S179-T233 PolarHBondContact OG-O 3.48Å; S179-D237 WeakPolarHBondContact CB-OD1 3.28Å; S179-D237 PolarHBondContact OG-OD1 2.92Å
180Y93.3Very high88.5Confident54 Ų5473.2 Ų73.221%0.21235%0.346CS..Hα-helixtrans-59-46.2179.2-178.3-125.6000112.8C161 W164 D176 R177 K178 W182 K183 Q184C161-Y180 WeakPolarHBondContact O-CE2 3.33Å; W164-Y180 HydrophobicContact CB-CD2 3.61Å; W164-Y180 HydrophobicContact CB-CE2 3.81Å; W164-Y180 HydrophobicContact CG-CD2 4.34Å; D176-Y180 WeakPolarHBondContact O-CB 3.37Å; D176-Y180 PolarHBondContact O-N 2.86Å; R177-Y180 PolarHBondContact O-N 2.86Å; K178-Y180 PolarHBondContact O-N 2.88Å; Y180-W182 VanDerWaalsContact C-N 3.33Å; Y180-W182 PolarHBondContact O-N 2.54Å; Y180-K183 PolarHBondContact O-N 3.44Å; Y180-Q184 HydrophobicContact CD2-CG 4.32Å; Y180-Q184 HydrophobicContact CE2-CG 3.91Å; Y180-Q184 VanDerWaalsContact CZ-CD 3.46Å; Y180-Q184 WeakPolarHBondContact O-CG 3.25Å; Y180-Q184 PolarHBondContact O-N 2.81Å; Y180-Q184 PolarHBondContact OH-NE2 3.43Å; Y180-Q184 VanDerWaalsContact OH-NE2 3.08Å
181S93.8Very high90.6Very high38 Ų3870 Ų7027%0.26633%0.33SS..Hα-helixtrans-61-42.6178.4-171.70000112R177 K178 S179 Q184 R185R177-S181 WeakPolarHBondContact O-CB 3.31Å; R177-S181 PolarHBondContact O-N 2.89Å; K178-S181 PolarHBondContact O-N 2.96Å; S179-S181 PolarHBondContact O-N 3.3Å; S181-Q184 PolarHBondContact O-N 3.34Å; S181-R185 WeakPolarHBondContact O-CG 3.44Å; S181-R185 PolarHBondContact O-N 2.88Å; S181-R185 VanDerWaalsContact O-N 3.11Å
182W96.7Very high92.3Very high103 Ų10372.1 Ų72.139%0.3934%0.339SS..Hα-helixtrans-67-42.9176.4-83.7105.8000112.5K178 S179 Y180 Q184 R185 L186 T233 W236K178-W182 VanDerWaalsContact O-CD1 3.26Å; K178-W182 PolarHBondContact O-N 3.49Å; S179-W182 PolarHBondContact O-N 2.67Å; Y180-W182 VanDerWaalsContact C-N 3.33Å; Y180-W182 PolarHBondContact O-N 2.54Å; W182-Q184 VanDerWaalsContact C-N 3.3Å; W182-Q184 PolarHBondContact O-N 2.84Å; W182-R185 PolarHBondContact O-N 2.92Å; W182-L186 HydrophobicContact CB-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CD1 4.48Å; W182-L186 HydrophobicContact CE3-CG 4.35Å; W182-L186 VanDerWaalsContact O-CB 3.28Å; W182-L186 WeakPolarHBondContact O-CB 3.42Å; W182-L186 WeakPolarHBondContact O-CD1 3.3Å; W182-L186 WeakPolarHBondContact O-CG 3.39Å; W182-L186 PolarHBondContact O-N 3.28Å; W182-T233 HydrophobicContact CB-CG2 4.26Å; W182-W236 HydrophobicContact CB-CZ3 4.05Å; W182-W236 AromaticContact CD1-CH2 3.8Å; W182-W236 AromaticContact CD1-CZ3 3.85Å; W182-W236 HydrophobicContact CG-CH2 4.21Å; W182-W236 HydrophobicContact CG-CZ3 4.02Å
183K97.1Very high94.1Very high1 Ų167 Ų670%0.00431%0.308CS..Hα-helixtrans-54.5-46.8174.7-72177.4-160.4-68.40111.6Y95 T160 W164 S179 Y180 L186 F187 F230 T233 D237Y95-K183 PolarHBondContact OH-NZ 3.4Å; T160-K183 HydrophobicContact CG2-CD 3.93Å; W164-K183 HydrophobicContact CD2-CD 4.34Å; W164-K183 HydrophobicContact CG-CD 4.4Å; S179-K183 VanDerWaalsContact O-CG 3.31Å; S179-K183 WeakPolarHBondContact O-CG 3.39Å; S179-K183 PolarHBondContact O-N 2.88Å; S179-K183 VanDerWaalsContact OG-CE 3.23Å; S179-K183 WeakPolarHBondContact OG-CE 3.22Å; Y180-K183 PolarHBondContact O-N 3.44Å; K183-L186 PolarHBondContact O-N 2.95Å; K183-F187 VanDerWaalsContact O-CB 3.32Å; K183-F187 WeakPolarHBondContact O-CB 3.42Å; K183-F187 PolarHBondContact O-N 2.66Å; K183-F230 HydrophobicContact CB-CD2 4.25Å; K183-F230 HydrophobicContact CB-CE2 3.62Å; K183-F230 HydrophobicContact CB-CZ 4.15Å; K183-F230 HydrophobicContact CD-CZ 4.42Å; K183-F230 HydrophobicContact CG-CD2 4.4Å; K183-F230 HydrophobicContact CG-CE2 3.93Å; K183-F230 HydrophobicContact CG-CZ 4.12Å; K183-F230 WeakPolarHBondContact O-CE2 3.43Å; K183-T233 HydrophobicContact CG-CG2 4Å; K183-T233 PolarHBondContact NZ-OG1 3.01Å; K183-D237 VanDerWaalsContact CE-OD2 3.27Å; K183-D237 WeakPolarHBondContact CE-OD2 3.26Å; K183-D237 IonicContact NZ-OD1 3.64Å; K183-D237 IonicContact NZ-OD2 3.77Å; K183-D237 PolarHBondContact NZ-OD2 2.04Å
184Q97.1Very high94.9Very high74 Ų7466.6 Ų66.635%0.34630%0.301SS..Hα-helixtrans-63.1-47.6178.8-69.6-177.8-5900112.3Y180 S181 W182 F187 I188Y180-Q184 HydrophobicContact CD2-CG 4.32Å; Y180-Q184 HydrophobicContact CE2-CG 3.91Å; Y180-Q184 VanDerWaalsContact CZ-CD 3.46Å; Y180-Q184 WeakPolarHBondContact O-CG 3.25Å; Y180-Q184 PolarHBondContact O-N 2.81Å; Y180-Q184 PolarHBondContact OH-NE2 3.43Å; Y180-Q184 VanDerWaalsContact OH-NE2 3.08Å; S181-Q184 PolarHBondContact O-N 3.34Å; W182-Q184 VanDerWaalsContact C-N 3.3Å; W182-Q184 PolarHBondContact O-N 2.84Å; Q184-F187 PolarHBondContact O-N 2.89Å; Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.01Å; Q184-I188 PolarHBondContact O-N 2.95Å
185R98.4Very high95.5Very high135 Ų13563.1 Ų63.151%0.50928%0.283SS..Hα-helixtrans-61.1-47178.7-70.3173.6-171.3-1792111.3S181 W182 I188 I189S181-R185 WeakPolarHBondContact O-CG 3.44Å; S181-R185 PolarHBondContact O-N 2.88Å; S181-R185 VanDerWaalsContact O-N 3.11Å; W182-R185 PolarHBondContact O-N 2.92Å; R185-I188 PolarHBondContact O-N 3.4Å; R185-I189 VanDerWaalsContact O-CG1 3.23Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.03Å
186L98.5Very high96.2Very high13 Ų1361 Ų617%0.06828%0.279CS..Hα-helixtrans-63.8-41.8-179.8-70167.3000111.5W182 K183 N190 T226 A229 F230 T233W182-L186 HydrophobicContact CB-CD1 4.42Å; W182-L186 HydrophobicContact CE3-CD1 4.48Å; W182-L186 HydrophobicContact CE3-CG 4.35Å; W182-L186 VanDerWaalsContact O-CB 3.28Å; W182-L186 WeakPolarHBondContact O-CB 3.42Å; W182-L186 WeakPolarHBondContact O-CD1 3.3Å; W182-L186 WeakPolarHBondContact O-CG 3.39Å; W182-L186 PolarHBondContact O-N 3.28Å; K183-L186 PolarHBondContact O-N 2.95Å; L186-N190 WeakPolarHBondContact O-CB 3.42Å; L186-N190 PolarHBondContact O-N 3.05Å; L186-T226 HydrophobicContact CD2-CG2 4.11Å; L186-A229 HydrophobicContact CD1-CB 3.97Å; L186-A229 HydrophobicContact CD2-CB 3.74Å; L186-F230 HydrophobicContact CB-CB 4.36Å; L186-F230 HydrophobicContact CB-CD2 4.1Å; L186-F230 HydrophobicContact CD1-CB 4.39Å; L186-T233 HydrophobicContact CD1-CG2 4.04Å
187F98.6Very high96.7Very high30 Ų3060.2 Ų60.213%0.13228%0.275CS..Hα-helixtrans-59.8-48.6173.1170.4-114.2000112.1L154 M157 L158 K183 Q184 I189 N190 F191 F230L154-F187 HydrophobicContact CD2-CE2 4.37Å; M157-F187 HydrophobicContact CB-CB 4.3Å; M157-F187 HydrophobicContact CB-CD2 3.55Å; M157-F187 HydrophobicContact CB-CE2 4.33Å; M157-F187 HydrophobicContact CB-CG 4.26Å; M157-F187 HydrophobicContact CE-CB 4.32Å; M157-F187 HydrophobicContact SD-CD2 4.5Å; L158-F187 HydrophobicContact CB-CE1 4.42Å; L158-F187 HydrophobicContact CB-CE2 3.87Å; L158-F187 HydrophobicContact CB-CZ 3.76Å; L158-F187 HydrophobicContact CD1-CE1 3.84Å; L158-F187 HydrophobicContact CD1-CZ 3.83Å; L158-F187 HydrophobicContact CG-CZ 4.26Å; K183-F187 VanDerWaalsContact O-CB 3.32Å; K183-F187 WeakPolarHBondContact O-CB 3.42Å; K183-F187 PolarHBondContact O-N 2.66Å; Q184-F187 PolarHBondContact O-N 2.89Å; F187-I189 PolarHBondContact O-N 3.27Å; F187-N190 PolarHBondContact O-N 3.16Å; F187-F191 HydrophobicContact CE2-CB 4.43Å; F187-F191 HydrophobicContact CE2-CD2 4.29Å; F187-F191 HydrophobicContact CZ-CD2 4.15Å; F187-F191 VanDerWaalsContact O-CB 3.25Å; F187-F191 WeakPolarHBondContact O-CB 3.5Å; F187-F191 PolarHBondContact O-N 2.71Å; F187-F230 HydrophobicContact CB-CE2 4.44Å
