A0A077ZIV6_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZIV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M34.3Very low55.5Low140 Ų14074 Ų7469%0.6939%0.393SS*.  0112.40-139.4179.4-7300107.7F3 L87 A91M1-F3 HydrophobicContact CB-CD2 4.34Å; M1-F3 HydrophobicContact CB-CE2 3.85Å; M1-F3 HydrophobicContact CB-CZ 4.2Å; M1-F3 HydrophobicContact CG-CE2 4.26Å; M1-F3 HydrophobicContact CG-CZ 4.11Å; M1-F3 PolarHBondContact O-N 3.29Å; M1-F3 HydrophobicContact SD-CE1 3.93Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.36Å; M1-F3 WeakPolarHBondContact SD-CZ 3.46Å; M1-L87 HydrophobicContact CG-CD1 4.5Å; M1-L87 HydrophobicContact CG-CD2 4.31Å; M1-L87 HydrophobicContact SD-CD2 3.77Å; M1-L87 HydrophobicContact SD-CG 4.3Å; M1-A91 HydrophobicContact CE-CB 3.63Å; M1-A91 HydrophobicContact SD-CB 3.46Å; M1-A91 WeakPolarHBondContact SD-CB 3.4Å
2H35Very low57.8Low156 Ų15673.8 Ų73.872%0.72239%0.39SS*.  trans-85.494.4179.6-82.5-52.7000110S4H2-S4 PolarHBondContact O-N 3.46Å
3F49Very low60.2Low71 Ų7175.2 Ų75.231%0.31140%0.404SS..G310 helixtrans-76.9-3.6175.9-69.3-73.9000114M1 V5 I6 F7 L87 L88 A91M1-F3 HydrophobicContact CB-CD2 4.34Å; M1-F3 HydrophobicContact CB-CE2 3.85Å; M1-F3 HydrophobicContact CB-CZ 4.2Å; M1-F3 HydrophobicContact CG-CE2 4.26Å; M1-F3 HydrophobicContact CG-CZ 4.11Å; M1-F3 PolarHBondContact O-N 3.29Å; M1-F3 HydrophobicContact SD-CE1 3.93Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.36Å; M1-F3 WeakPolarHBondContact SD-CZ 3.46Å; F3-V5 PolarHBondContact O-N 2.76Å; F3-I6 PolarHBondContact O-N 2.94Å; F3-F7 HydrophobicContact CB-CD2 4.21Å; F3-F7 HydrophobicContact CD1-CD2 4.27Å; F3-F7 AromaticContact CD1-CE2 3.87Å; F3-F7 HydrophobicContact CD1-CE2 3.87Å; F3-F7 HydrophobicContact CE1-CE2 4.46Å; F3-F7 PolarHBondContact O-N 3.16Å; F3-L87 HydrophobicContact CD1-CD2 4.02Å; F3-L87 HydrophobicContact CE1-CD2 3.46Å; F3-L87 VanDerWaalsContact CE1-CD2 3.46Å; F3-L87 HydrophobicContact CZ-CD2 4.29Å; F3-L88 HydrophobicContact CD1-CD2 4.31Å; F3-L88 HydrophobicContact CE1-CD2 3.78Å; F3-A91 HydrophobicContact CZ-CB 4.47Å
4S44.7Very low62.5Low89 Ų8981.6 Ų81.662%0.62242%0.419SS*.G310 helixtrans-61.8-18.8-170.631.50000114.8H2H2-S4 PolarHBondContact O-N 3.46Å
5V52.1Low64.6Low47 Ų4783.5 Ų83.529%0.28544%0.441SS..G310 helixtrans-92.7-14.4179.4-167.60000112F3 L114 L131F3-V5 PolarHBondContact O-N 2.76Å; V5-L114 HydrophobicContact CG1-CD2 4.02Å; V5-L131 HydrophobicContact CG1-CD1 3.46Å; V5-L131 VanDerWaalsContact CG1-CD1 3.46Å
6I59.9Low66.5Low3 Ų381.6 Ų81.62%0.01543%0.434CS..THydrogen-bonded Turntrans-102.2-40-162.8-67.5176.1000112.4F3 T84 L87 L88 Y116 C133F3-I6 PolarHBondContact O-N 2.94Å; I6-T84 HydrophobicContact CB-CG2 4.4Å; I6-T84 HydrophobicContact CG1-CG2 4.41Å; I6-T84 HydrophobicContact CG2-CG2 3.34Å; I6-L87 HydrophobicContact CD1-CD1 3.95Å; I6-L87 HydrophobicContact CD1-CD2 4.02Å; I6-L87 HydrophobicContact CD1-CG 4.43Å; I6-L88 HydrophobicContact CG2-CD1 4.39Å; I6-Y116 HydrophobicContact CD1-CE1 4.42Å; I6-Y116 HydrophobicContact CG1-CE1 4.4Å; I6-C133 PolarHBondContact O-SG 2.96Å; I6-C133 VanDerWaalsContact O-SG 3.35Å
7F63.8Low68.2Low57 Ų5783.6 Ų83.625%0.2544%0.437CS..SBendtrans-115.9152.1-176.6-62-62.1000110.3F3 G9 L88 C133 F137F3-F7 HydrophobicContact CB-CD2 4.21Å; F3-F7 HydrophobicContact CD1-CD2 4.27Å; F3-F7 AromaticContact CD1-CE2 3.87Å; F3-F7 HydrophobicContact CD1-CE2 3.87Å; F3-F7 HydrophobicContact CE1-CE2 4.46Å; F3-F7 PolarHBondContact O-N 3.16Å; F7-G9 PolarHBondContact O-N 3.49Å; F7-L88 HydrophobicContact CE1-CD1 4.21Å; F7-L88 HydrophobicContact CE2-CD1 4.46Å; F7-L88 HydrophobicContact CE2-CD2 3.77Å; F7-L88 HydrophobicContact CZ-CD1 3.61Å; F7-L88 HydrophobicContact CZ-CD2 3.57Å; F7-L88 HydrophobicContact CZ-CG 4.22Å; F7-C133 VanDerWaalsContact C-SG 3.55Å; F7-F137 HydrophobicContact CD1-CE1 4.3Å; F7-F137 HydrophobicContact CD1-CE2 4Å; F7-F137 AromaticContact CD1-CZ 3.46Å; F7-F137 HydrophobicContact CD1-CZ 3.46Å; F7-F137 VanDerWaalsContact CD1-CZ 3.46Å; F7-F137 AromaticContact CE1-CE1 3.71Å; F7-F137 HydrophobicContact CE1-CE1 3.71Å; F7-F137 HydrophobicContact CE1-CE2 4.08Å; F7-F137 AromaticContact CE1-CZ 3.31Å; F7-F137 HydrophobicContact CE1-CZ 3.31Å
8L63.6Low69.8Low16 Ų1679.9 Ų79.98%0.08442%0.423CS..PPolyproline II helixtrans-60.6127.1165.3-61.8-178.2000108.1Y10 M56 L105 C133 V135L8-Y10 PolarHBondContact O-N 3.01Å; L8-M56 HydrophobicContact CB-CB 4.35Å; L8-M56 HydrophobicContact CD1-CB 4.29Å; L8-M56 HydrophobicContact CD1-CE 4Å; L8-M56 HydrophobicContact CD1-SD 4.19Å; L8-L105 HydrophobicContact CD1-CD1 3.94Å; L8-L105 HydrophobicContact CD2-CD1 4.49Å; L8-C133 HydrophobicContact CD2-CB 4.18Å; L8-C133 PolarHBondContact N-SG 2.95Å; L8-V135 HydrophobicContact CD1-CG1 3.95Å; L8-V135 HydrophobicContact CG-CG1 4.18Å
9G68.4Low71.1Confident25 Ų2583.8 Ų83.826%0.25844%0.436SS..PPolyproline II helixtrans-58.6126.2167.500000109.3F7 M56 E57F7-G9 PolarHBondContact O-N 3.49Å; G9-M56 CarbonylContact O-C 3.54Å; G9-M56 WeakPolarHBondContact O-CA 3.32Å; G9-E57 PolarHBondContact O-N 2.95Å
10Y66.5Low72.3Confident126 Ų12683.7 Ų83.749%0.49443%0.43SS..EExtended strand (participates in β ladder)trans-85.9122.5165-71.2-90.9000108L8 V13 L54 M56L8-Y10 PolarHBondContact O-N 3.01Å; Y10-V13 HydrophobicContact CD1-CG2 4.38Å; Y10-L54 HydrophobicContact CE1-CB 4.42Å; Y10-M56 HydrophobicContact CD1-CG 3.67Å; Y10-M56 HydrophobicContact CD1-SD 4.29Å; Y10-M56 HydrophobicContact CE1-CG 3.54Å; Y10-M56 HydrophobicContact CE1-SD 3.53Å; Y10-M56 VanDerWaalsContact CE1-SD 3.53Å; Y10-M56 HydrophobicContact CG-CG 4.49Å
11S73.6Confident73.3Confident84 Ų8482.8 Ų82.859%0.58743%0.43SS*.EExtended strand (participates in β ladder)trans-91.8-32.917458.80000111.5C55S11-C55 PolarHBondContact N-O 3.14Å; S11-C55 WeakPolarHBondContact OG-CB 3.33Å; S11-C55 PolarHBondContact OG-O 2.9Å; S11-C55 PolarHBondContact OG-SG 2.74Å
12I82.1Confident76.2Confident71 Ų7179.5 Ų79.536%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-148.5130.8-175-55.1178.9000110.6R14 C55I12-R14 HydrophobicContact CG2-CB 4.25Å; I12-R14 HydrophobicContact CG2-CG 3.55Å; I12-C55 HydrophobicContact CB-CB 3.78Å; I12-C55 HydrophobicContact CG1-CB 4.28Å; I12-C55 PolarHBondContact N-O 3.46Å; I12-C55 PolarHBondContact O-N 2.58Å
13V89.3Confident79.1Confident93 Ų9378.8 Ų78.856%0.56442%0.422SS*.EExtended strand (participates in β ladder)trans-121.3117.8161.5-179.20000107.7Y10 V52 L53 L54Y10-V13 HydrophobicContact CD1-CG2 4.38Å; V13-V52 HydrophobicContact CG1-CG1 4.19Å; V13-L53 VanDerWaalsContact CA-O 3.32Å; V13-L53 WeakPolarHBondContact CA-O 3.26Å; V13-L54 HydrophobicContact CB-CD2 4.28Å; V13-L54 HydrophobicContact CG1-CD2 3.82Å; V13-L54 HydrophobicContact CG2-CD2 3.8Å
14R92.2Very high81.3Confident164 Ų16479.6 Ų79.662%0.61943%0.429SS*.EExtended strand (participates in β ladder)trans-140.8136.8-178.4-75.5-178-175.4-1481.7112.4I12 V16 V52 L53I12-R14 HydrophobicContact CG2-CB 4.25Å; I12-R14 HydrophobicContact CG2-CG 3.55Å; R14-V16 HydrophobicContact CB-CG1 4.42Å; R14-V52 CarbonylContact O-C 3.57Å; R14-V52 WeakPolarHBondContact O-CA 3.24Å; R14-L53 PolarHBondContact N-O 3.02Å; R14-L53 PolarHBondContact O-N 3.21Å
15C94.1Very high83.7Confident111 Ų11176.6 Ų76.675%0.7541%0.406SS*.EExtended strand (participates in β ladder)trans-84.2128.8164.6-62.50000109.6Y51C15-Y51 CarbonylContact C-O 3.59Å; C15-Y51 VanDerWaalsContact CA-O 3.29Å; C15-Y51 WeakPolarHBondContact CA-O 3.46Å