188I98.6Very high97.2Very high93 Ų9355.8 Ų55.848%0.47726%0.263SS..Hα-helixtrans-62.2-46.6-179.5-68.8165.2000110.9Q184 R185 F191 I192Q184-I188 VanDerWaalsContact O-CG1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.01Å; Q184-I188 PolarHBondContact O-N 2.95Å; R185-I188 PolarHBondContact O-N 3.4Å; I188-F191 PolarHBondContact O-N 2.99Å; I188-I192 HydrophobicContact CG2-CD1 3.69Å; I188-I192 HydrophobicContact CG2-CG1 4.49Å; I188-I192 WeakPolarHBondContact O-CB 3.28Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.45Å
189I98.7Very high97.5Very high77 Ų7753.7 Ų53.740%0.39527%0.265SS..Hα-helixtrans-62.5-45.9178.4-64.3164000110.1R185 F187 I192 S193 T222 T226R185-I189 VanDerWaalsContact O-CG1 3.23Å; R185-I189 WeakPolarHBondContact O-CG1 3.48Å; R185-I189 PolarHBondContact O-N 3.03Å; F187-I189 PolarHBondContact O-N 3.27Å; I189-I192 PolarHBondContact O-N 3.07Å; I189-S193 WeakPolarHBondContact O-CB 3.2Å; I189-S193 PolarHBondContact O-N 3.38Å; I189-S193 PolarHBondContact O-OG 3.35Å; I189-T222 HydrophobicContact CG2-CG2 3.86Å; I189-T226 HydrophobicContact CB-CG2 4.27Å; I189-T226 HydrophobicContact CG2-CG2 3.78Å
190N98.6Very high97.8Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-59.8-49179.1-170.7-78.8000111.4L154 M157 L186 F187 S193 F194 V223 T226L154-N190 WeakPolarHBondContact CD2-OD1 3.49Å; M157-N190 HydrophobicContact CE-CB 3.85Å; M157-N190 HydrophobicContact SD-CB 4.29Å; L186-N190 WeakPolarHBondContact O-CB 3.42Å; L186-N190 PolarHBondContact O-N 3.05Å; F187-N190 PolarHBondContact O-N 3.16Å; N190-S193 PolarHBondContact O-N 3.19Å; N190-F194 WeakPolarHBondContact O-CB 3.36Å; N190-F194 PolarHBondContact O-N 2.8Å; N190-V223 PolarHBondContact ND2-O 3.13Å; N190-T226 WeakPolarHBondContact CB-OG1 3.19Å; N190-T226 PolarHBondContact ND2-OG1 3.31Å
191F98.7Very high98Very high90 Ų9056.4 Ų56.440%0.39528%0.279SS..Hα-helixtrans-58.3-52.3178.8-175.7-85.3000111.6L154 F187 I188 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 4.29Å; F187-F191 HydrophobicContact CZ-CD2 4.15Å; F187-F191 VanDerWaalsContact O-CB 3.25Å; F187-F191 WeakPolarHBondContact O-CB 3.5Å; F187-F191 PolarHBondContact O-N 2.71Å; I188-F191 PolarHBondContact O-N 2.99Å; F191-S193 VanDerWaalsContact C-N 3.33Å; F191-S193 PolarHBondContact O-N 2.91Å; F191-F194 PolarHBondContact O-N 2.95Å; F191-F195 AromaticContact CD1-CD2 3.92Å; F191-F195 HydrophobicContact CD1-CD2 3.92Å; F191-F195 HydrophobicContact CD1-CE2 4.2Å; F191-F195 HydrophobicContact CD2-CD2 4.31Å; F191-F195 AromaticContact CD2-CE2 3.85Å; F191-F195 HydrophobicContact CD2-CE2 3.85Å; F191-F195 AromaticContact CE1-CD2 3.67Å; F191-F195 HydrophobicContact CE1-CD2 3.67Å; F191-F195 AromaticContact CE1-CE2 3.75Å; F191-F195 HydrophobicContact CE1-CE2 3.75Å; F191-F195 HydrophobicContact CE2-CD2 4.11Å; F191-F195 AromaticContact CE2-CE2 3.39Å; F191-F195 HydrophobicContact CE2-CE2 3.39Å; F191-F195 HydrophobicContact CE2-CZ 4.3Å; F191-F195 HydrophobicContact CG-CD2 4.23Å; F191-F195 HydrophobicContact CG-CE2 4.24Å; F191-F195 AromaticContact CZ-CD2 3.77Å; F191-F195 HydrophobicContact CZ-CD2 3.77Å; F191-F195 AromaticContact CZ-CE2 3.32Å; F191-F195 HydrophobicContact CZ-CE2 3.32Å; F191-F195 HydrophobicContact CZ-CZ 4.2Å; F191-F195 VanDerWaalsContact O-CD2 3.3Å; F191-F195 WeakPolarHBondContact O-CD2 3.25Å; F191-F195 PolarHBondContact O-N 3.48Å; F191-F195 VanDerWaalsContact O-N 3.17Å
192I98.7Very high98.2Very high94 Ų9460 Ų6048%0.48229%0.29SS..Hα-helixtrans-62-42.9179.2-67.8169.9000110.7I188 I189 F194 S196I188-I192 HydrophobicContact CG2-CD1 3.69Å; I188-I192 HydrophobicContact CG2-CG1 4.49Å; I188-I192 WeakPolarHBondContact O-CB 3.28Å; I188-I192 VanDerWaalsContact O-CG1 3.31Å; I188-I192 WeakPolarHBondContact O-CG1 3.38Å; I188-I192 PolarHBondContact O-N 3.45Å; I189-I192 PolarHBondContact O-N 3.07Å; I192-F194 VanDerWaalsContact C-N 3.35Å; I192-F194 PolarHBondContact O-N 2.97Å; I192-S196 VanDerWaalsContact O-CB 3.26Å; I192-S196 WeakPolarHBondContact O-CB 3.29Å; I192-S196 PolarHBondContact O-N 2.97Å; I192-S196 PolarHBondContact O-OG 3.47Å
193S98.6Very high98.2Very high11 Ų1161 Ų618%0.07729%0.293CS..Hα-helixtrans-63.7-41-179.5-57.40000111.5I189 N190 F191 S196 A197 T222I189-S193 WeakPolarHBondContact O-CB 3.2Å; I189-S193 PolarHBondContact O-N 3.38Å; I189-S193 PolarHBondContact O-OG 3.35Å; N190-S193 PolarHBondContact O-N 3.19Å; F191-S193 VanDerWaalsContact C-N 3.33Å; F191-S193 PolarHBondContact O-N 2.91Å; S193-S196 PolarHBondContact O-N 3.26Å; S193-A197 VanDerWaalsContact O-CB 3.3Å; S193-A197 WeakPolarHBondContact O-CB 3.3Å; S193-A197 PolarHBondContact O-N 3.47Å; S193-T222 VanDerWaalsContact OG-CG2 3.28Å; S193-T222 WeakPolarHBondContact OG-CG2 3.31Å
194F98.6Very high98.3Very high35 Ų3561.1 Ų61.115%0.15429%0.294CS..Hα-helixtrans-64.1-51.2178.3171.4-108.2000112.3F146 I150 L154 N190 F191 I192 S196 A197 L198 V223F146-F194 HydrophobicContact CE1-CE2 4.33Å; F146-F194 HydrophobicContact CZ-CE2 4.38Å; I150-F194 HydrophobicContact CB-CE2 4.3Å; I150-F194 HydrophobicContact CD1-CD2 4.36Å; I150-F194 HydrophobicContact CG1-CD2 4.37Å; I150-F194 HydrophobicContact CG1-CE2 4.14Å; I150-F194 HydrophobicContact CG2-CD1 4.02Å; I150-F194 HydrophobicContact CG2-CD2 3.75Å; I150-F194 HydrophobicContact CG2-CE1 3.85Å; I150-F194 HydrophobicContact CG2-CE2 3.59Å; I150-F194 HydrophobicContact CG2-CG 3.97Å; I150-F194 HydrophobicContact CG2-CZ 3.63Å; L154-F194 HydrophobicContact CD1-CD1 3.84Å; L154-F194 HydrophobicContact CD1-CE1 4.36Å; L154-F194 HydrophobicContact CD1-CG 4.37Å; N190-F194 WeakPolarHBondContact O-CB 3.36Å; N190-F194 PolarHBondContact O-N 2.8Å; F191-F194 PolarHBondContact O-N 2.95Å; I192-F194 VanDerWaalsContact C-N 3.35Å; I192-F194 PolarHBondContact O-N 2.97Å; F194-S196 VanDerWaalsContact C-N 3.27Å; F194-S196 PolarHBondContact O-N 3.35Å; F194-A197 WeakPolarHBondContact O-CB 3.18Å; F194-A197 PolarHBondContact O-N 3.49Å; F194-A197 VanDerWaalsContact O-N 3.13Å; F194-L198 PolarHBondContact O-N 3.45Å; F194-V223 HydrophobicContact CB-CG2 3.89Å
195F98.5Very high98.2Very high100 Ų10060.3 Ų60.344%0.43929%0.292SS..Hα-helixtrans-66.7-32.4179.6-76.9-75.2000112.4F191 L198 A199F191-F195 AromaticContact CD1-CD2 3.92Å; F191-F195 HydrophobicContact CD1-CD2 3.92Å; F191-F195 HydrophobicContact CD1-CE2 4.2Å; F191-F195 HydrophobicContact CD2-CD2 4.31Å; F191-F195 AromaticContact CD2-CE2 3.85Å; F191-F195 HydrophobicContact CD2-CE2 3.85Å; F191-F195 AromaticContact CE1-CD2 3.67Å; F191-F195 HydrophobicContact CE1-CD2 3.67Å; F191-F195 AromaticContact CE1-CE2 3.75Å; F191-F195 HydrophobicContact CE1-CE2 3.75Å; F191-F195 HydrophobicContact CE2-CD2 4.11Å; F191-F195 AromaticContact CE2-CE2 3.39Å; F191-F195 HydrophobicContact CE2-CE2 3.39Å; F191-F195 HydrophobicContact CE2-CZ 4.3Å; F191-F195 HydrophobicContact CG-CD2 4.23Å; F191-F195 HydrophobicContact CG-CE2 4.24Å; F191-F195 AromaticContact CZ-CD2 3.77Å; F191-F195 HydrophobicContact CZ-CD2 3.77Å; F191-F195 AromaticContact CZ-CE2 3.32Å; F191-F195 HydrophobicContact CZ-CE2 3.32Å; F191-F195 HydrophobicContact CZ-CZ 4.2Å; F191-F195 VanDerWaalsContact O-CD2 3.3Å; F191-F195 WeakPolarHBondContact O-CD2 3.25Å; F191-F195 PolarHBondContact O-N 3.48Å; F191-F195 VanDerWaalsContact O-N 3.17Å; F195-L198 PolarHBondContact O-N 2.86Å; F195-A199 PolarHBondContact O-N 3.19Å