16V94.6Very high85.8Confident53 Ų5380.8 Ų80.832%0.32142%0.42SS..EExtended strand (participates in β ladder)trans-132.6163.2177.5-58.20000110.3R14 H50 Y51 L53R14-V16 HydrophobicContact CB-CG1 4.42Å; V16-H50 CarbonylContact O-C 3.59Å; V16-H50 WeakPolarHBondContact O-CA 3.39Å; V16-Y51 HydrophobicContact CG2-CD2 4.25Å; V16-Y51 PolarHBondContact N-O 3.17Å; V16-Y51 PolarHBondContact O-N 3.44Å; V16-L53 HydrophobicContact CB-CD1 4.39Å; V16-L53 HydrophobicContact CG1-CD1 3.67Å; V16-L53 HydrophobicContact CG1-CG 4.17Å; V16-L53 HydrophobicContact CG2-CD1 3.8Å; V16-L53 HydrophobicContact CG2-CD2 4.11Å; V16-L53 HydrophobicContact CG2-CG 3.71Å
17K96.2Very high87.4Confident115 Ų11583 Ų8350%0.544%0.439SS..EExtended strand (participates in β ladder)trans-135.4140.4177.3-174.4-173.2176.5-176.60109D48 Q49K17-D48 WeakPolarHBondContact CE-O 3.45Å; K17-D48 VanDerWaalsContact CE-OD1 3.23Å; K17-D48 WeakPolarHBondContact CE-OD1 3.21Å; K17-D48 IonicContact NZ-OD1 2.69Å; K17-D48 PolarHBondContact NZ-OD1 3.32Å; K17-Q49 VanDerWaalsContact CA-O 3.3Å; K17-Q49 WeakPolarHBondContact CA-O 3.41Å
18G96.2Very high88.9Confident18 Ų1883.4 Ų83.419%0.18644%0.439CS..SBendtrans146.8-168.1175.500000113.9A47 Q49 Y51G18-A47 WeakPolarHBondContact CA-O 3.2Å; G18-A47 PolarHBondContact N-O 3.43Å; G18-Q49 PolarHBondContact N-O 3.42Å; G18-Q49 VanDerWaalsContact N-O 3.1Å; G18-Y51 WeakPolarHBondContact O-CE2 3.42Å
19K95.7Very high90.4Very high154 Ų15485.1 Ų85.167%0.6745%0.448SS*.PPolyproline II helixtrans-82.5157.9170.1-68.3-173.6176.1-176.20110.7P21 A47K19-P21 WeakPolarHBondContact O-CD 3.45Å; K19-A47 HydrophobicContact CG-CB 4.15Å
20Y93.9Very high91.7Very high81 Ų8189 Ų8932%0.31846%0.46SS..PPolyproline II helixtrans-60.4125.5168.7-104.6-105.8000110.8L24 L25 P42 Y51Y20-L24 HydrophobicContact CD1-CB 3.9Å; Y20-L24 HydrophobicContact CD1-CD1 4.45Å; Y20-L24 HydrophobicContact CE1-CB 4.26Å; Y20-L24 HydrophobicContact CE1-CD1 4.4Å; Y20-L25 HydrophobicContact CD1-CD2 4.3Å; Y20-L25 HydrophobicContact CG-CD2 4.3Å; Y20-P42 HydrophobicContact CD1-CB 4.1Å; Y20-P42 HydrophobicContact CD1-CG 3.55Å; Y20-P42 HydrophobicContact CD2-CB 3.69Å; Y20-P42 HydrophobicContact CD2-CG 4.09Å; Y20-P42 HydrophobicContact CE1-CB 4Å; Y20-P42 HydrophobicContact CE1-CG 3.52Å; Y20-P42 HydrophobicContact CE2-CB 3.57Å; Y20-P42 HydrophobicContact CE2-CG 4.07Å; Y20-P42 HydrophobicContact CG-CB 3.95Å; Y20-P42 HydrophobicContact CG-CG 3.84Å; Y20-Y51 HydrophobicContact CD2-CE1 4.26Å; Y20-Y51 AromaticContact CD2-CZ 3.88Å; Y20-Y51 HydrophobicContact CE2-CD1 4.3Å; Y20-Y51 AromaticContact CE2-CE1 3.62Å; Y20-Y51 HydrophobicContact CE2-CE1 3.62Å; Y20-Y51 AromaticContact CE2-CZ 3.72Å
21P93.9Very high92.9Very high65 Ų6588.3 Ų88.342%0.42246%0.459SS..PPolyproline II helixtrans-57.9146.8172.9-24.634000112.1K19 E23 L24 L25K19-P21 WeakPolarHBondContact O-CD 3.45Å; P21-E23 PolarHBondContact O-N 2.69Å; P21-L24 HydrophobicContact CB-CG 4.46Å; P21-L24 HydrophobicContact CG-CD1 4.31Å; P21-L24 HydrophobicContact CG-CG 4.49Å; P21-L24 PolarHBondContact O-N 2.82Å; P21-L24 VanDerWaalsContact O-N 3.09Å; P21-L25 PolarHBondContact O-N 3.39Å
22A95.4Very high93.8Very high71 Ų7185.8 Ų85.859%0.58744%0.444SS*.Hα-helixtrans-59.1-33.4-177.700000112.4L25 K26A22-L25 PolarHBondContact O-N 2.92Å; A22-K26 WeakPolarHBondContact O-CB 3.43Å; A22-K26 PolarHBondContact O-N 3.47Å
23E96.3Very high94.3Very high140 Ų14089.5 Ų89.565%0.65446%0.464SS*.Hα-helixtrans-66-40.7177.9-60.778.1-173.200111.9P21 K26 A27P21-E23 PolarHBondContact O-N 2.69Å; E23-K26 PolarHBondContact O-N 3.17Å; E23-A27 PolarHBondContact O-N 3.16Å
24L93.9Very high94.3Very high88 Ų8891.2 Ų91.246%0.46147%0.47SS..Hα-helixtrans-73.2-35.7177.2-64.6-171.1000111.6Y20 P21 A27 W28Y20-L24 HydrophobicContact CD1-CB 3.9Å; Y20-L24 HydrophobicContact CD1-CD1 4.45Å; Y20-L24 HydrophobicContact CE1-CB 4.26Å; Y20-L24 HydrophobicContact CE1-CD1 4.4Å; P21-L24 HydrophobicContact CB-CG 4.46Å; P21-L24 HydrophobicContact CG-CD1 4.31Å; P21-L24 HydrophobicContact CG-CG 4.49Å; P21-L24 PolarHBondContact O-N 2.82Å; P21-L24 VanDerWaalsContact O-N 3.09Å; L24-A27 PolarHBondContact O-N 2.89Å; L24-W28 WeakPolarHBondContact O-CB 3.49Å; L24-W28 PolarHBondContact O-N 3.14Å
25L95.6Very high94Very high26 Ų2687.4 Ų87.414%0.13646%0.461CS..Hα-helixtrans-61.3-45.1171.5-68.7177.7000111.1Y20 P21 A22 A27 W28 D29 P42 D43Y20-L25 HydrophobicContact CD1-CD2 4.3Å; Y20-L25 HydrophobicContact CG-CD2 4.3Å; P21-L25 PolarHBondContact O-N 3.39Å; A22-L25 PolarHBondContact O-N 2.92Å; L25-A27 VanDerWaalsContact C-N 3.34Å; L25-A27 PolarHBondContact O-N 2.82Å; L25-W28 WeakPolarHBondContact O-CB 3.37Å; L25-W28 PolarHBondContact O-N 2.56Å; L25-D29 PolarHBondContact O-N 3.24Å; L25-P42 HydrophobicContact CD2-CG 3.98Å; L25-D43 HydrophobicContact CD1-CB 4.26Å; L25-D43 HydrophobicContact CD2-CB 3.95Å
26K96.4Very high93.5Very high136 Ų13692.9 Ų92.959%0.59147%0.467SS*.Hα-helixtrans-61.6-41175.5-176179.6179.4-179.50112.3A22 E23 W28 D29 Q30A22-K26 WeakPolarHBondContact O-CB 3.43Å; A22-K26 PolarHBondContact O-N 3.47Å; E23-K26 PolarHBondContact O-N 3.17Å; K26-W28 VanDerWaalsContact C-N 3.35Å; K26-D29 PolarHBondContact O-N 3.29Å; K26-Q30 WeakPolarHBondContact O-CG 3.33Å; K26-Q30 PolarHBondContact O-N 3.08Å
27A94.4Very high93Very high49 Ų4993 Ų9341%0.40547%0.468SS..Hα-helixtrans-64.3-40.7175.800000111.7E23 L24 L25 Q30 F31E23-A27 PolarHBondContact O-N 3.16Å; L24-A27 PolarHBondContact O-N 2.89Å; L25-A27 VanDerWaalsContact C-N 3.34Å; L25-A27 PolarHBondContact O-N 2.82Å; A27-Q30 PolarHBondContact O-N 3.43Å; A27-F31 PolarHBondContact O-N 3.11Å
28W94.8Very high92.5Very high65 Ų6595.8 Ų95.825%0.24648%0.482CS..Hα-helixtrans-61.6-46.3173.3-173.598.2000111.3L24 L25 K26 Q30 F31 A32 T37 N39 R41L24-W28 WeakPolarHBondContact O-CB 3.49Å; L24-W28 PolarHBondContact O-N 3.14Å; L25-W28 WeakPolarHBondContact O-CB 3.37Å; L25-W28 PolarHBondContact O-N 2.56Å; K26-W28 VanDerWaalsContact C-N 3.35Å; W28-Q30 VanDerWaalsContact C-N 3.33Å; W28-Q30 PolarHBondContact O-N 2.86Å; W28-F31 WeakPolarHBondContact O-CB 3.33Å; W28-F31 PolarHBondContact O-N 2.67Å; W28-F31 VanDerWaalsContact O-N 3.1Å; W28-A32 HydrophobicContact CE3-CB 4.1Å; W28-A32 HydrophobicContact CH2-CB 3.91Å; W28-A32 HydrophobicContact CZ2-CB 4.43Å; W28-A32 HydrophobicContact CZ3-CB 3.74Å; W28-A32 WeakPolarHBondContact O-CB 3.49Å; W28-A32 PolarHBondContact O-N 2.85Å; W28-T37 HydrophobicContact CH2-CG2 4.48Å; W28-T37 HydrophobicContact CZ2-CG2 3.99Å; W28-N39 WeakPolarHBondContact CZ2-O 3.24Å; W28-R41 HydrophobicContact CD2-CB 4.35Å; W28-R41 HydrophobicContact CD2-CG 4.14Å; W28-R41 HydrophobicContact CE3-CB 3.96Å; W28-R41 HydrophobicContact CE3-CG 3.61Å; W28-R41 HydrophobicContact CH2-CB 3.59Å; W28-R41 HydrophobicContact CH2-CG 4.18Å; W28-R41 VanDerWaalsContact CZ2-CA 3.5Å; W28-R41 HydrophobicContact CZ2-CB 3.97Å; W28-R41 HydrophobicContact CZ3-CB 3.57Å; W28-R41 HydrophobicContact CZ3-CG 3.63Å
29D95.3Very high92Very high53 Ų53100.8 Ų100.828%0.28351%0.505SS..Hα-helixtrans-60.2-42.8178.4-65.6-31.3000111.2L25 K26 F31 A32 L33 R41L25-D29 PolarHBondContact O-N 3.24Å; K26-D29 PolarHBondContact O-N 3.29Å; D29-F31 VanDerWaalsContact C-N 3.34Å; D29-F31 PolarHBondContact O-N 2.98Å; D29-A32 PolarHBondContact O-N 2.98Å; D29-L33 WeakPolarHBondContact O-CG 3.1Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-R41 IonicContact OD1-CZ 2.84Å; D29-R41 IonicContact OD1-NE 3.94Å; D29-R41 PolarHBondContact OD1-NE 2.91Å; D29-R41 IonicContact OD1-NH2 3.9Å; D29-R41 PolarHBondContact OD1-NH2 3.48Å; D29-R41 IonicContact OD2-CZ 2.68Å; D29-R41 IonicContact OD2-NE 3.24Å; D29-R41 IonicContact OD2-NH2 3.88Å; D29-R41 PolarHBondContact OD2-NH2 2.93Å