196S98.7Very high98.2Very high46 Ų4660.1 Ų60.132%0.32230%0.299SS..Hα-helixtrans-65.9-43.7171.2-56.30000111.1I192 S193 F194 L198 A199 V200I192-S196 VanDerWaalsContact O-CB 3.26Å; I192-S196 WeakPolarHBondContact O-CB 3.29Å; I192-S196 PolarHBondContact O-N 2.97Å; I192-S196 PolarHBondContact O-OG 3.47Å; S193-S196 PolarHBondContact O-N 3.26Å; F194-S196 VanDerWaalsContact C-N 3.27Å; F194-S196 PolarHBondContact O-N 3.35Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.38Å; S196-A199 PolarHBondContact O-N 3.02Å; S196-V200 WeakPolarHBondContact O-CB 3.33Å; S196-V200 VanDerWaalsContact O-CG2 3.27Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 2.92Å
197A98.5Very high98.1Very high6 Ų666.7 Ų66.75%0.0532%0.324CS..Hα-helixtrans-59.7-42.9176.600000110.7S193 F194 V200 Y201 F216 L219S193-A197 VanDerWaalsContact O-CB 3.3Å; S193-A197 WeakPolarHBondContact O-CB 3.3Å; S193-A197 PolarHBondContact O-N 3.47Å; F194-A197 WeakPolarHBondContact O-CB 3.18Å; F194-A197 PolarHBondContact O-N 3.49Å; F194-A197 VanDerWaalsContact O-N 3.13Å; A197-V200 PolarHBondContact O-N 2.87Å; A197-Y201 VanDerWaalsContact O-CB 3.26Å; A197-Y201 WeakPolarHBondContact O-CB 3.38Å; A197-Y201 PolarHBondContact O-N 2.92Å; A197-F216 HydrophobicContact CB-CD2 4.1Å; A197-F216 HydrophobicContact CB-CE2 4.27Å; A197-F216 WeakPolarHBondContact O-CD2 3.32Å; A197-L219 HydrophobicContact CB-CB 3.74Å; A197-L219 HydrophobicContact CB-CD1 4.47Å
198L97.9Very high98.1Very high66 Ų6667.3 Ų67.335%0.34633%0.331SS..Hα-helixtrans-60.8-46.4176.5-174.962.4000111.9F194 F195 S196 V200 Y201 F202F194-L198 PolarHBondContact O-N 3.45Å; F195-L198 PolarHBondContact O-N 2.86Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.38Å; L198-V200 PolarHBondContact O-N 3.34Å; L198-Y201 WeakPolarHBondContact O-CB 3.5Å; L198-Y201 PolarHBondContact O-N 3.15Å; L198-F202 HydrophobicContact CD1-CD2 4.03Å; L198-F202 HydrophobicContact CD1-CE2 3.42Å; L198-F202 VanDerWaalsContact CD1-CE2 3.42Å; L198-F202 HydrophobicContact CD1-CZ 4.09Å; L198-F202 HydrophobicContact CD2-CE2 4.28Å; L198-F202 HydrophobicContact CG-CD2 4Å; L198-F202 HydrophobicContact CG-CE2 3.63Å; L198-F202 WeakPolarHBondContact O-CD2 3.47Å; L198-F202 PolarHBondContact O-N 3.38Å
199A98.4Very high98Very high62 Ų6266.3 Ų66.351%0.51232%0.324SS..Hα-helixtrans-62-43.117700000112.2F195 S196 F202 R203F195-A199 PolarHBondContact O-N 3.19Å; S196-A199 PolarHBondContact O-N 3.02Å; A199-F202 PolarHBondContact O-N 3.47Å; A199-R203 WeakPolarHBondContact O-CB 3.33Å; A199-R203 PolarHBondContact O-N 3.41Å
200V98.3Very high97.9Very high26 Ų2665.7 Ų65.716%0.15833%0.331CS..Hα-helixtrans-68.7-36.4178175.70000111.4S196 A197 L198 R203 H204 V212 I215 F216 L219S196-V200 WeakPolarHBondContact O-CB 3.33Å; S196-V200 VanDerWaalsContact O-CG2 3.27Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 2.92Å; A197-V200 PolarHBondContact O-N 2.87Å; L198-V200 PolarHBondContact O-N 3.34Å; V200-R203 WeakPolarHBondContact O-CB 3.37Å; V200-R203 PolarHBondContact O-N 2.9Å; V200-H204 PolarHBondContact O-N 2.95Å; V200-V212 HydrophobicContact CG1-CG1 3.6Å; V200-V212 VanDerWaalsContact CG1-O 3.27Å; V200-V212 WeakPolarHBondContact CG1-O 3.26Å; V200-I215 HydrophobicContact CG1-CB 4.04Å; V200-I215 HydrophobicContact CG1-CG2 4.03Å; V200-I215 HydrophobicContact CG2-CG2 4.15Å; V200-F216 HydrophobicContact CG1-CB 3.88Å; V200-L219 HydrophobicContact CB-CD1 4.41Å; V200-L219 HydrophobicContact CG2-CD1 3.92Å
201Y96.7Very high97.8Very high85 Ų8566.4 Ų66.433%0.33334%0.338SS..Hα-helixtrans-60.7-48.9173.9176.9-99.7000111.2A197 L198 R203 H204 N205 F216A197-Y201 VanDerWaalsContact O-CB 3.26Å; A197-Y201 WeakPolarHBondContact O-CB 3.38Å; A197-Y201 PolarHBondContact O-N 2.92Å; L198-Y201 WeakPolarHBondContact O-CB 3.5Å; L198-Y201 PolarHBondContact O-N 3.15Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; Y201-R203 PolarHBondContact O-N 2.98Å; Y201-H204 PolarHBondContact O-N 3.36Å; Y201-N205 WeakPolarHBondContact CD1-ND2 3.45Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.31Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.33Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; Y201-N205 PolarHBondContact O-N 2.98Å; Y201-N205 VanDerWaalsContact O-N 3.07Å; Y201-N205 PolarHBondContact O-ND2 2.83Å; Y201-F216 HydrophobicContact CD2-CD2 4.36Å; Y201-F216 HydrophobicContact CD2-CE2 4.07Å; Y201-F216 HydrophobicContact CD2-CZ 4.21Å; Y201-F216 HydrophobicContact CG-CE2 4.37Å
202F97.7Very high97.8Very high113 Ų11362.7 Ų62.750%0.49632%0.322SS..Hα-helixtrans-62.1-42.1175.4-75.5-60.3000111.9L198 A199 H204 N205 M206L198-F202 HydrophobicContact CD1-CD2 4.03Å; L198-F202 HydrophobicContact CD1-CE2 3.42Å; L198-F202 VanDerWaalsContact CD1-CE2 3.42Å; L198-F202 HydrophobicContact CD1-CZ 4.09Å; L198-F202 HydrophobicContact CD2-CE2 4.28Å; L198-F202 HydrophobicContact CG-CD2 4Å; L198-F202 HydrophobicContact CG-CE2 3.63Å; L198-F202 WeakPolarHBondContact O-CD2 3.47Å; L198-F202 PolarHBondContact O-N 3.38Å; A199-F202 PolarHBondContact O-N 3.47Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 2.69Å; F202-N205 PolarHBondContact O-N 3.48Å; F202-M206 WeakPolarHBondContact O-CB 3.23Å; F202-M206 VanDerWaalsContact O-CG 3.28Å; F202-M206 WeakPolarHBondContact O-CG 3.39Å; F202-M206 PolarHBondContact O-N 3.31Å
203R98.2Very high97.8Very high124 Ų12459.3 Ų59.347%0.46830%0.304SS..Hα-helixtrans-57.4-46.4175.3-173.8-177177.3114.54.9111.8A199 V200 Y201 N205 M206 Y207 E209 V212A199-R203 WeakPolarHBondContact O-CB 3.33Å; A199-R203 PolarHBondContact O-N 3.41Å; V200-R203 WeakPolarHBondContact O-CB 3.37Å; V200-R203 PolarHBondContact O-N 2.9Å; Y201-R203 VanDerWaalsContact C-N 3.34Å; Y201-R203 PolarHBondContact O-N 2.98Å; R203-N205 PolarHBondContact O-N 3.32Å; R203-M206 PolarHBondContact O-N 3.06Å; R203-Y207 HydrophobicContact CB-CD2 4.5Å; R203-Y207 HydrophobicContact CG-CD2 3.77Å; R203-Y207 HydrophobicContact CG-CE2 4.37Å; R203-Y207 WeakPolarHBondContact O-CD2 3.4Å; R203-Y207 PolarHBondContact O-N 3.39Å; R203-E209 IonicContact CZ-OE1 3.2Å; R203-E209 IonicContact CZ-OE2 3.8Å; R203-E209 IonicContact NE-OE1 2.68Å; R203-E209 IonicContact NE-OE2 2.88Å; R203-E209 PolarHBondContact NE-OE2 2.83Å; R203-E209 VanDerWaalsContact NH2-CD 3.3Å; R203-E209 IonicContact NH2-OE1 2.98Å; R203-E209 PolarHBondContact NH2-OE1 3.46Å; R203-E209 IonicContact NH2-OE2 3.83Å; R203-E209 PolarHBondContact NH2-OE2 3.13Å; R203-V212 HydrophobicContact CB-CG1 4.32Å; R203-V212 HydrophobicContact CG-CG1 4.29Å