30Q95.1Very high91.8Very high107 Ų10799.4 Ų99.450%0.550%0.504SS..Hα-helixtrans-63.1-38.5175.1-74.7177.3-13.900112.6K26 A27 W28 N34K26-Q30 WeakPolarHBondContact O-CG 3.33Å; K26-Q30 PolarHBondContact O-N 3.08Å; A27-Q30 PolarHBondContact O-N 3.43Å; W28-Q30 VanDerWaalsContact C-N 3.33Å; W28-Q30 PolarHBondContact O-N 2.86Å; Q30-N34 PolarHBondContact O-ND2 3.37Å
31F91.7Very high91.8Very high110 Ų11099 Ų9948%0.48250%0.503SS..Hα-helixtrans-66.9-45.4175.7-176.9-89.4000111.1A27 W28 D29 L33 N34 N35 T37A27-F31 PolarHBondContact O-N 3.11Å; W28-F31 WeakPolarHBondContact O-CB 3.33Å; W28-F31 PolarHBondContact O-N 2.67Å; W28-F31 VanDerWaalsContact O-N 3.1Å; D29-F31 VanDerWaalsContact C-N 3.34Å; D29-F31 PolarHBondContact O-N 2.98Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 2.99Å; F31-N34 PolarHBondContact O-N 2.87Å; F31-N34 VanDerWaalsContact O-N 3.11Å; F31-N35 HydrophobicContact CD1-CB 4.13Å; F31-N35 HydrophobicContact CE1-CB 3.69Å; F31-N35 HydrophobicContact CE2-CB 4.22Å; F31-N35 HydrophobicContact CZ-CB 3.74Å; F31-N35 WeakPolarHBondContact O-CB 3.13Å; F31-N35 PolarHBondContact O-N 2.82Å; F31-N35 PolarHBondContact O-ND2 2.86Å; F31-T37 HydrophobicContact CD1-CG2 4.1Å; F31-T37 HydrophobicContact CE1-CG2 4.38Å
32A92.7Very high91.7Very high32 Ų3296.4 Ų96.426%0.26449%0.485SS..Hα-helixtrans-64.4-32.7-178.600000113.6W28 D29 N34 T37W28-A32 HydrophobicContact CE3-CB 4.1Å; W28-A32 HydrophobicContact CH2-CB 3.91Å; W28-A32 HydrophobicContact CZ2-CB 4.43Å; W28-A32 HydrophobicContact CZ3-CB 3.74Å; W28-A32 WeakPolarHBondContact O-CB 3.49Å; W28-A32 PolarHBondContact O-N 2.85Å; D29-A32 PolarHBondContact O-N 2.98Å; A32-N34 VanDerWaalsContact C-N 3.27Å; A32-N34 PolarHBondContact O-N 3.14Å; A32-T37 HydrophobicContact CB-CG2 3.63Å
33L92.8Very high91.7Very high148 Ų14897 Ų9778%0.77548%0.479SS*.Hα-helixtrans-66.1-29.9174-74.8169.9000113D29 F31D29-L33 WeakPolarHBondContact O-CG 3.1Å; D29-L33 PolarHBondContact O-N 2.86Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 2.99Å
34N88.7Confident91.5Very high130 Ų13096.5 Ų96.570%0.69547%0.472SS*.Hα-helixtrans-104.4-14.1-172.3-66.9-54.8000113.5Q30 F31 A32Q30-N34 PolarHBondContact O-ND2 3.37Å; F31-N34 PolarHBondContact O-N 2.87Å; F31-N34 VanDerWaalsContact O-N 3.11Å; A32-N34 VanDerWaalsContact C-N 3.27Å; A32-N34 PolarHBondContact O-N 3.14Å
35N85.6Confident91.5Very high83 Ų8395 Ų9544%0.44446%0.462SS..SBendtrans-142.3167.9-170.9-56.1-82.7000111.1F31F31-N35 HydrophobicContact CD1-CB 4.13Å; F31-N35 HydrophobicContact CE1-CB 3.69Å; F31-N35 HydrophobicContact CE2-CB 4.22Å; F31-N35 HydrophobicContact CZ-CB 3.74Å; F31-N35 WeakPolarHBondContact O-CB 3.13Å; F31-N35 PolarHBondContact O-N 2.82Å; F31-N35 PolarHBondContact O-ND2 2.86Å
36R84.4Confident91.4Very high227 Ų22797.8 Ų97.886%0.85748%0.48SS*.  trans-79139.5167.1-66.1-177.8179.1-178.1-1.6109.7
37T85Confident91.3Very high56 Ų5693.9 Ų93.934%0.34447%0.473SS..  trans-112.1126.3174.657.70000109.8W28 F31 A32 N39W28-T37 HydrophobicContact CH2-CG2 4.48Å; W28-T37 HydrophobicContact CZ2-CG2 3.99Å; F31-T37 HydrophobicContact CD1-CG2 4.1Å; F31-T37 HydrophobicContact CE1-CG2 4.38Å; A32-T37 HydrophobicContact CB-CG2 3.63Å; T37-N39 VanDerWaalsContact C-N 3.32Å
38E84.1Confident91.4Very high173 Ų17396.4 Ų96.481%0.80848%0.48SS*.SBendtrans-84.5-12.9170.8-59.6-58144.600112.2
39N86.6Confident91.5Very high123 Ų12396.7 Ų96.766%0.65848%0.484SS*.SBendtrans-107.8145.6-176.5-65.6-58000111.1W28 T37W28-N39 WeakPolarHBondContact CZ2-O 3.24Å; T37-N39 VanDerWaalsContact C-N 3.32Å
40N91.3Very high91.5Very high124 Ų124100.1 Ų100.166%0.66350%0.498SS*.  trans-63.7149.4167-67.6-38.3000110.3Y44N40-Y44 HydrophobicContact CB-CD1 4.27Å; N40-Y44 HydrophobicContact CB-CE1 3.49Å; N40-Y44 VanDerWaalsContact CB-CE1 3.49Å
41R93.5Very high91.4Very high74 Ų7496.9 Ų96.928%0.27948%0.481SS..  trans-54.9129.1171.2-172.7175.9-166.7-101.70.6109.2W28 D29 D43 Y44W28-R41 HydrophobicContact CD2-CB 4.35Å; W28-R41 HydrophobicContact CD2-CG 4.14Å; W28-R41 HydrophobicContact CE3-CB 3.96Å; W28-R41 HydrophobicContact CE3-CG 3.61Å; W28-R41 HydrophobicContact CH2-CB 3.59Å; W28-R41 HydrophobicContact CH2-CG 4.18Å; W28-R41 VanDerWaalsContact CZ2-CA 3.5Å; W28-R41 HydrophobicContact CZ2-CB 3.97Å; W28-R41 HydrophobicContact CZ3-CB 3.57Å; W28-R41 HydrophobicContact CZ3-CG 3.63Å; D29-R41 IonicContact OD1-CZ 2.84Å; D29-R41 IonicContact OD1-NE 3.94Å; D29-R41 PolarHBondContact OD1-NE 2.91Å; D29-R41 IonicContact OD1-NH2 3.9Å; D29-R41 PolarHBondContact OD1-NH2 3.48Å; D29-R41 IonicContact OD2-CZ 2.68Å; D29-R41 IonicContact OD2-NE 3.24Å; D29-R41 IonicContact OD2-NH2 3.88Å; D29-R41 PolarHBondContact OD2-NH2 2.93Å; R41-D43 HydrophobicContact CG-CB 4.44Å; R41-D43 WeakPolarHBondContact CG-OD1 3.41Å; R41-D43 IonicContact CZ-OD2 3.32Å; R41-D43 VanDerWaalsContact NH1-CB 3.35Å; R41-D43 IonicContact NH1-OD2 3.19Å; R41-D43 PolarHBondContact NH1-OD2 3.17Å; R41-D43 PolarHBondContact O-N 3.36Å; R41-D43 VanDerWaalsContact O-OD1 3.06Å; R41-Y44 WeakPolarHBondContact O-CD1 3.5Å; R41-Y44 WeakPolarHBondContact O-CE1 3.49Å
42P92.7Very high91.5Very high9 Ų996.1 Ų96.16%0.05849%0.485CS..G310 helixtrans-81.719.3-168.232.9-37.1000114.6Y20 L25 Y44 F45Y20-P42 HydrophobicContact CD1-CB 4.1Å; Y20-P42 HydrophobicContact CD1-CG 3.55Å; Y20-P42 HydrophobicContact CD2-CB 3.69Å; Y20-P42 HydrophobicContact CD2-CG 4.09Å; Y20-P42 HydrophobicContact CE1-CB 4Å; Y20-P42 HydrophobicContact CE1-CG 3.52Å; Y20-P42 HydrophobicContact CE2-CB 3.57Å; Y20-P42 HydrophobicContact CE2-CG 4.07Å; Y20-P42 HydrophobicContact CG-CB 3.95Å; Y20-P42 HydrophobicContact CG-CG 3.84Å; L25-P42 HydrophobicContact CD2-CG 3.98Å; P42-Y44 VanDerWaalsContact C-N 3.34Å; P42-F45 HydrophobicContact CB-CD2 3.95Å; P42-F45 HydrophobicContact CB-CE2 4.04Å; P42-F45 WeakPolarHBondContact O-CD2 3.41Å
43D93.9Very high91.4Very high83 Ų8398.3 Ų98.344%0.44449%0.492SS..G310 helixtrans-78.7-15.7179.462.1-28000113.8L25 R41 F45L25-D43 HydrophobicContact CD1-CB 4.26Å; L25-D43 HydrophobicContact CD2-CB 3.95Å; R41-D43 HydrophobicContact CG-CB 4.44Å; R41-D43 WeakPolarHBondContact CG-OD1 3.41Å; R41-D43 IonicContact CZ-OD2 3.32Å; R41-D43 VanDerWaalsContact NH1-CB 3.35Å; R41-D43 IonicContact NH1-OD2 3.19Å; R41-D43 PolarHBondContact NH1-OD2 3.17Å; R41-D43 PolarHBondContact O-N 3.36Å; R41-D43 VanDerWaalsContact O-OD1 3.06Å; D43-F45 PolarHBondContact O-N 2.99Å
44Y93.2Very high91.2Very high131 Ų13196 Ų9651%0.51448%0.48SS..G310 helixtrans-72.9-11.9175.464.6-93.9000113.7N40 R41 P42N40-Y44 HydrophobicContact CB-CD1 4.27Å; N40-Y44 HydrophobicContact CB-CE1 3.49Å; N40-Y44 VanDerWaalsContact CB-CE1 3.49Å; R41-Y44 WeakPolarHBondContact O-CD1 3.5Å; R41-Y44 WeakPolarHBondContact O-CE1 3.49Å; P42-Y44 VanDerWaalsContact C-N 3.34Å
45F93Very high91.1Very high56 Ų5692.6 Ų92.625%0.24647%0.466CS..  trans-74.5137.9177.9-67.9-67.1000111.9P42 D43 Q49 Y51P42-F45 HydrophobicContact CB-CD2 3.95Å; P42-F45 HydrophobicContact CB-CE2 4.04Å; P42-F45 WeakPolarHBondContact O-CD2 3.41Å; D43-F45 PolarHBondContact O-N 2.99Å; F45-Q49 HydrophobicContact CB-CB 4.01Å; F45-Q49 HydrophobicContact CB-CG 4.08Å; F45-Q49 HydrophobicContact CD1-CB 4.39Å; F45-Q49 HydrophobicContact CD1-CG 3.77Å; F45-Q49 HydrophobicContact CE1-CG 4.42Å; F45-Q49 HydrophobicContact CG-CB 4.48Å; F45-Q49 HydrophobicContact CG-CG 4.03Å; F45-Y51 WeakPolarHBondContact CB-OH 3.46Å; F45-Y51 HydrophobicContact CD2-CE1 4.33Å; F45-Y51 WeakPolarHBondContact CD2-OH 3.47Å; F45-Y51 WeakPolarHBondContact CG-OH 3.3Å
46T93.5Very high91.2Very high85 Ų8592.9 Ų92.952%0.52147%0.465SS..  trans-79.3170.1-17970.80000111.6D48 Q49T46-D48 PolarHBondContact O-N 3.48Å; T46-D48 PolarHBondContact OG1-N 3.07Å; T46-Q49 WeakPolarHBondContact O-CB 3.49Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.15Å
47A94.9Very high91.4Very high53 Ų5386.8 Ų86.844%0.43845%0.447SS..THydrogen-bonded Turntrans-63.2-11.4173.500000113.4G18 K19G18-A47 WeakPolarHBondContact CA-O 3.2Å; G18-A47 PolarHBondContact N-O 3.43Å; K19-A47 HydrophobicContact CG-CB 4.15Å
48D96.2Very high91.6Very high103 Ų10390 Ų9055%0.55146%0.462SS*.THydrogen-bonded Turntrans-89.5-8177.8-72.2-55.6000114.6K17 T46 H50K17-D48 WeakPolarHBondContact CE-O 3.45Å; K17-D48 VanDerWaalsContact CE-OD1 3.23Å; K17-D48 WeakPolarHBondContact CE-OD1 3.21Å; K17-D48 IonicContact NZ-OD1 2.69Å; K17-D48 PolarHBondContact NZ-OD1 3.32Å; T46-D48 PolarHBondContact O-N 3.48Å; T46-D48 PolarHBondContact OG1-N 3.07Å; D48-H50 PolarHBondContact O-CE1 3.49Å; D48-H50 PolarHBondContact O-N 2.7Å; D48-H50 PolarHBondContact O-ND1 3.46Å
49Q96.3Very high91.8Very high71 Ų7182 Ų8233%0.33243%0.425SS..  trans-65.9133-179.2-174.960.551.500110.9K17 G18 F45 T46 Y51K17-Q49 VanDerWaalsContact CA-O 3.3Å; K17-Q49 WeakPolarHBondContact CA-O 3.41Å; G18-Q49 PolarHBondContact N-O 3.42Å; G18-Q49 VanDerWaalsContact N-O 3.1Å; F45-Q49 HydrophobicContact CB-CB 4.01Å; F45-Q49 HydrophobicContact CB-CG 4.08Å; F45-Q49 HydrophobicContact CD1-CB 4.39Å; F45-Q49 HydrophobicContact CD1-CG 3.77Å; F45-Q49 HydrophobicContact CE1-CG 4.42Å; F45-Q49 HydrophobicContact CG-CB 4.48Å; F45-Q49 HydrophobicContact CG-CG 4.03Å; T46-Q49 WeakPolarHBondContact O-CB 3.49Å; T46-Q49 PolarHBondContact O-N 3.41Å; T46-Q49 VanDerWaalsContact O-N 3.15Å; Q49-Y51 HydrophobicContact CB-CE1 4.49Å; Q49-Y51 HydrophobicContact CB-CE2 3.85Å; Q49-Y51 HydrophobicContact CG-CD1 4.19Å; Q49-Y51 HydrophobicContact CG-CD2 4.31Å; Q49-Y51 HydrophobicContact CG-CE1 3.46Å; Q49-Y51 VanDerWaalsContact CG-CE1 3.46Å; Q49-Y51 HydrophobicContact CG-CE2 3.63Å; Q49-Y51 VanDerWaalsContact CG-OH 3.26Å; Q49-Y51 WeakPolarHBondContact CG-OH 3.37Å
50H95.5Very high92.2Very high125 Ų12577.4 Ų77.458%0.57941%0.408SS*.EExtended strand (participates in β ladder)trans-97.9145.4173.1-64.672.3000110V16 D48V16-H50 CarbonylContact O-C 3.59Å; V16-H50 WeakPolarHBondContact O-CA 3.39Å; D48-H50 PolarHBondContact O-CE1 3.49Å; D48-H50 PolarHBondContact O-N 2.7Å; D48-H50 PolarHBondContact O-ND1 3.46Å
51Y93.5Very high92.3Very high39 Ų3975.1 Ų75.115%0.15340%0.398CS..EExtended strand (participates in β ladder)trans-137.8151179.8-54.4-83.1000110.9C15 V16 G18 Y20 F45 Q49C15-Y51 CarbonylContact C-O 3.59Å; C15-Y51 VanDerWaalsContact CA-O 3.29Å; C15-Y51 WeakPolarHBondContact CA-O 3.46Å; V16-Y51 HydrophobicContact CG2-CD2 4.25Å; V16-Y51 PolarHBondContact N-O 3.17Å; V16-Y51 PolarHBondContact O-N 3.44Å; G18-Y51 WeakPolarHBondContact O-CE2 3.42Å; Y20-Y51 HydrophobicContact CD2-CE1 4.26Å; Y20-Y51 AromaticContact CD2-CZ 3.88Å; Y20-Y51 HydrophobicContact CE2-CD1 4.3Å; Y20-Y51 AromaticContact CE2-CE1 3.62Å; Y20-Y51 HydrophobicContact CE2-CE1 3.62Å; Y20-Y51 AromaticContact CE2-CZ 3.72Å; F45-Y51 WeakPolarHBondContact CB-OH 3.46Å; F45-Y51 HydrophobicContact CD2-CE1 4.33Å; F45-Y51 WeakPolarHBondContact CD2-OH 3.47Å; F45-Y51 WeakPolarHBondContact CG-OH 3.3Å; Q49-Y51 HydrophobicContact CB-CE1 4.49Å; Q49-Y51 HydrophobicContact CB-CE2 3.85Å; Q49-Y51 HydrophobicContact CG-CD1 4.19Å; Q49-Y51 HydrophobicContact CG-CD2 4.31Å; Q49-Y51 HydrophobicContact CG-CE1 3.46Å; Q49-Y51 VanDerWaalsContact CG-CE1 3.46Å; Q49-Y51 HydrophobicContact CG-CE2 3.63Å; Q49-Y51 VanDerWaalsContact CG-OH 3.26Å; Q49-Y51 WeakPolarHBondContact CG-OH 3.37Å
52V93.6Very high92.4Very high93 Ų9372.4 Ų72.456%0.56439%0.39SS*.EExtended strand (participates in β ladder)trans-102.4116.3161.6-178.90000107.4V13 R14 L54V13-V52 HydrophobicContact CG1-CG1 4.19Å; R14-V52 CarbonylContact O-C 3.57Å; R14-V52 WeakPolarHBondContact O-CA 3.24Å; V52-L54 HydrophobicContact CG1-CD2 3.88Å; V52-L54 HydrophobicContact CG1-CG 4.29Å
53L90.1Very high92.7Very high79 Ų7972 Ų7241%0.41439%0.388SS..EExtended strand (participates in β ladder)trans-87.4120.6173.2-59.2-177.4000109.1V13 R14 V16V13-L53 VanDerWaalsContact CA-O 3.32Å; V13-L53 WeakPolarHBondContact CA-O 3.26Å; R14-L53 PolarHBondContact N-O 3.02Å; R14-L53 PolarHBondContact O-N 3.21Å; V16-L53 HydrophobicContact CB-CD1 4.39Å; V16-L53 HydrophobicContact CG1-CD1 3.67Å; V16-L53 HydrophobicContact CG1-CG 4.17Å; V16-L53 HydrophobicContact CG2-CD1 3.8Å; V16-L53 HydrophobicContact CG2-CD2 4.11Å; V16-L53 HydrophobicContact CG2-CG 3.71Å
54L88.8Confident92.7Very high98 Ų9873.2 Ų73.251%0.51339%0.391SS..EExtended strand (participates in β ladder)trans-110.1107.8171.8-57178.4000107.9Y10 V13 V52Y10-L54 HydrophobicContact CE1-CB 4.42Å; V13-L54 HydrophobicContact CB-CD2 4.28Å; V13-L54 HydrophobicContact CG1-CD2 3.82Å; V13-L54 HydrophobicContact CG2-CD2 3.8Å; V52-L54 HydrophobicContact CG1-CD2 3.88Å; V52-L54 HydrophobicContact CG1-CG 4.29Å
55C88Confident92.7Very high59 Ų5972.5 Ų72.540%0.39940%0.396SS..EExtended strand (participates in β ladder)trans-96119.4171.7-165.80000108.7S11 I12S11-C55 PolarHBondContact N-O 3.14Å; S11-C55 WeakPolarHBondContact OG-CB 3.33Å; S11-C55 PolarHBondContact OG-O 2.9Å; S11-C55 PolarHBondContact OG-SG 2.74Å; I12-C55 HydrophobicContact CB-CB 3.78Å; I12-C55 HydrophobicContact CG1-CB 4.28Å; I12-C55 PolarHBondContact N-O 3.46Å; I12-C55 PolarHBondContact O-N 2.58Å
56M86.9Confident92.9Very high89 Ų8972 Ų7244%0.43839%0.393SS..EExtended strand (participates in β ladder)trans-124.4156.6-175.3-56.1-175.3-5400110.3L8 G9 Y10L8-M56 HydrophobicContact CB-CB 4.35Å; L8-M56 HydrophobicContact CD1-CB 4.29Å; L8-M56 HydrophobicContact CD1-CE 4Å; L8-M56 HydrophobicContact CD1-SD 4.19Å; G9-M56 CarbonylContact O-C 3.54Å; G9-M56 WeakPolarHBondContact O-CA 3.32Å; Y10-M56 HydrophobicContact CD1-CG 3.67Å; Y10-M56 HydrophobicContact CD1-SD 4.29Å; Y10-M56 HydrophobicContact CE1-CG 3.54Å; Y10-M56 HydrophobicContact CE1-SD 3.53Å; Y10-M56 VanDerWaalsContact CE1-SD 3.53Å; Y10-M56 HydrophobicContact CG-CG 4.49Å
57E88.4Confident93.1Very high99 Ų9975.9 Ų75.946%0.46340%0.403SS..  trans-59.5152.3166.4-70.2-176.9-165.400112.3G9 G59G9-E57 PolarHBondContact O-N 2.95Å; E57-G59 PolarHBondContact O-N 3.19Å; E57-G59 VanDerWaalsContact O-N 3.16Å
58N88.7Confident93.2Very high124 Ų12473.5 Ų73.566%0.66338%0.383SS*.  trans-74.1106.8172.3-175.8-1.6000110.6G60 R107N58-G60 VanDerWaalsContact C-N 3.28Å; N58-G60 PolarHBondContact O-N 3.44Å; N58-G60 PolarHBondContact OD1-N 2.85Å; N58-R107 PolarHBondContact O-NH1 2.87Å
59G89.6Confident93.2Very high4 Ų471.3 Ų71.34%0.04137%0.373CS..  trans-74.9-9.3177.500000115.9E57 L105E57-G59 PolarHBondContact O-N 3.19Å; E57-G59 VanDerWaalsContact O-N 3.16Å; G59-L105 WeakPolarHBondContact O-CB 3.1Å
60G93.9Very high93.2Very high28 Ų2869.8 Ų69.829%0.28937%0.371SS..  trans93.3-148-17000000112.3N58N58-G60 VanDerWaalsContact C-N 3.28Å; N58-G60 PolarHBondContact O-N 3.44Å; N58-G60 PolarHBondContact OD1-N 2.85Å
61V94.9Very high93.2Very high75 Ų7564.3 Ų64.346%0.45535%0.346SS..EExtended strand (participates in β ladder)trans-104.9155.8-177.3-61.50000110.4F66 L105 V106V61-F66 HydrophobicContact CG2-CB 4.12Å; V61-F66 HydrophobicContact CG2-CD2 3.84Å; V61-L105 CarbonylContact O-C 3.54Å; V61-L105 WeakPolarHBondContact O-CA 3.17Å; V61-V106 PolarHBondContact N-O 2.99Å; V61-V106 VanDerWaalsContact N-O 3.07Å; V61-V106 PolarHBondContact O-N 2.96Å