204H97.5Very high97.7Very high4 Ų459.5 Ų59.52%0.01931%0.305CS..Hα-helixtrans-58.9-47.8177.5-176.868.6000111.6T52 V200 Y201 F202 M206 C208 V212T52-H204 PolarHBondContact OG1-NE2 3.42Å; V200-H204 PolarHBondContact O-N 2.95Å; Y201-H204 PolarHBondContact O-N 3.36Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 2.69Å; H204-M206 VanDerWaalsContact C-N 3.3Å; H204-M206 PolarHBondContact O-N 3.09Å; H204-C208 VanDerWaalsContact O-CA 3.31Å; H204-C208 WeakPolarHBondContact O-CA 3.45Å; H204-C208 PolarHBondContact O-N 3.15Å; H204-V212 HydrophobicContact CB-CB 4.37Å; H204-V212 HydrophobicContact CB-CG1 3.88Å
205N96.3Very high97.7Very high57 Ų5762 Ų6231%0.30532%0.319SS..Hα-helixtrans-69.4-25-179.3-71.2-66.5000113.7H53 Y201 F202 R203H53-N205 PolarHBondContact CE1-OD1 3.08Å; Y201-N205 WeakPolarHBondContact CD1-ND2 3.45Å; Y201-N205 WeakPolarHBondContact CE1-ND2 3.31Å; Y201-N205 VanDerWaalsContact CE2-ND2 3.33Å; Y201-N205 WeakPolarHBondContact CE2-ND2 3.31Å; Y201-N205 PolarHBondContact O-N 2.98Å; Y201-N205 VanDerWaalsContact O-N 3.07Å; Y201-N205 PolarHBondContact O-ND2 2.83Å; F202-N205 PolarHBondContact O-N 3.48Å; R203-N205 PolarHBondContact O-N 3.32Å
206M97.5Very high97.7Very high131 Ų13158.6 Ų58.665%0.64530%0.304SS*.Hα-helixtrans-89-39.7179.8-71.7-179.567.900113.3F202 R203 H204F202-M206 WeakPolarHBondContact O-CB 3.23Å; F202-M206 VanDerWaalsContact O-CG 3.28Å; F202-M206 WeakPolarHBondContact O-CG 3.39Å; F202-M206 PolarHBondContact O-N 3.31Å; R203-M206 PolarHBondContact O-N 3.06Å; H204-M206 VanDerWaalsContact C-N 3.3Å; H204-M206 PolarHBondContact O-N 3.09Å
207Y97.4Very high97.7Very high151 Ų15156.4 Ų56.459%0.59229%0.288SS*.Hα-helixtrans-112.9-13-169.8-59.4-74.7000113.9R203 E209R203-Y207 HydrophobicContact CB-CD2 4.5Å; R203-Y207 HydrophobicContact CG-CD2 3.77Å; R203-Y207 HydrophobicContact CG-CE2 4.37Å; R203-Y207 WeakPolarHBondContact O-CD2 3.4Å; R203-Y207 PolarHBondContact O-N 3.39Å; Y207-E209 PolarHBondContact O-N 3.17Å; Y207-E209 VanDerWaalsContact O-N 3.13Å
208C97.2Very high97.7Very high43 Ų4360 Ų6029%0.29131%0.306SS..  trans49.139.4-179.4-75.50000113.4C54 V56 H204C54-C208 HydrophobicContact CB-CB 3.48Å; C54-C208 VanDerWaalsContact CB-CB 3.48Å; C54-C208 WeakPolarHBondContact CB-SG 3.3Å; C54-C208 WeakPolarHBondContact SG-CA 3.38Å; C54-C208 WeakPolarHBondContact SG-CB 3.22Å; C54-C208 CovalentContact SG-SG 2.04Å; C54-C208 PolarHBondContact SG-SG 3.44Å; V56-C208 WeakPolarHBondContact CG1-O 3.3Å; H204-C208 VanDerWaalsContact O-CA 3.31Å; H204-C208 WeakPolarHBondContact O-CA 3.45Å; H204-C208 PolarHBondContact O-N 3.15Å
209E97.4Very high97.8Very high71 Ų7158.5 Ų58.533%0.33230%0.298SS..  trans-76.6138.2-179.7-71.4168.1107.500111.3R203 Y207 G211 V212R203-E209 IonicContact CZ-OE1 3.2Å; R203-E209 IonicContact CZ-OE2 3.8Å; R203-E209 IonicContact NE-OE1 2.68Å; R203-E209 IonicContact NE-OE2 2.88Å; R203-E209 PolarHBondContact NE-OE2 2.83Å; R203-E209 VanDerWaalsContact NH2-CD 3.3Å; R203-E209 IonicContact NH2-OE1 2.98Å; R203-E209 PolarHBondContact NH2-OE1 3.46Å; R203-E209 IonicContact NH2-OE2 3.83Å; R203-E209 PolarHBondContact NH2-OE2 3.13Å; Y207-E209 PolarHBondContact O-N 3.17Å; Y207-E209 VanDerWaalsContact O-N 3.13Å; E209-G211 PolarHBondContact O-N 3.47Å; E209-V212 HydrophobicContact CB-CB 4.46Å; E209-V212 HydrophobicContact CB-CG2 3.51Å; E209-V212 PolarHBondContact O-N 3.47Å
210A97.2Very high97.8Very high65 Ų6556.3 Ų56.354%0.53728%0.277SS..THydrogen-bonded Turntrans-56.6136.6177.200000112.2V56 P57 V212V56-A210 HydrophobicContact CB-CB 4.46Å; P57-A210 HydrophobicContact CG-CB 3.85Å; A210-V212 PolarHBondContact O-N 2.8Å
211G96.7Very high97.8Very high14 Ų1456.3 Ų56.314%0.14428%0.275CS..THydrogen-bonded Turntrans75.2-9.4177.600000115.8P57 E209 Y213 T214 I215P57-G211 PolarHBondContact O-N 3.5Å; E209-G211 PolarHBondContact O-N 3.47Å; G211-Y213 PolarHBondContact O-N 3.17Å; G211-T214 WeakPolarHBondContact O-CA 3.34Å; G211-T214 WeakPolarHBondContact O-CB 3.37Å; G211-T214 PolarHBondContact O-N 3.43Å; G211-I215 PolarHBondContact O-N 3.31Å; G211-I215 VanDerWaalsContact O-N 3.14Å
212V98.1Very high97.9Very high12 Ų1254.2 Ų54.27%0.07327%0.271CS..Hα-helixtrans-65.6-38.8180178.30000111.5V200 R203 H204 E209 A210 T214 I215 F216V200-V212 HydrophobicContact CG1-CG1 3.6Å; V200-V212 VanDerWaalsContact CG1-O 3.27Å; V200-V212 WeakPolarHBondContact CG1-O 3.26Å; R203-V212 HydrophobicContact CB-CG1 4.32Å; R203-V212 HydrophobicContact CG-CG1 4.29Å; H204-V212 HydrophobicContact CB-CB 4.37Å; H204-V212 HydrophobicContact CB-CG1 3.88Å; E209-V212 HydrophobicContact CB-CB 4.46Å; E209-V212 HydrophobicContact CB-CG2 3.51Å; E209-V212 PolarHBondContact O-N 3.47Å; A210-V212 PolarHBondContact O-N 2.8Å; V212-T214 PolarHBondContact O-N 2.71Å; V212-I215 WeakPolarHBondContact O-CB 3.49Å; V212-I215 PolarHBondContact O-N 3.41Å; V212-I215 VanDerWaalsContact O-N 3.12Å; V212-F216 PolarHBondContact O-N 2.88Å
213Y97.6Very high97.9Very high23 Ų2349.3 Ų49.39%0.0925%0.25CC..Hα-helixtrans-62.6-30171.6179.8-99.3000112.9T52 N58 L60 S62 S65 G211 F216 A217T52-Y213 HydrophobicContact CG2-CD1 3.86Å; T52-Y213 HydrophobicContact CG2-CD2 3.77Å; T52-Y213 HydrophobicContact CG2-CE1 4.07Å; T52-Y213 HydrophobicContact CG2-CE2 3.99Å; T52-Y213 HydrophobicContact CG2-CG 3.7Å; N58-Y213 HydrophobicContact CB-CD1 4.04Å; N58-Y213 WeakPolarHBondContact OD1-CB 3.42Å; L60-Y213 WeakPolarHBondContact O-CE1 3.31Å; S62-Y213 WeakPolarHBondContact CB-OH 3.3Å; S62-Y213 PolarHBondContact N-OH 3.46Å; S62-Y213 PolarHBondContact OG-OH 3.34Å; S65-Y213 PolarHBondContact OG-OH 3.43Å; G211-Y213 PolarHBondContact O-N 3.17Å; Y213-F216 AromaticContact CD2-CD1 3.96Å; Y213-F216 HydrophobicContact CD2-CD1 3.96Å; Y213-F216 AromaticContact CE2-CD1 3.93Å; Y213-F216 HydrophobicContact CE2-CD1 3.93Å; Y213-F216 HydrophobicContact CE2-CE1 4.18Å; Y213-F216 WeakPolarHBondContact O-CB 3.49Å; Y213-F216 PolarHBondContact O-N 2.91Å; Y213-A217 PolarHBondContact O-N 2.69Å
214T98.2Very high97.9Very high15 Ų1544.8 Ų44.89%0.09224%0.236CC..Hα-helixtrans-66.3-40.4173.9-54.40000110.9Y59 L60 G211 V212 F216 A217 I218Y59-T214 HydrophobicContact CD2-CG2 4.37Å; Y59-T214 PolarHBondContact N-OG1 3.42Å; L60-T214 HydrophobicContact CB-CG2 3.94Å; L60-T214 HydrophobicContact CD1-CG2 3.86Å; L60-T214 HydrophobicContact CG-CG2 3.87Å; G211-T214 WeakPolarHBondContact O-CA 3.34Å; G211-T214 WeakPolarHBondContact O-CB 3.37Å; G211-T214 PolarHBondContact O-N 3.43Å; V212-T214 PolarHBondContact O-N 2.71Å; T214-F216 VanDerWaalsContact C-N 3.34Å; T214-A217 PolarHBondContact O-N 2.96Å; T214-I218 HydrophobicContact CG2-CD1 4.44Å; T214-I218 WeakPolarHBondContact O-CG1 3.33Å; T214-I218 PolarHBondContact O-N 3.04Å