62S95.5Very high93.3Very high18 Ų1867 Ų6713%0.12636%0.359CS..EExtended strand (participates in β ladder)trans-59.2147.2171.462.70000111.4E64 N65 F66 I104S62-E64 PolarHBondContact O-N 3.22Å; S62-N65 CarbonylContact O-C 3.5Å; S62-N65 PolarHBondContact O-N 3.36Å; S62-N65 PolarHBondContact OG-ND2 3Å; S62-F66 PolarHBondContact O-N 3.22Å; S62-I104 CarbonylContact C-O 3.59Å; S62-I104 WeakPolarHBondContact CA-O 3.46Å
63L97.3Very high93.5Very high1 Ų163.4 Ų63.41%0.00534%0.337CS..THydrogen-bonded Turntrans-59.8-30.9178.4174.660.4000111.5N65 F66 I77 V101 I104 V106 L196 F199L63-N65 VanDerWaalsContact C-N 3.25Å; L63-N65 PolarHBondContact O-N 2.93Å; L63-F66 HydrophobicContact CD1-CB 4.31Å; L63-F66 PolarHBondContact O-N 2.82Å; L63-I77 HydrophobicContact CD1-CD1 3.82Å; L63-I77 HydrophobicContact CD2-CG2 3.97Å; L63-V101 HydrophobicContact CB-CB 4.25Å; L63-V101 WeakPolarHBondContact CB-O 3.37Å; L63-V101 HydrophobicContact CD2-CB 4.38Å; L63-V101 HydrophobicContact CD2-CG1 4Å; L63-V101 HydrophobicContact CG-CB 4.32Å; L63-V101 HydrophobicContact CG-CG1 4.34Å; L63-V101 PolarHBondContact N-O 2.69Å; L63-V101 VanDerWaalsContact N-O 3.15Å; L63-I104 HydrophobicContact CB-CB 4.07Å; L63-I104 HydrophobicContact CB-CG2 4.22Å; L63-I104 HydrophobicContact CD2-CB 4.42Å; L63-I104 HydrophobicContact CD2-CD1 4.15Å; L63-I104 HydrophobicContact CD2-CG2 4.32Å; L63-I104 PolarHBondContact N-O 3.29Å; L63-V106 HydrophobicContact CB-CG2 4.05Å; L63-V106 HydrophobicContact CD1-CG2 4.07Å; L63-L196 HydrophobicContact CD2-CD1 3.48Å; L63-L196 VanDerWaalsContact CD2-CD1 3.48Å; L63-F199 HydrophobicContact CD1-CE1 4.5Å; L63-F199 HydrophobicContact CD2-CE1 4.3Å; L63-F199 HydrophobicContact CG-CE1 3.99Å
64E93.8Very high93.8Very high107 Ų10759.6 Ų59.650%0.532%0.317SS..THydrogen-bonded Turntrans-55.1-40.8171.1-169.6177.7-173.500113S62 V101 S102S62-E64 PolarHBondContact O-N 3.22Å; E64-V101 HydrophobicContact CB-CB 4.41Å; E64-V101 HydrophobicContact CB-CG2 3.83Å; E64-V101 HydrophobicContact CG-CG2 4.23Å; E64-V101 PolarHBondContact N-O 2.68Å; E64-S102 PolarHBondContact OE2-OG 2.94Å
65N94.2Very high94.1Very high117 Ų11758.4 Ų58.463%0.62631%0.308SS*.THydrogen-bonded Turntrans-94.2-3.8-179.2-69.2-52000113S62 L63S62-N65 CarbonylContact O-C 3.5Å; S62-N65 PolarHBondContact O-N 3.36Å; S62-N65 PolarHBondContact OG-ND2 3Å; L63-N65 VanDerWaalsContact C-N 3.25Å; L63-N65 PolarHBondContact O-N 2.93Å
66F97.1Very high94.5Very high44 Ų4455.7 Ų55.719%0.19329%0.289CS..  trans-77.4131.4-177.6-173-97.4000111.7V61 S62 L63 L68 V106 L130V61-F66 HydrophobicContact CG2-CB 4.12Å; V61-F66 HydrophobicContact CG2-CD2 3.84Å; S62-F66 PolarHBondContact O-N 3.22Å; L63-F66 HydrophobicContact CD1-CB 4.31Å; L63-F66 PolarHBondContact O-N 2.82Å; F66-L68 HydrophobicContact CD1-CD2 3.96Å; F66-L68 HydrophobicContact CD1-CG 4.15Å; F66-L68 HydrophobicContact CE1-CD2 4.11Å; F66-L68 PolarHBondContact O-N 2.94Å; F66-L68 VanDerWaalsContact O-N 3.17Å; F66-V106 HydrophobicContact CB-CB 4.43Å; F66-V106 HydrophobicContact CD1-CG1 4.23Å; F66-V106 HydrophobicContact CD2-CB 3.81Å; F66-V106 HydrophobicContact CD2-CG1 3.69Å; F66-V106 HydrophobicContact CE1-CG1 4.19Å; F66-V106 HydrophobicContact CE2-CB 4.26Å; F66-V106 HydrophobicContact CE2-CG1 3.65Å; F66-V106 HydrophobicContact CG-CB 4.04Å; F66-V106 HydrophobicContact CG-CG1 4Å; F66-V106 HydrophobicContact CZ-CG1 3.92Å; F66-L130 HydrophobicContact CE1-CD1 4.03Å; F66-L130 HydrophobicContact CE1-CD2 4.22Å; F66-L130 HydrophobicContact CE2-CD2 4.24Å; F66-L130 HydrophobicContact CZ-CD1 4.16Å; F66-L130 HydrophobicContact CZ-CD2 3.52Å
67K96.9Very high95Very high167 Ų16751.4 Ų51.473%0.72627%0.268SS*.  trans-86.587.4179.3-67179.9-175.8171.40110.8T69K67-T69 WeakPolarHBondContact O-CG2 3.43Å
68L97.8Very high95.4Very high4 Ų447 Ų472%0.02125%0.247CC..  trans-55.7141.3173.7-68164.8000111.5F66 E73 I77 L200 A203 Y205 R206F66-L68 HydrophobicContact CD1-CD2 3.96Å; F66-L68 HydrophobicContact CD1-CG 4.15Å; F66-L68 HydrophobicContact CE1-CD2 4.11Å; F66-L68 PolarHBondContact O-N 2.94Å; F66-L68 VanDerWaalsContact O-N 3.17Å; L68-E73 WeakPolarHBondContact CA-OE2 3.42Å; L68-E73 HydrophobicContact CD2-CB 4.22Å; L68-I77 HydrophobicContact CD2-CD1 3.62Å; L68-L200 HydrophobicContact CD1-CD2 3.73Å; L68-L200 HydrophobicContact CD2-CD2 4.47Å; L68-A203 HydrophobicContact CD1-CB 3.74Å; L68-Y205 HydrophobicContact CB-CD1 3.73Å; L68-Y205 HydrophobicContact CB-CE1 3.9Å; L68-Y205 HydrophobicContact CB-CG 4.18Å; L68-Y205 HydrophobicContact CD1-CE1 4.06Å; L68-Y205 HydrophobicContact CD1-CE2 4.3Å; L68-Y205 HydrophobicContact CG-CE1 4.41Å; L68-Y205 CarbonylContact O-C 3.45Å; L68-Y205 WeakPolarHBondContact O-CA 3.48Å; L68-R206 PolarHBondContact O-N 3.47Å
69T97Very high95.6Very high56 Ų5642.4 Ų42.434%0.34422%0.222SC..  trans-119.6-28.6-177.986.30000112.8K67 E73K67-T69 WeakPolarHBondContact O-CG2 3.43Å; T69-E73 WeakPolarHBondContact CB-OE1 3.29Å; T69-E73 PolarHBondContact N-OE2 2.96Å; T69-E73 VanDerWaalsContact OG1-CD 3.26Å; T69-E73 PolarHBondContact OG1-OE1 3.44Å; T69-E73 PolarHBondContact OG1-OE2 2.98Å
70S95.9Very high95.9Very high39 Ų3942.2 Ų42.227%0.27322%0.22SC..  trans-147160.7-174.282.60000113.9E72 E73 A74 Y205S70-E72 PolarHBondContact O-N 3.19Å; S70-E72 PolarHBondContact OG-N 3.2Å; S70-E73 PolarHBondContact N-OE2 3.36Å; S70-E73 PolarHBondContact O-N 3.16Å; S70-E73 PolarHBondContact OG-N 3.42Å; S70-E73 VanDerWaalsContact OG-N 3.17Å; S70-A74 PolarHBondContact O-N 3.47Å; S70-Y205 WeakPolarHBondContact O-CD1 3.3Å; S70-Y205 WeakPolarHBondContact O-CE1 3.38Å
71L95.2Very high96Very high10 Ų1040.9 Ų40.95%0.05221%0.206CC..Hα-helixtrans-69.4-23.6173.5-174.164.4000111.9A74 K75 L210 K214 L218L71-A74 HydrophobicContact CD1-CB 4.45Å; L71-A74 PolarHBondContact O-N 3.1Å; L71-K75 WeakPolarHBondContact O-CG 3.49Å; L71-K75 PolarHBondContact O-N 3.44Å; L71-L210 HydrophobicContact CD1-CD1 4.28Å; L71-K214 HydrophobicContact CB-CD 4.49Å; L71-K214 HydrophobicContact CD2-CB 4.15Å; L71-K214 HydrophobicContact CD2-CD 4.19Å; L71-K214 HydrophobicContact CD2-CG 4.08Å; L71-L218 HydrophobicContact CD1-CD1 3.91Å; L71-L218 HydrophobicContact CD1-CD2 4.32Å; L71-L218 HydrophobicContact CD1-CG 4.07Å
72E95.5Very high96.1Very high95 Ų9537.3 Ų37.344%0.44419%0.185SC..Hα-helixtrans-71-35.6177.3-57.7-48.8129.200111.4S70 K75 S76 A128S70-E72 PolarHBondContact O-N 3.19Å; S70-E72 PolarHBondContact OG-N 3.2Å; E72-K75 PolarHBondContact O-N 3.32Å; E72-K75 IonicContact OE1-NZ 2.9Å; E72-K75 PolarHBondContact OE1-NZ 2.8Å; E72-K75 WeakPolarHBondContact OE2-CD 3.23Å; E72-K75 IonicContact OE2-NZ 3.79Å; E72-K75 PolarHBondContact OE2-NZ 3.15Å; E72-S76 PolarHBondContact O-N 3.39Å; E72-A128 HydrophobicContact CB-CB 4.43Å
73E97Very high96Very high18 Ų1836.5 Ų36.58%0.08418%0.179CC..Hα-helixtrans-60.3-47.5169.7-72.2174.3-17600111.4L68 T69 S70 K75 S76 I77 L130L68-E73 WeakPolarHBondContact CA-OE2 3.42Å; L68-E73 HydrophobicContact CD2-CB 4.22Å; T69-E73 WeakPolarHBondContact CB-OE1 3.29Å; T69-E73 PolarHBondContact N-OE2 2.96Å; T69-E73 VanDerWaalsContact OG1-CD 3.26Å; T69-E73 PolarHBondContact OG1-OE1 3.44Å; T69-E73 PolarHBondContact OG1-OE2 2.98Å; S70-E73 PolarHBondContact N-OE2 3.36Å; S70-E73 PolarHBondContact O-N 3.16Å; S70-E73 PolarHBondContact OG-N 3.42Å; S70-E73 VanDerWaalsContact OG-N 3.17Å; E73-K75 VanDerWaalsContact C-N 3.3Å; E73-K75 PolarHBondContact O-N 3.01Å; E73-S76 PolarHBondContact O-N 3.33Å; E73-S76 VanDerWaalsContact O-N 3.14Å; E73-I77 WeakPolarHBondContact O-CD1 3.47Å; E73-I77 VanDerWaalsContact O-CG1 3.3Å; E73-I77 WeakPolarHBondContact O-CG1 3.44Å; E73-I77 PolarHBondContact O-N 2.99Å; E73-L130 HydrophobicContact CB-CD1 3.6Å; E73-L130 HydrophobicContact CG-CD1 3.62Å; E73-L130 HydrophobicContact CG-CG 4.11Å