215I98.4Very high98Very high89 Ų8947.9 Ų47.946%0.45625%0.252SS..Hα-helixtrans-64-42.2174.6-60.3170.8000110.3V200 G211 V212 A217 I218 L219V200-I215 HydrophobicContact CG1-CB 4.04Å; V200-I215 HydrophobicContact CG1-CG2 4.03Å; V200-I215 HydrophobicContact CG2-CG2 4.15Å; G211-I215 PolarHBondContact O-N 3.31Å; G211-I215 VanDerWaalsContact O-N 3.14Å; V212-I215 WeakPolarHBondContact O-CB 3.49Å; V212-I215 PolarHBondContact O-N 3.41Å; V212-I215 VanDerWaalsContact O-N 3.12Å; I215-A217 PolarHBondContact O-N 3.28Å; I215-I218 PolarHBondContact O-N 2.92Å; I215-L219 HydrophobicContact CG2-CD1 4.08Å; I215-L219 WeakPolarHBondContact O-CG 3.28Å; I215-L219 PolarHBondContact O-N 3.1Å; I215-L219 VanDerWaalsContact O-N 3.08Å
216F98.5Very high98.1Very high27 Ų2745.7 Ų45.712%0.11824%0.241CC..Hα-helixtrans-56-49.4173.3163.9-100.4000111.4A197 V200 Y201 V212 Y213 T214 I218 L219 E220A197-F216 HydrophobicContact CB-CD2 4.1Å; A197-F216 HydrophobicContact CB-CE2 4.27Å; A197-F216 WeakPolarHBondContact O-CD2 3.32Å; V200-F216 HydrophobicContact CG1-CB 3.88Å; Y201-F216 HydrophobicContact CD2-CD2 4.36Å; Y201-F216 HydrophobicContact CD2-CE2 4.07Å; Y201-F216 HydrophobicContact CD2-CZ 4.21Å; Y201-F216 HydrophobicContact CG-CE2 4.37Å; V212-F216 PolarHBondContact O-N 2.88Å; Y213-F216 AromaticContact CD2-CD1 3.96Å; Y213-F216 HydrophobicContact CD2-CD1 3.96Å; Y213-F216 AromaticContact CE2-CD1 3.93Å; Y213-F216 HydrophobicContact CE2-CD1 3.93Å; Y213-F216 HydrophobicContact CE2-CE1 4.18Å; Y213-F216 WeakPolarHBondContact O-CB 3.49Å; Y213-F216 PolarHBondContact O-N 2.91Å; T214-F216 VanDerWaalsContact C-N 3.34Å; F216-I218 PolarHBondContact O-N 2.63Å; F216-L219 PolarHBondContact O-N 3.47Å; F216-E220 WeakPolarHBondContact O-CB 3.42Å; F216-E220 PolarHBondContact O-N 3.03Å
217A98.3Very high98.1Very high0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-59.5-42.8178.600000112.2L60 Y213 T214 I215 L219 E220 Y221L60-A217 HydrophobicContact CB-CB 3.93Å; Y213-A217 PolarHBondContact O-N 2.69Å; T214-A217 PolarHBondContact O-N 2.96Å; I215-A217 PolarHBondContact O-N 3.28Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 3.24Å; A217-E220 PolarHBondContact O-N 3.42Å; A217-Y221 HydrophobicContact CB-CE1 4.24Å; A217-Y221 WeakPolarHBondContact O-CB 3.19Å; A217-Y221 WeakPolarHBondContact O-CD1 3.44Å; A217-Y221 PolarHBondContact O-N 3.06Å
218I98.6Very high98.1Very high83 Ų8333.7 Ų33.743%0.42619%0.19SC..Hα-helixtrans-60.4-42.2176.5-67.6166.4000111.6L60 T214 I215 F216 Y221 T222L60-I218 HydrophobicContact CD1-CD1 3.92Å; L60-I218 HydrophobicContact CD1-CG1 3.45Å; L60-I218 VanDerWaalsContact CD1-CG1 3.45Å; T214-I218 HydrophobicContact CG2-CD1 4.44Å; T214-I218 WeakPolarHBondContact O-CG1 3.33Å; T214-I218 PolarHBondContact O-N 3.04Å; I215-I218 PolarHBondContact O-N 2.92Å; F216-I218 PolarHBondContact O-N 2.63Å; I218-Y221 PolarHBondContact O-N 2.99Å; I218-T222 PolarHBondContact O-N 3.48Å; I218-T222 PolarHBondContact O-OG1 3.44Å
219L98.7Very high98.2Very high33 Ų3333.3 Ų33.317%0.17319%0.19CC..Hα-helixtrans-68.7-41.5178.4-68.9166.6000111.3A197 V200 I215 F216 A217 T222 V223A197-L219 HydrophobicContact CB-CB 3.74Å; A197-L219 HydrophobicContact CB-CD1 4.47Å; V200-L219 HydrophobicContact CB-CD1 4.41Å; V200-L219 HydrophobicContact CG2-CD1 3.92Å; I215-L219 HydrophobicContact CG2-CD1 4.08Å; I215-L219 WeakPolarHBondContact O-CG 3.28Å; I215-L219 PolarHBondContact O-N 3.1Å; I215-L219 VanDerWaalsContact O-N 3.08Å; F216-L219 PolarHBondContact O-N 3.47Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 3.24Å; L219-T222 WeakPolarHBondContact O-CB 3.38Å; L219-T222 PolarHBondContact O-N 2.94Å; L219-T222 VanDerWaalsContact O-N 3.16Å; L219-V223 WeakPolarHBondContact O-CG2 3.35Å; L219-V223 PolarHBondContact O-N 2.86Å
220E98.5Very high98.2Very high16 Ų1630.1 Ų30.18%0.07518%0.175CC..Hα-helixtrans-59.1-46.3172.9-175.4-169.6-153.900111.3S62 V63 F216 A217 T222 V223 V224S62-E220 WeakPolarHBondContact CA-OE2 3.14Å; S62-E220 WeakPolarHBondContact CB-OE2 3.11Å; V63-E220 HydrophobicContact CG2-CG 4.21Å; V63-E220 PolarHBondContact N-OE2 3.12Å; F216-E220 WeakPolarHBondContact O-CB 3.42Å; F216-E220 PolarHBondContact O-N 3.03Å; A217-E220 PolarHBondContact O-N 3.42Å; E220-T222 PolarHBondContact O-N 3.11Å; E220-V223 WeakPolarHBondContact O-CB 3.24Å; E220-V223 PolarHBondContact O-N 3.4Å; E220-V223 VanDerWaalsContact O-N 3.08Å; E220-V224 WeakPolarHBondContact O-CG2 3.43Å; E220-V224 PolarHBondContact O-N 3.08Å
221Y98.7Very high98.1Very high26 Ų2627.3 Ų27.310%0.10215%0.151CC..Hα-helixtrans-57.8-40.8175.5-64.9-0.8000111F34 I38 L60 P61 V63 A217 I218 V224 L225F34-Y221 AromaticContact CE2-CD1 3.86Å; F34-Y221 HydrophobicContact CE2-CD1 3.86Å; F34-Y221 HydrophobicContact CE2-CE1 4.42Å; F34-Y221 HydrophobicContact CE2-CG 4.16Å; F34-Y221 AromaticContact CZ-CD1 3.78Å; F34-Y221 HydrophobicContact CZ-CD1 3.78Å; F34-Y221 HydrophobicContact CZ-CD2 4.09Å; F34-Y221 HydrophobicContact CZ-CE1 4.43Å; F34-Y221 AromaticContact CZ-CG 3.61Å; F34-Y221 HydrophobicContact CZ-CG 3.61Å; I38-Y221 HydrophobicContact CD1-CE1 3.72Å; I38-Y221 WeakPolarHBondContact CD1-OH 3.39Å; I38-Y221 HydrophobicContact CG1-CE1 4.25Å; I38-Y221 HydrophobicContact CG1-CE2 4.45Å; I38-Y221 HydrophobicContact CG2-CE2 4.15Å; L60-Y221 HydrophobicContact CD1-CE2 4.32Å; L60-Y221 HydrophobicContact CD2-CE2 4.44Å; P61-Y221 WeakPolarHBondContact CD-OH 3.39Å; P61-Y221 VanDerWaalsContact O-CE1 3.26Å; P61-Y221 WeakPolarHBondContact O-CE1 3.35Å; P61-Y221 VanDerWaalsContact O-CZ 3.25Å; P61-Y221 PolarHBondContact O-OH 3.03Å; V63-Y221 HydrophobicContact CG2-CD1 3.79Å; V63-Y221 HydrophobicContact CG2-CE1 3.94Å; A217-Y221 HydrophobicContact CB-CE1 4.24Å; A217-Y221 WeakPolarHBondContact O-CB 3.19Å; A217-Y221 WeakPolarHBondContact O-CD1 3.44Å; A217-Y221 PolarHBondContact O-N 3.06Å; I218-Y221 PolarHBondContact O-N 2.99Å; Y221-V224 PolarHBondContact O-N 3.02Å; Y221-L225 VanDerWaalsContact O-CB 3.32Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 WeakPolarHBondContact O-CG 3.45Å; Y221-L225 PolarHBondContact O-N 3.15Å
222T98.7Very high98.1Very high42 Ų4229 Ų2926%0.25816%0.156SC..Hα-helixtrans-63.6-42.6176.9-55.50000111.2I189 S193 I218 L219 E220 T226I189-T222 HydrophobicContact CG2-CG2 3.86Å; S193-T222 VanDerWaalsContact OG-CG2 3.28Å; S193-T222 WeakPolarHBondContact OG-CG2 3.31Å; I218-T222 PolarHBondContact O-N 3.48Å; I218-T222 PolarHBondContact O-OG1 3.44Å; L219-T222 WeakPolarHBondContact O-CB 3.38Å; L219-T222 PolarHBondContact O-N 2.94Å; L219-T222 VanDerWaalsContact O-N 3.16Å; E220-T222 PolarHBondContact O-N 3.11Å; T222-T226 HydrophobicContact CG2-CG2 4.23Å; T222-T226 VanDerWaalsContact O-CB 3.29Å; T222-T226 WeakPolarHBondContact O-CB 3.27Å; T222-T226 VanDerWaalsContact O-CG2 3.24Å; T222-T226 WeakPolarHBondContact O-CG2 3.49Å; T222-T226 PolarHBondContact O-N 2.95Å; T222-T226 PolarHBondContact O-OG1 3.48Å
223V98.8Very high97.9Very high9 Ų928.6 Ų28.66%0.05515%0.153CC..Hα-helixtrans-59.4-48.4174.1172.90000110.7I150 N190 F194 L219 E220 T226 N227I150-V223 HydrophobicContact CD1-CG1 3.9Å; N190-V223 PolarHBondContact ND2-O 3.13Å; F194-V223 HydrophobicContact CB-CG2 3.89Å; L219-V223 WeakPolarHBondContact O-CG2 3.35Å; L219-V223 PolarHBondContact O-N 2.86Å; E220-V223 WeakPolarHBondContact O-CB 3.24Å; E220-V223 PolarHBondContact O-N 3.4Å; E220-V223 VanDerWaalsContact O-N 3.08Å; V223-T226 PolarHBondContact O-N 2.86Å; V223-T226 PolarHBondContact O-OG1 3.12Å; V223-T226 VanDerWaalsContact O-OG1 3.12Å; V223-N227 WeakPolarHBondContact O-CB 3.44Å; V223-N227 PolarHBondContact O-N 3.14Å