74A97.3Very high96Very high0 Ų036.5 Ų36.50%018%0.179CC..Hα-helixtrans-61.7-38.8178.600000112.5S70 L71 L78 L200 Y205S70-A74 PolarHBondContact O-N 3.47Å; L71-A74 HydrophobicContact CD1-CB 4.45Å; L71-A74 PolarHBondContact O-N 3.1Å; A74-L78 PolarHBondContact O-N 3.02Å; A74-L200 HydrophobicContact CB-CB 4.34Å; A74-L200 HydrophobicContact CB-CD1 4.18Å; A74-L200 HydrophobicContact CB-CD2 3.98Å; A74-L200 HydrophobicContact CB-CG 4.39Å; A74-L200 WeakPolarHBondContact O-CD1 3.34Å; A74-Y205 HydrophobicContact CB-CE1 3.99Å; A74-Y205 VanDerWaalsContact CB-OH 3.24Å; A74-Y205 WeakPolarHBondContact CB-OH 3.44Å
75K95.7Very high96.1Very high73 Ų7331.4 Ų31.432%0.31716%0.155SC..Hα-helixtrans-62.8-51.6171.5-72.1171.7-174.71700110.3L71 E72 E73 I77 L78 Q79L71-K75 WeakPolarHBondContact O-CG 3.49Å; L71-K75 PolarHBondContact O-N 3.44Å; E72-K75 PolarHBondContact O-N 3.32Å; E72-K75 IonicContact OE1-NZ 2.9Å; E72-K75 PolarHBondContact OE1-NZ 2.8Å; E72-K75 WeakPolarHBondContact OE2-CD 3.23Å; E72-K75 IonicContact OE2-NZ 3.79Å; E72-K75 PolarHBondContact OE2-NZ 3.15Å; E73-K75 VanDerWaalsContact C-N 3.3Å; E73-K75 PolarHBondContact O-N 3.01Å; K75-I77 VanDerWaalsContact C-N 3.31Å; K75-I77 PolarHBondContact O-N 3.34Å; K75-L78 WeakPolarHBondContact O-CB 3.47Å; K75-L78 PolarHBondContact O-N 3.41Å; K75-L78 VanDerWaalsContact O-N 3.09Å; K75-Q79 WeakPolarHBondContact O-CG 3.4Å; K75-Q79 PolarHBondContact O-N 2.94Å
76S95.5Very high96.1Very high1 Ų125.8 Ų25.81%0.00713%0.125CC..Hα-helixtrans-56.9-44.5-178.8-173.30000111.9E72 E73 L78 Q79 Q80 P126 S127E72-S76 PolarHBondContact O-N 3.39Å; E73-S76 PolarHBondContact O-N 3.33Å; E73-S76 VanDerWaalsContact O-N 3.14Å; S76-L78 PolarHBondContact O-N 3.47Å; S76-Q79 PolarHBondContact O-N 2.77Å; S76-Q79 VanDerWaalsContact O-N 3.14Å; S76-Q80 WeakPolarHBondContact O-CB 3.35Å; S76-Q80 VanDerWaalsContact O-CG 3.3Å; S76-Q80 WeakPolarHBondContact O-CG 3.15Å; S76-Q80 PolarHBondContact O-N 3.32Å; S76-Q80 PolarHBondContact OG-NE2 3.03Å; S76-P126 WeakPolarHBondContact CB-O 3.37Å; S76-P126 PolarHBondContact OG-O 3.16Å; S76-S127 WeakPolarHBondContact CB-O 3.43Å; S76-S127 WeakPolarHBondContact OG-CA 3.39Å; S76-S127 PolarHBondContact OG-O 3.42Å
77I97.2Very high96Very high0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-55.9-49.9175-68.7158.3000111.2L63 L68 E73 K75 Q79 Q80 M81 L130 C132 L196L63-I77 HydrophobicContact CD1-CD1 3.82Å; L63-I77 HydrophobicContact CD2-CG2 3.97Å; L68-I77 HydrophobicContact CD2-CD1 3.62Å; E73-I77 WeakPolarHBondContact O-CD1 3.47Å; E73-I77 VanDerWaalsContact O-CG1 3.3Å; E73-I77 WeakPolarHBondContact O-CG1 3.44Å; E73-I77 PolarHBondContact O-N 2.99Å; K75-I77 VanDerWaalsContact C-N 3.31Å; K75-I77 PolarHBondContact O-N 3.34Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; I77-Q80 PolarHBondContact O-N 2.83Å; I77-M81 WeakPolarHBondContact O-CG 3.43Å; I77-M81 PolarHBondContact O-N 2.88Å; I77-L130 HydrophobicContact CD1-CD1 3.99Å; I77-L130 HydrophobicContact CG1-CD1 4.12Å; I77-C132 VanDerWaalsContact CG1-SG 3.6Å; I77-L196 HydrophobicContact CG2-CD1 4.49Å; I77-L196 HydrophobicContact CG2-CD2 4.29Å
78L96.8Very high95.9Very high5 Ų516 Ų163%0.0268%0.083CC..Hα-helixtrans-58.3-46.2176.3-79.9165.7000111.6A74 K75 S76 M81 I82 I193 L196 A197 L200 L218 F221A74-L78 PolarHBondContact O-N 3.02Å; K75-L78 WeakPolarHBondContact O-CB 3.47Å; K75-L78 PolarHBondContact O-N 3.41Å; K75-L78 VanDerWaalsContact O-N 3.09Å; S76-L78 PolarHBondContact O-N 3.47Å; L78-M81 PolarHBondContact O-N 3.37Å; L78-I82 HydrophobicContact CB-CD1 4.45Å; L78-I82 WeakPolarHBondContact O-CB 3.3Å; L78-I82 WeakPolarHBondContact O-CD1 3.24Å; L78-I82 WeakPolarHBondContact O-CG1 3.22Å; L78-I82 PolarHBondContact O-N 3.11Å; L78-I193 HydrophobicContact CD2-CG2 4.3Å; L78-L196 HydrophobicContact CD2-CB 4.19Å; L78-L196 HydrophobicContact CD2-CD2 3.95Å; L78-L196 HydrophobicContact CD2-CG 3.83Å; L78-A197 HydrophobicContact CD1-CB 4.34Å; L78-A197 HydrophobicContact CD2-CB 4.08Å; L78-L200 HydrophobicContact CD1-CD1 3.85Å; L78-L200 HydrophobicContact CD2-CD1 4.15Å; L78-L200 HydrophobicContact CG-CD1 3.57Å; L78-L218 HydrophobicContact CD1-CD2 3.94Å; L78-F221 HydrophobicContact CD1-CD1 4.15Å; L78-F221 HydrophobicContact CD1-CE1 4.11Å; L78-F221 HydrophobicContact CD2-CE1 3.99Å
79Q94.5Very high95.9Very high28 Ų2816.2 Ų16.213%0.1318%0.083CC..Hα-helixtrans-65.5-45.4-177.8-61.5177.6-63.800111.2K75 S76 I77 M81 I82 F83 V125 F240K75-Q79 WeakPolarHBondContact O-CG 3.4Å; K75-Q79 PolarHBondContact O-N 2.94Å; S76-Q79 PolarHBondContact O-N 2.77Å; S76-Q79 VanDerWaalsContact O-N 3.14Å; I77-Q79 VanDerWaalsContact C-N 3.33Å; I77-Q79 PolarHBondContact O-N 2.86Å; Q79-M81 PolarHBondContact O-N 3.27Å; Q79-I82 PolarHBondContact O-N 2.82Å; Q79-F83 WeakPolarHBondContact O-CB 3.44Å; Q79-F83 WeakPolarHBondContact O-CD2 3.45Å; Q79-F83 PolarHBondContact O-N 3.44Å; Q79-V125 HydrophobicContact CB-CG1 3.48Å; Q79-V125 VanDerWaalsContact CB-CG1 3.48Å; Q79-V125 HydrophobicContact CG-CG1 4.45Å; Q79-F240 HydrophobicContact CB-CZ 4.08Å; Q79-F240 HydrophobicContact CG-CE2 3.82Å; Q79-F240 HydrophobicContact CG-CZ 3.46Å; Q79-F240 VanDerWaalsContact CG-CZ 3.46Å
80Q95.3Very high95.7Very high0 Ų018.4 Ų18.40%09%0.088CC..Hα-helixtrans-58.2-46.5176.6-71.6-175.751.900111.3S76 I77 I82 F83 T84 L114 V125 L130 C132S76-Q80 WeakPolarHBondContact O-CB 3.35Å; S76-Q80 VanDerWaalsContact O-CG 3.3Å; S76-Q80 WeakPolarHBondContact O-CG 3.15Å; S76-Q80 PolarHBondContact O-N 3.32Å; S76-Q80 PolarHBondContact OG-NE2 3.03Å; I77-Q80 PolarHBondContact O-N 2.83Å; Q80-I82 PolarHBondContact O-N 2.85Å; Q80-F83 PolarHBondContact O-N 2.84Å; Q80-T84 WeakPolarHBondContact O-CB 3.35Å; Q80-T84 PolarHBondContact O-N 2.79Å; Q80-T84 PolarHBondContact O-OG1 3.05Å; Q80-L114 HydrophobicContact CG-CD1 3.58Å; Q80-L114 VanDerWaalsContact OE1-CD1 3.27Å; Q80-V125 HydrophobicContact CG-CG1 4.5Å; Q80-L130 PolarHBondContact NE2-O 3.3Å; Q80-C132 HydrophobicContact CB-CB 4.21Å
81M96.8Very high95.6Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-62.9-42.8176.5-66.1-59.693.800112.3I77 L78 Q79 L85 L99 I104 C132 M134 I193 L196I77-M81 WeakPolarHBondContact O-CG 3.43Å; I77-M81 PolarHBondContact O-N 2.88Å; L78-M81 PolarHBondContact O-N 3.37Å; Q79-M81 PolarHBondContact O-N 3.27Å; M81-L85 VanDerWaalsContact O-CB 3.3Å; M81-L85 WeakPolarHBondContact O-CB 3.33Å; M81-L85 WeakPolarHBondContact O-CD1 3.44Å; M81-L85 WeakPolarHBondContact O-CG 3.18Å; M81-L85 PolarHBondContact O-N 3Å; M81-L99 HydrophobicContact SD-CD1 4.46Å; M81-I104 HydrophobicContact CE-CG2 4.43Å; M81-I104 HydrophobicContact CG-CD1 4.13Å; M81-I104 HydrophobicContact SD-CD1 4.02Å; M81-I104 HydrophobicContact SD-CG1 3.95Å; M81-I104 HydrophobicContact SD-CG2 4.03Å; M81-C132 HydrophobicContact CE-CB 3.59Å; M81-M134 HydrophobicContact SD-CE 3.89Å; M81-I193 HydrophobicContact CB-CD1 3.76Å; M81-L196 HydrophobicContact CB-CD2 4.13Å; M81-L196 HydrophobicContact CG-CD2 3.77Å