224V98.3Very high97.6Very high30 Ų3027.5 Ų27.518%0.18215%0.148CC..Hα-helixtrans-63.1-50.2-178.8171.60000111.3F34 V63 E220 Y221 T226 N227 M228F34-V224 HydrophobicContact CD2-CG1 3.98Å; F34-V224 HydrophobicContact CE2-CG1 4.22Å; V63-V224 HydrophobicContact CG2-CG2 4.28Å; E220-V224 WeakPolarHBondContact O-CG2 3.43Å; E220-V224 PolarHBondContact O-N 3.08Å; Y221-V224 PolarHBondContact O-N 3.02Å; V224-T226 PolarHBondContact O-N 2.91Å; V224-N227 PolarHBondContact O-N 3.13Å; V224-M228 HydrophobicContact CG1-CE 3.29Å; V224-M228 HydrophobicContact CG1-SD 4.42Å; V224-M228 WeakPolarHBondContact O-CG 3.43Å; V224-M228 PolarHBondContact O-N 3.41Å
225L98.4Very high97.3Very high68 Ų6831.8 Ų31.836%0.35616%0.163SC..Hα-helixtrans-65.5-37.4-179-69.2171.8000112.4L31 F34 Y221 M228 A229L31-L225 HydrophobicContact CD1-CD2 3.58Å; F34-L225 HydrophobicContact CD1-CD2 4.04Å; F34-L225 HydrophobicContact CE1-CD1 4.26Å; F34-L225 HydrophobicContact CE1-CD2 3.99Å; F34-L225 HydrophobicContact CE1-CG 4.18Å; F34-L225 HydrophobicContact CZ-CG 4.48Å; Y221-L225 VanDerWaalsContact O-CB 3.32Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 WeakPolarHBondContact O-CG 3.45Å; Y221-L225 PolarHBondContact O-N 3.15Å; L225-M228 HydrophobicContact CD2-SD 4.44Å; L225-M228 PolarHBondContact O-N 3.41Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.39Å; L225-A229 PolarHBondContact O-N 3.48Å
226T98.5Very high96.9Very high12 Ų1230.4 Ų30.47%0.07415%0.152CC..Hα-helixtrans-73.2-31.8177.253.20000112.7L186 I189 N190 T222 V223 V224 F230L186-T226 HydrophobicContact CD2-CG2 4.11Å; I189-T226 HydrophobicContact CB-CG2 4.27Å; I189-T226 HydrophobicContact CG2-CG2 3.78Å; N190-T226 WeakPolarHBondContact CB-OG1 3.19Å; N190-T226 PolarHBondContact ND2-OG1 3.31Å; T222-T226 HydrophobicContact CG2-CG2 4.23Å; T222-T226 VanDerWaalsContact O-CB 3.29Å; T222-T226 WeakPolarHBondContact O-CB 3.27Å; T222-T226 VanDerWaalsContact O-CG2 3.24Å; T222-T226 WeakPolarHBondContact O-CG2 3.49Å; T222-T226 PolarHBondContact O-N 2.95Å; T222-T226 PolarHBondContact O-OG1 3.48Å; V223-T226 PolarHBondContact O-N 2.86Å; V223-T226 PolarHBondContact O-OG1 3.12Å; V223-T226 VanDerWaalsContact O-OG1 3.12Å; V224-T226 PolarHBondContact O-N 2.91Å; T226-F230 VanDerWaalsContact O-CB 3.31Å; T226-F230 WeakPolarHBondContact O-CB 3.27Å; T226-F230 PolarHBondContact O-N 3.46Å
227N98.3Very high96.4Very high13 Ų1330 Ų307%0.0715%0.151CC..Hα-helixtrans-63.1-49.1169.7172.8-73.4000110.4E123 S153 V223 V224 A229 F230 H231E123-N227 PolarHBondContact OE1-ND2 2.93Å; S153-N227 PolarHBondContact OG-ND2 3.25Å; V223-N227 WeakPolarHBondContact O-CB 3.44Å; V223-N227 PolarHBondContact O-N 3.14Å; V224-N227 PolarHBondContact O-N 3.13Å; N227-A229 PolarHBondContact O-N 2.88Å; N227-F230 WeakPolarHBondContact O-CB 3.44Å; N227-F230 PolarHBondContact O-N 3.01Å; N227-F230 VanDerWaalsContact O-N 3.12Å; N227-H231 PolarHBondContact O-CD2 2.99Å; N227-H231 PolarHBondContact O-N 3.31Å; N227-H231 VanDerWaalsContact O-N 3.07Å; N227-H231 PolarHBondContact OD1-CD2 2.77Å
228M98Very high95.9Very high16 Ų1630.7 Ų30.78%0.07915%0.154CC..Hα-helixtrans-56.8-48.2175.5-69.6176.6-165.300111.9V27 P30 L31 F34 V224 L225 F230 H231 M232V27-M228 HydrophobicContact CG1-CB 4.24Å; V27-M228 WeakPolarHBondContact CG2-O 3.45Å; P30-M228 HydrophobicContact CB-CE 4Å; L31-M228 HydrophobicContact CB-SD 4.11Å; L31-M228 HydrophobicContact CD1-SD 4.28Å; F34-M228 HydrophobicContact CB-CE 4.08Å; F34-M228 HydrophobicContact CG-CE 4.49Å; V224-M228 HydrophobicContact CG1-CE 3.29Å; V224-M228 HydrophobicContact CG1-SD 4.42Å; V224-M228 WeakPolarHBondContact O-CG 3.43Å; V224-M228 PolarHBondContact O-N 3.41Å; L225-M228 HydrophobicContact CD2-SD 4.44Å; L225-M228 PolarHBondContact O-N 3.41Å; M228-F230 VanDerWaalsContact C-N 3.28Å; M228-F230 PolarHBondContact O-N 3.38Å; M228-H231 PolarHBondContact O-N 3.07Å; M228-M232 PolarHBondContact O-N 3.24Å
229A97.5Very high95Very high36 Ų3628 Ų2830%0.29815%0.148SC..Hα-helixtrans-63.4-34.2177.900000112.3L186 L225 N227 M232 T233L186-A229 HydrophobicContact CD1-CB 3.97Å; L186-A229 HydrophobicContact CD2-CB 3.74Å; L225-A229 VanDerWaalsContact O-CB 3.3Å; L225-A229 WeakPolarHBondContact O-CB 3.39Å; L225-A229 PolarHBondContact O-N 3.48Å; N227-A229 PolarHBondContact O-N 2.88Å; A229-M232 WeakPolarHBondContact O-CB 3.26Å; A229-M232 PolarHBondContact O-N 3.49Å; A229-T233 PolarHBondContact O-N 3.19Å
230F97.9Very high94Very high3 Ų333.5 Ų33.51%0.01318%0.177CC..Hα-helixtrans-64.1-44.1175.9-173-83.6000110.5M157 T160 K183 L186 F187 T226 N227 M228 M232 T233M157-F230 HydrophobicContact CB-CD2 4.39Å; M157-F230 HydrophobicContact CB-CE1 4.28Å; M157-F230 HydrophobicContact CB-CE2 3.94Å; M157-F230 HydrophobicContact CB-CZ 3.9Å; M157-F230 HydrophobicContact CE-CB 3.62Å; M157-F230 HydrophobicContact CE-CD1 4.42Å; M157-F230 HydrophobicContact CE-CD2 3.39Å; M157-F230 HydrophobicContact CE-CE2 4.13Å; M157-F230 HydrophobicContact CE-CG 3.57Å; M157-F230 HydrophobicContact CG-CD1 3.88Å; M157-F230 HydrophobicContact CG-CD2 4.02Å; M157-F230 HydrophobicContact CG-CE1 3.91Å; M157-F230 HydrophobicContact CG-CE2 4.02Å; M157-F230 HydrophobicContact CG-CG 3.95Å; M157-F230 HydrophobicContact CG-CZ 3.98Å; T160-F230 HydrophobicContact CG2-CE1 4.1Å; T160-F230 HydrophobicContact CG2-CZ 3.77Å; K183-F230 HydrophobicContact CB-CD2 4.25Å; K183-F230 HydrophobicContact CB-CE2 3.62Å; K183-F230 HydrophobicContact CB-CZ 4.15Å; K183-F230 HydrophobicContact CD-CZ 4.42Å; K183-F230 HydrophobicContact CG-CD2 4.4Å; K183-F230 HydrophobicContact CG-CE2 3.93Å; K183-F230 HydrophobicContact CG-CZ 4.12Å; K183-F230 WeakPolarHBondContact O-CE2 3.43Å; L186-F230 HydrophobicContact CB-CB 4.36Å; L186-F230 HydrophobicContact CB-CD2 4.1Å; L186-F230 HydrophobicContact CD1-CB 4.39Å; F187-F230 HydrophobicContact CB-CE2 4.44Å; T226-F230 VanDerWaalsContact O-CB 3.31Å; T226-F230 WeakPolarHBondContact O-CB 3.27Å; T226-F230 PolarHBondContact O-N 3.46Å; N227-F230 WeakPolarHBondContact O-CB 3.44Å; N227-F230 PolarHBondContact O-N 3.01Å; N227-F230 VanDerWaalsContact O-N 3.12Å; M228-F230 VanDerWaalsContact C-N 3.28Å; M228-F230 PolarHBondContact O-N 3.38Å; F230-M232 VanDerWaalsContact C-N 3.29Å; F230-M232 PolarHBondContact O-N 3.13Å; F230-T233 WeakPolarHBondContact O-CB 3.15Å; F230-T233 WeakPolarHBondContact O-CG2 3.49Å; F230-T233 PolarHBondContact O-N 3Å; F230-T233 PolarHBondContact O-OG1 3.42Å
231H96.6Very high93.2Very high7 Ų738.9 Ų38.93%0.03220%0.2CC..Hα-helixtrans-67.7-30174.9-67.9-58.4000112.8V27 R88 E123 H156 N227 M228 T233 A234V27-H231 HydrophobicContact CG2-CB 4.49Å; R88-H231 VanDerWaalsContact CZ-CD2 3.49Å; R88-H231 PolarHBondContact NH1-CD2 3.44Å; R88-H231 VanDerWaalsContact NH1-CD2 3.26Å; R88-H231 PolarHBondContact NH1-CE1 2.68Å; R88-H231 PolarHBondContact NH1-ND1 3.34Å; R88-H231 PolarHBondContact NH1-NE2 3.48Å; R88-H231 PolarHBondContact NH2-CD2 3.32Å; R88-H231 PolarHBondContact NH2-CE1 3.33Å; R88-H231 PolarHBondContact NH2-NE2 3.03Å; E123-H231 IonicContact OE1-CD2 2.74Å; E123-H231 IonicContact OE1-CE1 2.69Å; E123-H231 IonicContact OE1-NE2 3.21Å; E123-H231 PolarHBondContact OE1-NE2 3.35Å; E123-H231 IonicContact OE2-CE1 3.88Å; E123-H231 IonicContact OE2-NE2 3.31Å; H156-H231 AromaticContact CD2-CE1 3.81Å; H156-H231 AromaticContact NE2-CE1 3.77Å; N227-H231 PolarHBondContact O-CD2 2.99Å; N227-H231 PolarHBondContact O-N 3.31Å; N227-H231 VanDerWaalsContact O-N 3.07Å; N227-H231 PolarHBondContact OD1-CD2 2.77Å; M228-H231 PolarHBondContact O-N 3.07Å; H231-T233 PolarHBondContact O-N 3.33Å; H231-A234 VanDerWaalsContact O-CB 3.22Å; H231-A234 WeakPolarHBondContact O-CB 3.46Å; H231-A234 PolarHBondContact O-N 2.88Å; H231-A234 VanDerWaalsContact O-N 3.14Å
232M95.2Very high92.4Very high50 Ų5041.6 Ų41.625%0.24621%0.214CC..Hα-helixtrans-62.4-22.4173.6-16555.5-163.600113.4L24 V27 M228 A229 F230 A234 W235L24-M232 HydrophobicContact CD1-CE 4.5Å; V27-M232 HydrophobicContact CB-SD 4.04Å; V27-M232 HydrophobicContact CG1-CB 4.32Å; V27-M232 HydrophobicContact CG1-SD 4.4Å; V27-M232 HydrophobicContact CG2-CB 3.9Å; V27-M232 HydrophobicContact CG2-CG 4.49Å; V27-M232 HydrophobicContact CG2-SD 4Å; M228-M232 PolarHBondContact O-N 3.24Å; A229-M232 WeakPolarHBondContact O-CB 3.26Å; A229-M232 PolarHBondContact O-N 3.49Å; F230-M232 VanDerWaalsContact C-N 3.29Å; F230-M232 PolarHBondContact O-N 3.13Å; M232-A234 PolarHBondContact O-N 3.31Å; M232-W235 HydrophobicContact CE-CB 3.93Å; M232-W235 HydrophobicContact CE-CD2 3.93Å; M232-W235 HydrophobicContact CE-CE3 3.49Å; M232-W235 VanDerWaalsContact CE-CE3 3.49Å; M232-W235 HydrophobicContact CE-CG 4.14Å; M232-W235 HydrophobicContact CE-CZ3 4.28Å; M232-W235 WeakPolarHBondContact O-CB 3.2Å; M232-W235 PolarHBondContact O-N 3.46Å
233T94.3Very high91.4Very high2 Ų241.7 Ų41.71%0.01221%0.213CC..THydrogen-bonded Turntrans-61.4-17.1176.164.30000112.9S179 W182 K183 L186 A229 F230 H231 W235 W236 D237S179-T233 PolarHBondContact OG-O 3.48Å; W182-T233 HydrophobicContact CB-CG2 4.26Å; K183-T233 HydrophobicContact CG-CG2 4Å; K183-T233 PolarHBondContact NZ-OG1 3.01Å; L186-T233 HydrophobicContact CD1-CG2 4.04Å; A229-T233 PolarHBondContact O-N 3.19Å; F230-T233 WeakPolarHBondContact O-CB 3.15Å; F230-T233 WeakPolarHBondContact O-CG2 3.49Å; F230-T233 PolarHBondContact O-N 3Å; F230-T233 PolarHBondContact O-OG1 3.42Å; H231-T233 PolarHBondContact O-N 3.33Å; T233-W235 PolarHBondContact O-N 3.3Å; T233-W235 VanDerWaalsContact O-N 3.12Å; T233-W236 HydrophobicContact CG2-CE3 4.32Å; T233-W236 HydrophobicContact CG2-CZ3 4.09Å; T233-W236 PolarHBondContact O-N 2.94Å; T233-D237 PolarHBondContact O-N 3.07Å
234A92.3Very high90.6Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-56.2-23.716900000113.3F19 A23 V91 Y95 H231 M232 W236 D237 F238F19-A234 HydrophobicContact CE1-CB 4.22Å; A23-A234 HydrophobicContact CB-CB 4.47Å; V91-A234 HydrophobicContact CG1-CB 4.44Å; Y95-A234 HydrophobicContact CE2-CB 4.14Å; Y95-A234 VanDerWaalsContact OH-CA 3.3Å; Y95-A234 WeakPolarHBondContact OH-CA 3.33Å; Y95-A234 WeakPolarHBondContact OH-CB 3.21Å; H231-A234 VanDerWaalsContact O-CB 3.22Å; H231-A234 WeakPolarHBondContact O-CB 3.46Å; H231-A234 PolarHBondContact O-N 2.88Å; H231-A234 VanDerWaalsContact O-N 3.14Å; M232-A234 PolarHBondContact O-N 3.31Å; A234-W236 VanDerWaalsContact C-N 3.31Å; A234-W236 PolarHBondContact O-N 3.27Å; A234-D237 PolarHBondContact O-N 3.32Å; A234-F238 HydrophobicContact CB-CD2 4.15Å; A234-F238 HydrophobicContact CB-CE2 4.49Å; A234-F238 PolarHBondContact O-N 2.99Å
235W91.2Very high89.6Confident105 Ų10547.8 Ų47.840%0.39824%0.243SC..Hα-helixtrans-55.3-44.6171.1179.4-80.4000112.5T20 M232 T233 G239T20-W235 HydrophobicContact CG2-CD2 3.99Å; T20-W235 HydrophobicContact CG2-CE3 3.95Å; T20-W235 HydrophobicContact CG2-CH2 4.26Å; T20-W235 HydrophobicContact CG2-CZ2 4.26Å; T20-W235 HydrophobicContact CG2-CZ3 4.11Å; M232-W235 HydrophobicContact CE-CB 3.93Å; M232-W235 HydrophobicContact CE-CD2 3.93Å; M232-W235 HydrophobicContact CE-CE3 3.49Å; M232-W235 VanDerWaalsContact CE-CE3 3.49Å; M232-W235 HydrophobicContact CE-CG 4.14Å; M232-W235 HydrophobicContact CE-CZ3 4.28Å; M232-W235 WeakPolarHBondContact O-CB 3.2Å; M232-W235 PolarHBondContact O-N 3.46Å; T233-W235 PolarHBondContact O-N 3.3Å; T233-W235 VanDerWaalsContact O-N 3.12Å; W235-G239 WeakPolarHBondContact O-CA 3.04Å; W235-G239 PolarHBondContact O-N 3.17Å; W235-G239 VanDerWaalsContact O-N 3.1Å
236W89.1Confident88.8Confident60 Ų6048.4 Ų48.423%0.22725%0.249CC..Hα-helixtrans-76.9-37.3177.2-67.2-54.7000111.4K178 W182 T233 A234 F238K178-W236 HydrophobicContact CD-CZ2 4.06Å; K178-W236 HydrophobicContact CG-CZ2 4.4Å; W182-W236 HydrophobicContact CB-CZ3 4.05Å; W182-W236 AromaticContact CD1-CH2 3.8Å; W182-W236 AromaticContact CD1-CZ3 3.85Å; W182-W236 HydrophobicContact CG-CH2 4.21Å; W182-W236 HydrophobicContact CG-CZ3 4.02Å; T233-W236 HydrophobicContact CG2-CE3 4.32Å; T233-W236 HydrophobicContact CG2-CZ3 4.09Å; T233-W236 PolarHBondContact O-N 2.94Å; A234-W236 VanDerWaalsContact C-N 3.31Å; A234-W236 PolarHBondContact O-N 3.27Å; W236-F238 VanDerWaalsContact C-N 3.29Å; W236-F238 PolarHBondContact O-N 3.46Å
237D88.8Confident87.8Confident20 Ų2050.4 Ų50.411%0.10726%0.264CS..Hα-helixtrans-67.8-31.5-174.7-59.1-11.4000113Y95 W164 S179 K183 T233 A234Y95-D237 HydrophobicContact CE1-CB 4.32Å; Y95-D237 VanDerWaalsContact CE1-OD2 3.31Å; Y95-D237 WeakPolarHBondContact CE1-OD2 3.41Å; Y95-D237 VanDerWaalsContact CZ-OD2 3.3Å; Y95-D237 PolarHBondContact OH-OD2 3.39Å; W164-D237 HydrophobicContact CH2-CB 4.25Å; W164-D237 VanDerWaalsContact CH2-CG 3.49Å; W164-D237 WeakPolarHBondContact CH2-OD1 3.49Å; W164-D237 HydrophobicContact CZ2-CB 4.07Å; W164-D237 VanDerWaalsContact CZ2-OD1 3.23Å; W164-D237 WeakPolarHBondContact CZ2-OD1 3.48Å; W164-D237 VanDerWaalsContact CZ2-OD2 3.24Å; W164-D237 WeakPolarHBondContact CZ2-OD2 3.22Å; S179-D237 WeakPolarHBondContact CB-OD1 3.28Å; S179-D237 PolarHBondContact OG-OD1 2.92Å; K183-D237 VanDerWaalsContact CE-OD2 3.27Å; K183-D237 WeakPolarHBondContact CE-OD2 3.26Å; K183-D237 IonicContact NZ-OD1 3.64Å; K183-D237 IonicContact NZ-OD2 3.77Å; K183-D237 PolarHBondContact NZ-OD2 2.04Å; T233-D237 PolarHBondContact O-N 3.07Å; A234-D237 PolarHBondContact O-N 3.32Å