82I96Very high95.7Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-66.2-43.7-179.7-68.9159.3000111.9L78 Q79 Q80 L85 A86 I193 F221 W228 C231 F234 V235L78-I82 HydrophobicContact CB-CD1 4.45Å; L78-I82 WeakPolarHBondContact O-CB 3.3Å; L78-I82 WeakPolarHBondContact O-CD1 3.24Å; L78-I82 WeakPolarHBondContact O-CG1 3.22Å; L78-I82 PolarHBondContact O-N 3.11Å; Q79-I82 PolarHBondContact O-N 2.82Å; Q80-I82 PolarHBondContact O-N 2.85Å; I82-L85 PolarHBondContact O-N 3.43Å; I82-A86 WeakPolarHBondContact O-CB 3.38Å; I82-A86 PolarHBondContact O-N 3.32Å; I82-I193 HydrophobicContact CD1-CG2 3.9Å; I82-I193 HydrophobicContact CG1-CD1 3.7Å; I82-I193 HydrophobicContact CG1-CG1 3.86Å; I82-I193 HydrophobicContact CG1-CG2 3.85Å; I82-F221 HydrophobicContact CD1-CE1 4.42Å; I82-F221 HydrophobicContact CD1-CE2 4.4Å; I82-F221 HydrophobicContact CD1-CZ 3.57Å; I82-W228 HydrophobicContact CD1-CZ3 4.38Å; I82-C231 HydrophobicContact CG2-CB 4.18Å; I82-F234 HydrophobicContact CD1-CD1 4.39Å; I82-F234 HydrophobicContact CD1-CE1 4.01Å; I82-F234 HydrophobicContact CG2-CD1 3.49Å; I82-F234 VanDerWaalsContact CG2-CD1 3.49Å; I82-F234 HydrophobicContact CG2-CE1 3.98Å; I82-F234 HydrophobicContact CG2-CG 4.41Å; I82-V235 HydrophobicContact CG2-CG2 4.14Å
83F94.5Very high95.8Very high1 Ų119.7 Ų19.70%0.00410%0.096CC..Hα-helixtrans-71.2-40.6-178.2-84.4-113.6000111.2Q79 Q80 A86 L87 Y116 I118 L123 V125 V235 F240 T244Q79-F83 WeakPolarHBondContact O-CB 3.44Å; Q79-F83 WeakPolarHBondContact O-CD2 3.45Å; Q79-F83 PolarHBondContact O-N 3.44Å; Q80-F83 PolarHBondContact O-N 2.84Å; F83-A86 PolarHBondContact O-N 3.45Å; F83-L87 WeakPolarHBondContact O-CB 3.47Å; F83-L87 PolarHBondContact O-N 3.41Å; F83-Y116 HydrophobicContact CB-CD1 3.75Å; F83-Y116 HydrophobicContact CB-CD2 3.92Å; F83-Y116 HydrophobicContact CB-CE1 3.72Å; F83-Y116 HydrophobicContact CB-CE2 3.91Å; F83-Y116 HydrophobicContact CB-CG 3.85Å; F83-Y116 AromaticContact CD1-CD2 3.87Å; F83-Y116 HydrophobicContact CD1-CD2 3.87Å; F83-Y116 HydrophobicContact CD1-CE2 4.48Å; F83-Y116 AromaticContact CD1-CG 3.99Å; F83-Y116 HydrophobicContact CD1-CG 3.99Å; F83-Y116 HydrophobicContact CG-CD2 4.24Å; F83-Y116 HydrophobicContact CG-CE2 4.44Å; F83-Y116 HydrophobicContact CG-CG 4.39Å; F83-I118 HydrophobicContact CD1-CD1 4.35Å; F83-L123 HydrophobicContact CD1-CB 4.33Å; F83-L123 HydrophobicContact CD1-CD1 4.35Å; F83-L123 HydrophobicContact CE1-CB 3.79Å; F83-L123 HydrophobicContact CE1-CD1 3.81Å; F83-L123 HydrophobicContact CE1-CG 4.36Å; F83-V125 HydrophobicContact CB-CG2 4.42Å; F83-V125 HydrophobicContact CD1-CG2 3.65Å; F83-V125 HydrophobicContact CD2-CG2 3.89Å; F83-V125 HydrophobicContact CE1-CG2 3.81Å; F83-V125 HydrophobicContact CE2-CG2 4.06Å; F83-V125 HydrophobicContact CG-CG2 3.69Å; F83-V125 HydrophobicContact CZ-CG2 4.03Å; F83-V235 HydrophobicContact CD1-CG1 4.45Å; F83-V235 HydrophobicContact CD1-CG2 4.46Å; F83-V235 HydrophobicContact CD2-CG2 4.03Å; F83-V235 HydrophobicContact CE1-CG1 3.87Å; F83-V235 HydrophobicContact CE1-CG2 4.33Å; F83-V235 HydrophobicContact CE2-CG2 3.88Å; F83-V235 HydrophobicContact CG-CG2 4.31Å; F83-V235 HydrophobicContact CZ-CB 4.48Å; F83-V235 HydrophobicContact CZ-CG1 3.95Å; F83-V235 HydrophobicContact CZ-CG2 4.03Å; F83-F240 HydrophobicContact CD2-CE1 4.43Å; F83-F240 HydrophobicContact CE2-CD1 4.03Å; F83-F240 AromaticContact CE2-CE1 3.19Å; F83-F240 HydrophobicContact CE2-CE1 3.19Å; F83-F240 AromaticContact CE2-CZ 3.53Å; F83-F240 HydrophobicContact CE2-CZ 3.53Å; F83-F240 AromaticContact CZ-CD1 3.91Å; F83-F240 HydrophobicContact CZ-CD1 3.91Å; F83-F240 AromaticContact CZ-CE1 3.32Å; F83-F240 HydrophobicContact CZ-CE1 3.32Å; F83-F240 HydrophobicContact CZ-CZ 4.14Å; F83-T244 HydrophobicContact CE1-CG2 4.16Å; F83-T244 HydrophobicContact CZ-CG2 4.04Å
84T95.3Very high95.8Very high1 Ų119 Ų191%0.0069%0.092CC..Hα-helixtrans-56.4-52.1169.4-73.30000111.4I6 Q80 A86 L87 L88 M134I6-T84 HydrophobicContact CB-CG2 4.4Å; I6-T84 HydrophobicContact CG1-CG2 4.41Å; I6-T84 HydrophobicContact CG2-CG2 3.34Å; Q80-T84 WeakPolarHBondContact O-CB 3.35Å; Q80-T84 PolarHBondContact O-N 2.79Å; Q80-T84 PolarHBondContact O-OG1 3.05Å; T84-A86 PolarHBondContact O-N 3.14Å; T84-L87 PolarHBondContact O-N 2.89Å; T84-L88 HydrophobicContact CG2-CD1 3.88Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.44Å; T84-L88 PolarHBondContact O-N 3.16Å; T84-M134 HydrophobicContact CG2-CE 4.03Å
85L96.7Very high95.8Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-64.4-41179.9-72165000111.7M81 I82 L87 L88 E89 F94 H96 L99 M134 N189 I193 C231M81-L85 VanDerWaalsContact O-CB 3.3Å; M81-L85 WeakPolarHBondContact O-CB 3.33Å; M81-L85 WeakPolarHBondContact O-CD1 3.44Å; M81-L85 WeakPolarHBondContact O-CG 3.18Å; M81-L85 PolarHBondContact O-N 3Å; I82-L85 PolarHBondContact O-N 3.43Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.09Å; L85-L88 PolarHBondContact O-N 2.78Å; L85-E89 VanDerWaalsContact O-CB 3.3Å; L85-E89 WeakPolarHBondContact O-CB 3.45Å; L85-E89 WeakPolarHBondContact O-CG 3.48Å; L85-E89 PolarHBondContact O-N 3.26Å; L85-F94 HydrophobicContact CD2-CD1 4.13Å; L85-F94 HydrophobicContact CD2-CE1 4.02Å; L85-H96 HydrophobicContact CD2-CB 4.5Å; L85-L99 HydrophobicContact CD1-CD2 3.79Å; L85-M134 HydrophobicContact CD1-CE 4.19Å; L85-M134 HydrophobicContact CD2-CE 3.6Å; L85-M134 HydrophobicContact CD2-SD 3.96Å; L85-M134 HydrophobicContact CG-CE 3.69Å; L85-N189 HydrophobicContact CD1-CB 4.11Å; L85-N189 HydrophobicContact CD2-CB 4.24Å; L85-I193 HydrophobicContact CD1-CD1 3.79Å; L85-I193 HydrophobicContact CD1-CG1 4.01Å; L85-C231 HydrophobicContact CB-CB 4Å
86A95.2Very high95.9Very high0 Ų015.6 Ų15.60%08%0.077CC..Hα-helixtrans-60.2-43.1176.200000112I82 F83 T84 K90 I118 C231 V235I82-A86 WeakPolarHBondContact O-CB 3.38Å; I82-A86 PolarHBondContact O-N 3.32Å; F83-A86 PolarHBondContact O-N 3.45Å; T84-A86 PolarHBondContact O-N 3.14Å; A86-K90 VanDerWaalsContact O-CG 3.28Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 3.28Å; A86-I118 HydrophobicContact CB-CD1 3.94Å; A86-C231 HydrophobicContact CB-CB 4.17Å; A86-V235 HydrophobicContact CB-CB 4.5Å; A86-V235 HydrophobicContact CB-CG2 3.67Å
87L94.1Very high95.9Very high6 Ų615.5 Ų15.53%0.0318%0.077CC..Hα-helixtrans-61.4-46.9175-175.5152000110.8M1 F3 I6 F83 T84 L85 K90 A91 I118M1-L87 HydrophobicContact CG-CD1 4.5Å; M1-L87 HydrophobicContact CG-CD2 4.31Å; M1-L87 HydrophobicContact SD-CD2 3.77Å; M1-L87 HydrophobicContact SD-CG 4.3Å; F3-L87 HydrophobicContact CD1-CD2 4.02Å; F3-L87 HydrophobicContact CE1-CD2 3.46Å; F3-L87 VanDerWaalsContact CE1-CD2 3.46Å; F3-L87 HydrophobicContact CZ-CD2 4.29Å; I6-L87 HydrophobicContact CD1-CD1 3.95Å; I6-L87 HydrophobicContact CD1-CD2 4.02Å; I6-L87 HydrophobicContact CD1-CG 4.43Å; F83-L87 WeakPolarHBondContact O-CB 3.47Å; F83-L87 PolarHBondContact O-N 3.41Å; T84-L87 PolarHBondContact O-N 2.89Å; L85-L87 VanDerWaalsContact C-N 3.33Å; L85-L87 PolarHBondContact O-N 3.09Å; L87-K90 PolarHBondContact O-N 2.9Å; L87-A91 VanDerWaalsContact O-CB 3.28Å; L87-A91 WeakPolarHBondContact O-CB 3.47Å; L87-A91 PolarHBondContact O-N 2.94Å; L87-I118 HydrophobicContact CB-CD1 4.18Å; L87-I118 HydrophobicContact CB-CG1 3.99Å; L87-I118 HydrophobicContact CD1-CG1 4.42Å; L87-I118 HydrophobicContact CG-CG1 4.45Å
88L95.5Very high95.8Very high0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-71.5-34.6-178.4-64.7170.9000113.2F3 I6 F7 T84 L85 K90 L92 K93 F94F3-L88 HydrophobicContact CD1-CD2 4.31Å; F3-L88 HydrophobicContact CE1-CD2 3.78Å; I6-L88 HydrophobicContact CG2-CD1 4.39Å; F7-L88 HydrophobicContact CE1-CD1 4.21Å; F7-L88 HydrophobicContact CE2-CD1 4.46Å; F7-L88 HydrophobicContact CE2-CD2 3.77Å; F7-L88 HydrophobicContact CZ-CD1 3.61Å; F7-L88 HydrophobicContact CZ-CD2 3.57Å; F7-L88 HydrophobicContact CZ-CG 4.22Å; T84-L88 HydrophobicContact CG2-CD1 3.88Å; T84-L88 VanDerWaalsContact O-CG 3.29Å; T84-L88 WeakPolarHBondContact O-CG 3.44Å; T84-L88 PolarHBondContact O-N 3.16Å; L85-L88 PolarHBondContact O-N 2.78Å; L88-K90 VanDerWaalsContact C-N 3.27Å; L88-K90 PolarHBondContact O-N 2.93Å; L88-L92 HydrophobicContact CD2-CD1 4.29Å; L88-L92 CarbonylContact O-C 3.51Å; L88-L92 WeakPolarHBondContact O-CA 3.46Å; L88-L92 PolarHBondContact O-N 2.92Å; L88-K93 PolarHBondContact O-N 2.86Å; L88-F94 HydrophobicContact CB-CB 3.52Å; L88-F94 HydrophobicContact CB-CD1 3.75Å; L88-F94 HydrophobicContact CB-CG 3.77Å; L88-F94 HydrophobicContact CD1-CD1 3.8Å; L88-F94 HydrophobicContact CD1-CE1 3.94Å; L88-F94 HydrophobicContact CD1-CG 4.26Å; L88-F94 HydrophobicContact CG-CD1 4.42Å; L88-F94 VanDerWaalsContact O-CB 3.3Å; L88-F94 WeakPolarHBondContact O-CB 3.44Å; L88-F94 PolarHBondContact O-N 2.86Å