238F87.7Confident86.6Confident13 Ų1358.3 Ų58.36%0.05730%0.3CS..THydrogen-bonded Turntrans-125.918.1-174.2-58.7-73.8000113F19 A94 Y95 H98 A234 W236 N240 K241F19-F238 HydrophobicContact CB-CB 3.93Å; F19-F238 HydrophobicContact CD1-CB 3.22Å; F19-F238 AromaticContact CD1-CD2 3.74Å; F19-F238 HydrophobicContact CD1-CD2 3.74Å; F19-F238 AromaticContact CD1-CG 3.7Å; F19-F238 HydrophobicContact CD1-CG 3.7Å; F19-F238 HydrophobicContact CD2-CB 4.35Å; F19-F238 HydrophobicContact CD2-CG 4.49Å; F19-F238 HydrophobicContact CE1-CB 3.72Å; F19-F238 AromaticContact CE1-CD2 3.22Å; F19-F238 HydrophobicContact CE1-CD2 3.22Å; F19-F238 AromaticContact CE1-CE2 3.93Å; F19-F238 HydrophobicContact CE1-CE2 3.93Å; F19-F238 AromaticContact CE1-CG 3.63Å; F19-F238 HydrophobicContact CE1-CG 3.63Å; F19-F238 HydrophobicContact CE2-CD2 4.48Å; F19-F238 HydrophobicContact CE2-CG 4.45Å; F19-F238 HydrophobicContact CG-CB 3.56Å; F19-F238 HydrophobicContact CG-CG 4.11Å; F19-F238 HydrophobicContact CZ-CB 4.43Å; F19-F238 AromaticContact CZ-CD2 3.63Å; F19-F238 HydrophobicContact CZ-CD2 3.63Å; F19-F238 AromaticContact CZ-CE2 3.93Å; F19-F238 HydrophobicContact CZ-CE2 3.93Å; F19-F238 HydrophobicContact CZ-CG 4Å; A94-F238 HydrophobicContact CB-CE1 4.4Å; A94-F238 HydrophobicContact CB-CZ 4.18Å; Y95-F238 AromaticContact CD1-CE2 3.89Å; Y95-F238 HydrophobicContact CD1-CE2 3.89Å; Y95-F238 AromaticContact CD1-CZ 3.78Å; Y95-F238 HydrophobicContact CD1-CZ 3.78Å; Y95-F238 HydrophobicContact CD2-CE2 4.01Å; Y95-F238 HydrophobicContact CD2-CZ 4.37Å; Y95-F238 AromaticContact CE1-CE2 3.61Å; Y95-F238 HydrophobicContact CE1-CE2 3.61Å; Y95-F238 AromaticContact CE1-CZ 3.92Å; Y95-F238 HydrophobicContact CE1-CZ 3.92Å; Y95-F238 AromaticContact CE2-CE2 3.77Å; Y95-F238 HydrophobicContact CE2-CE2 3.77Å; Y95-F238 HydrophobicContact CG-CE2 4.07Å; Y95-F238 HydrophobicContact CG-CZ 4.01Å; Y95-F238 AromaticContact CZ-CE2 3.56Å; H98-F238 HydrophobicContact CB-CE1 4.05Å; H98-F238 HydrophobicContact CB-CZ 4.23Å; A234-F238 HydrophobicContact CB-CD2 4.15Å; A234-F238 HydrophobicContact CB-CE2 4.49Å; A234-F238 PolarHBondContact O-N 2.99Å; W236-F238 VanDerWaalsContact C-N 3.29Å; W236-F238 PolarHBondContact O-N 3.46Å; F238-N240 PolarHBondContact O-N 2.81Å; F238-K241 HydrophobicContact CB-CB 4.2Å; F238-K241 HydrophobicContact CB-CG 4.37Å; F238-K241 HydrophobicContact CD1-CG 4.21Å; F238-K241 WeakPolarHBondContact O-CB 3.31Å; F238-K241 PolarHBondContact O-N 3.07Å
239G79.5Confident85Confident28 Ų2863.1 Ų63.129%0.28933%0.333SS..THydrogen-bonded Turntrans-52.7-34-174.200000114.6W235W235-G239 WeakPolarHBondContact O-CA 3.04Å; W235-G239 PolarHBondContact O-N 3.17Å; W235-G239 VanDerWaalsContact O-N 3.1Å
240N77.2Confident83.5Confident147 Ų14770.3 Ų70.379%0.78636%0.36SS*.THydrogen-bonded Turntrans-102.716.9179.8-60.8-42000113.6F238F238-N240 PolarHBondContact O-N 2.81Å
241K82.4Confident81.8Confident129 Ų12978.2 Ų78.256%0.56140%0.397SS*.  trans-108.3144.5-178.6-60.5-64.7-175-179.40111.2F19 F238F19-K241 HydrophobicContact CB-CB 4.45Å; F19-K241 WeakPolarHBondContact CB-O 3.03Å; F19-K241 PolarHBondContact N-O 3.02Å; F238-K241 HydrophobicContact CB-CB 4.2Å; F238-K241 HydrophobicContact CB-CG 4.37Å; F238-K241 HydrophobicContact CD1-CG 4.21Å; F238-K241 WeakPolarHBondContact O-CB 3.31Å; F238-K241 PolarHBondContact O-N 3.07Å
242E83Confident79.8Confident84 Ų8486.5 Ų86.539%0.39343%0.433SS..EExtended strand (participates in β ladder)trans-116.4139.7175.3-61.5-174.5156.800109.1R16 L17R16-E242 WeakPolarHBondContact CD-OE2 3.39Å; R16-E242 HydrophobicContact CG-CB 4.47Å; R16-E242 IonicContact CZ-OE2 2.89Å; R16-E242 IonicContact NE-OE2 3.8Å; R16-E242 PolarHBondContact NE-OE2 3.39Å; R16-E242 IonicContact NH1-OE1 3.98Å; R16-E242 IonicContact NH1-OE2 2.78Å; R16-E242 PolarHBondContact NH1-OE2 2.78Å; L17-E242 CarbonylContact O-C 3.59Å; L17-E242 WeakPolarHBondContact O-CA 3.31Å
243L77.3Confident77.9Confident44 Ų4495.1 Ų95.123%0.2346%0.463CS..EExtended strand (participates in β ladder)trans-84.9121.6165.6179.974000107.7R16 L17 L90R16-L243 WeakPolarHBondContact CA-O 3.12Å; L17-L243 HydrophobicContact CB-CB 4.45Å; L17-L243 PolarHBondContact N-O 3.08Å; L17-L243 PolarHBondContact O-N 3.12Å; L90-L243 HydrophobicContact CD1-CD1 4.01Å; L90-L243 HydrophobicContact CD1-CD2 3.45Å; L90-L243 VanDerWaalsContact CD1-CD2 3.45Å; L90-L243 HydrophobicContact CD1-CG 4.37Å; L90-L243 HydrophobicContact CD2-CD1 4.17Å; L90-L243 HydrophobicContact CD2-CD2 4.27Å; L90-L243 HydrophobicContact CG-CD1 4.45Å; L90-L243 HydrophobicContact CG-CD2 4.49Å
244L81.8Confident76.1Confident84 Ų84107.4 Ų107.444%0.4452%0.516SS..EExtended strand (participates in β ladder)trans-114.3123.9177.4-61.4171.5000108.9T13 R16T13-L244 HydrophobicContact CG2-CD2 4.1Å; R16-L244 HydrophobicContact CB-CD2 3.84Å; R16-L244 HydrophobicContact CG-CD2 3.64Å; R16-L244 VanDerWaalsContact NE-CD2 3.35Å
245I77.2Confident75.3Confident83 Ų83112.8 Ų112.843%0.42654%0.542SS..EExtended strand (participates in β ladder)trans-104.2114.8167.5-54.7-179.2000106.3T13 L14 V15T13-I245 CarbonylContact C-O 3.58Å; L14-I245 HydrophobicContact CB-CG2 4.48Å; L14-I245 PolarHBondContact N-O 2.77Å; V15-I245 HydrophobicContact CB-CB 4.09Å; V15-I245 HydrophobicContact CB-CD1 4.04Å; V15-I245 HydrophobicContact CB-CG1 4.21Å; V15-I245 HydrophobicContact CG1-CD1 4.47Å; V15-I245 HydrophobicContact CG2-CD1 4.4Å; V15-I245 PolarHBondContact N-O 2.75Å; V15-I245 PolarHBondContact O-N 2.98Å
246T81Confident74.4Confident80 Ų80113.2 Ų113.249%0.49155%0.55SS..EExtended strand (participates in β ladder)trans-115.3140.1-178.757.10000110.1G12G12-T246 CarbonylContact O-C 2.94Å; G12-T246 VanDerWaalsContact O-CA 3.31Å; G12-T246 WeakPolarHBondContact O-CA 3.39Å
247S77.5Confident73.6Confident55 Ų55116.1 Ų116.139%0.38557%0.568SS.*PPolyproline II helixtrans-66.3141165.257.70000109.2G12G12-S247 WeakPolarHBondContact CA-OG 3.43Å; G12-S247 PolarHBondContact O-N 2.79Å; G12-S247 PolarHBondContact O-OG 2.98Å
248Q72.6Confident72.7Confident178 Ų178121.8 Ų121.883%0.83260%0.595SS**PPolyproline II helixtrans-63.6137.1167.4-69.5-157.4-13.300108.8E250Q248-E250 PolarHBondContact O-N 2.68Å
249P65.3Low71.8Confident118 Ų118128.6 Ų128.677%0.76663%0.628SS**PPolyproline II helixtrans-61.5124.4171.918.3-20.8000107.9E251P249-E251 PolarHBondContact O-N 3.13Å
250E65.6Low71.3Confident186 Ų186135.3 Ų135.387%0.86965%0.651SS**  trans-56.4111.6173-72.7-174.2162.400108.1Q248 K252Q248-E250 PolarHBondContact O-N 2.68Å; E250-K252 VanDerWaalsContact C-N 3.35Å; E250-K252 PolarHBondContact O-N 3.3Å
251E62.3Low70.8Confident170 Ų170134.4 Ų134.479%0.79464%0.641SS**  trans-60.1105.8162.5-81.3-174.316700105.8P249 R253P249-E251 PolarHBondContact O-N 3.13Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.91Å
252K55.1Low69.9Low180 Ų180134.8 Ų134.878%0.78365%0.648SS**  trans-5298.2173.8-71.4-176.4178.4-179.40108.4E250 F254E250-K252 VanDerWaalsContact C-N 3.35Å; E250-K252 PolarHBondContact O-N 3.3Å; K252-F254 HydrophobicContact CB-CD2 4.49Å; K252-F254 HydrophobicContact CB-CE2 4.32Å; K252-F254 HydrophobicContact CD-CE2 4.27Å; K252-F254 PolarHBondContact O-N 3.48Å
253R54.7Low68.9Low231 Ų231139.1 Ų139.187%0.87267%0.669SS**  trans-81.8106.3164-70.1-173.9-177.4-172.61.3106.2E251E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.91Å
254F56Low68.1Low260 Ų260147.7 Ų147.7100%1.1471%0.709SS**  trans-93.30153.5-70.4-75.4000107.9K252K252-F254 HydrophobicContact CB-CD2 4.49Å; K252-F254 HydrophobicContact CB-CE2 4.32Å; K252-F254 HydrophobicContact CD-CE2 4.27Å; K252-F254 PolarHBondContact O-N 3.48Å

Retrieved 254 of 254 residues in 1108.1 ms (Link to these results)

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