89E96.4Very high95.8Very high7 Ų716.1 Ų16.13%0.0338%0.08CC..Hα-helixtrans-57.1-43.3170.9-78.8168.2-176.700110.6L85 K93 F184 P186 N189 A230 C231 S232L85-E89 VanDerWaalsContact O-CB 3.3Å; L85-E89 WeakPolarHBondContact O-CB 3.45Å; L85-E89 WeakPolarHBondContact O-CG 3.48Å; L85-E89 PolarHBondContact O-N 3.26Å; E89-K93 WeakPolarHBondContact O-CA 3.42Å; E89-K93 PolarHBondContact O-N 3.43Å; E89-F184 HydrophobicContact CB-CZ 4.35Å; E89-F184 HydrophobicContact CG-CZ 4.32Å; E89-P186 HydrophobicContact CG-CB 4.05Å; E89-N189 WeakPolarHBondContact CG-ND2 3.38Å; E89-N189 PolarHBondContact OE1-ND2 3.1Å; E89-A230 WeakPolarHBondContact OE2-CB 3.33Å; E89-C231 WeakPolarHBondContact OE1-CB 3.23Å; E89-C231 PolarHBondContact OE1-N 2.81Å; E89-C231 PolarHBondContact OE1-SG 3.05Å; E89-C231 PolarHBondContact OE2-N 2.72Å; E89-S232 PolarHBondContact OE2-N 2.66Å; E89-S232 PolarHBondContact OE2-OG 3.28Å
90K94.4Very high95.8Very high102 Ų10215.8 Ų15.844%0.4438%0.079SC..Hα-helixtrans-75.4-43-179.6-68.7-67.9-175148.80112.8A86 L87 L88 I118 D119A86-K90 VanDerWaalsContact O-CG 3.28Å; A86-K90 WeakPolarHBondContact O-CG 3.38Å; A86-K90 PolarHBondContact O-N 3.28Å; L87-K90 PolarHBondContact O-N 2.9Å; L88-K90 VanDerWaalsContact C-N 3.27Å; L88-K90 PolarHBondContact O-N 2.93Å; K90-I118 HydrophobicContact CG-CG2 4.09Å; K90-D119 WeakPolarHBondContact CD-OD1 3.48Å; K90-D119 WeakPolarHBondContact CD-OD2 3.31Å; K90-D119 WeakPolarHBondContact CE-OD2 3.47Å; K90-D119 IonicContact NZ-OD2 3.54Å; K90-D119 PolarHBondContact NZ-OD2 2.93Å
91A93.7Very high95.9Very high35 Ų3516.1 Ų16.129%0.2898%0.081SC..Hα-helixtrans-74.3-38.7-176.700000113.2M1 F3 L87M1-A91 HydrophobicContact CE-CB 3.63Å; M1-A91 HydrophobicContact SD-CB 3.46Å; M1-A91 WeakPolarHBondContact SD-CB 3.4Å; F3-A91 HydrophobicContact CZ-CB 4.47Å; L87-A91 VanDerWaalsContact O-CB 3.28Å; L87-A91 WeakPolarHBondContact O-CB 3.47Å; L87-A91 PolarHBondContact O-N 2.94Å
92L96.3Very high95.7Very high47 Ų4717.9 Ų17.925%0.2469%0.093CC..Hα-helixtrans-137.58.1-164.4-61.9174.3000113.5L88 F94 L142 Q143 I144L88-L92 HydrophobicContact CD2-CD1 4.29Å; L88-L92 CarbonylContact O-C 3.51Å; L88-L92 WeakPolarHBondContact O-CA 3.46Å; L88-L92 PolarHBondContact O-N 2.92Å; L92-F94 HydrophobicContact CB-CB 4.36Å; L92-F94 PolarHBondContact O-N 2.77Å; L92-F94 VanDerWaalsContact O-N 3.17Å; L92-L142 HydrophobicContact CB-CB 4.36Å; L92-L142 CarbonylContact O-C 3.54Å; L92-L142 WeakPolarHBondContact O-CA 3.45Å; L92-Q143 PolarHBondContact O-N 3.19Å; L92-I144 HydrophobicContact CD2-CG1 4.27Å
93K96.9Very high95.7Very high89 Ų8918.6 Ų18.639%0.38710%0.097SC..  trans48.144.5-170.4-66.8171.1-177.91710110.9L88 E89 R141 Q143 F184L88-K93 PolarHBondContact O-N 2.86Å; E89-K93 WeakPolarHBondContact O-CA 3.42Å; E89-K93 PolarHBondContact O-N 3.43Å; K93-R141 VanDerWaalsContact CB-NH1 3.26Å; K93-R141 PolarHBondContact O-NH1 3.13Å; K93-Q143 HydrophobicContact CB-CB 4.38Å; K93-Q143 HydrophobicContact CD-CB 4.38Å; K93-Q143 VanDerWaalsContact CD-OE1 3.26Å; K93-Q143 VanDerWaalsContact NZ-OE1 3.15Å; K93-F184 HydrophobicContact CB-CB 4.31Å; K93-F184 HydrophobicContact CB-CD1 3.8Å; K93-F184 HydrophobicContact CB-CD2 3.89Å; K93-F184 HydrophobicContact CB-CE1 3.96Å; K93-F184 HydrophobicContact CB-CE2 4.07Å; K93-F184 HydrophobicContact CB-CG 3.74Å; K93-F184 HydrophobicContact CB-CZ 4.08Å; K93-F184 HydrophobicContact CD-CD1 4.3Å; K93-F184 HydrophobicContact CG-CD1 3.88Å; K93-F184 HydrophobicContact CG-CE1 3.99Å; K93-F184 HydrophobicContact CG-CG 4.3Å; K93-F184 WeakPolarHBondContact O-CD2 3.3Å; K93-F184 WeakPolarHBondContact O-CE2 3.23Å
94F97.7Very high95.9Very high4 Ų418.5 Ų18.52%0.01810%0.096CC..  trans-77.3141.7-169179.7-98.7000113L85 L88 L92 H96 M134 F137 R141 L142 N189L85-F94 HydrophobicContact CD2-CD1 4.13Å; L85-F94 HydrophobicContact CD2-CE1 4.02Å; L88-F94 HydrophobicContact CB-CB 3.52Å; L88-F94 HydrophobicContact CB-CD1 3.75Å; L88-F94 HydrophobicContact CB-CG 3.77Å; L88-F94 HydrophobicContact CD1-CD1 3.8Å; L88-F94 HydrophobicContact CD1-CE1 3.94Å; L88-F94 HydrophobicContact CD1-CG 4.26Å; L88-F94 HydrophobicContact CG-CD1 4.42Å; L88-F94 VanDerWaalsContact O-CB 3.3Å; L88-F94 WeakPolarHBondContact O-CB 3.44Å; L88-F94 PolarHBondContact O-N 2.86Å; L92-F94 HydrophobicContact CB-CB 4.36Å; L92-F94 PolarHBondContact O-N 2.77Å; L92-F94 VanDerWaalsContact O-N 3.17Å; F94-H96 HydrophobicContact CE1-CB 3.83Å; F94-H96 HydrophobicContact CZ-CB 4.1Å; F94-H96 AromaticContact CZ-CD2 3.88Å; F94-M134 HydrophobicContact CE1-SD 4.02Å; F94-M134 HydrophobicContact CZ-SD 4.46Å; F94-F137 HydrophobicContact CE2-CD1 4.15Å; F94-F137 AromaticContact CZ-CD1 3.82Å; F94-F137 HydrophobicContact CZ-CD1 3.82Å; F94-F137 HydrophobicContact CZ-CE1 4.08Å; F94-R141 CarbonylContact C-O 3.58Å; F94-R141 WeakPolarHBondContact CA-O 3.44Å; F94-L142 HydrophobicContact CD2-CB 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.38Å; F94-N189 PolarHBondContact O-ND2 3.36Å
95E98Very high95.9Very high0 Ų019.9 Ų19.90%010%0.104CC..BIsolated β-bridgetrans-131129.1164.4-59.3174.5-124.200109.5R97 S140 R141 F184 N185 T188 N189E95-R97 HydrophobicContact CB-CG 3.81Å; E95-R97 IonicContact OE1-CZ 2.98Å; E95-R97 IonicContact OE1-NE 2.75Å; E95-R97 IonicContact OE1-NH2 3.87Å; E95-R97 PolarHBondContact OE1-NH2 3.35Å; E95-R97 IonicContact OE2-CZ 3.31Å; E95-R97 IonicContact OE2-NE 3.84Å; E95-R97 PolarHBondContact OE2-NE 3.38Å; E95-R97 IonicContact OE2-NH2 2.91Å; E95-R97 PolarHBondContact OE2-NH2 3.37Å; E95-S140 CarbonylContact O-C 3.5Å; E95-S140 VanDerWaalsContact O-CA 3.23Å; E95-S140 WeakPolarHBondContact O-CA 3.44Å; E95-S140 VanDerWaalsContact O-CB 3.3Å; E95-S140 WeakPolarHBondContact O-CB 3.38Å; E95-R141 HydrophobicContact CB-CB 4.37Å; E95-R141 PolarHBondContact N-O 3.31Å; E95-R141 PolarHBondContact O-N 3.15Å; E95-R141 WeakPolarHBondContact OE1-CD 3.28Å; E95-F184 HydrophobicContact CG-CD2 3.9Å; E95-F184 HydrophobicContact CG-CE2 3.99Å; E95-F184 WeakPolarHBondContact OE1-CA 3.42Å; E95-N185 PolarHBondContact OE1-N 2.89Å; E95-T188 WeakPolarHBondContact CG-OG1 3.41Å; E95-T188 WeakPolarHBondContact OE2-CB 3.5Å; E95-T188 VanDerWaalsContact OE2-CG2 3.24Å; E95-T188 WeakPolarHBondContact OE2-CG2 3.41Å; E95-T188 PolarHBondContact OE2-OG1 3.05Å; E95-N189 VanDerWaalsContact CA-OD1 3.31Å; E95-N189 WeakPolarHBondContact CA-OD1 3.5Å
96H96.8Very high95.9Very high1 Ų120 Ų201%0.00510%0.104CC..  trans-72.7-42.3178-165.5-90.4000112.3L85 F94 D98 L99 M134 V135 D136 F137 S140 N189L85-H96 HydrophobicContact CD2-CB 4.5Å; F94-H96 HydrophobicContact CE1-CB 3.83Å; F94-H96 HydrophobicContact CZ-CB 4.1Å; F94-H96 AromaticContact CZ-CD2 3.88Å; H96-D98 PolarHBondContact CE1-O 3.09Å; H96-D98 PolarHBondContact ND1-N 3.02Å; H96-D98 PolarHBondContact ND1-O 3.06Å; H96-D98 PolarHBondContact O-N 3.44Å; H96-L99 HydrophobicContact CB-CB 4.08Å; H96-L99 WeakPolarHBondContact ND1-CA 3.44Å; H96-L99 PolarHBondContact ND1-N 2.9Å; H96-L99 VanDerWaalsContact ND1-N 3.12Å; H96-M134 HydrophobicContact CB-SD 4.15Å; H96-M134 WeakPolarHBondContact CD2-CG 3.49Å; H96-M134 PolarHBondContact CD2-SD 2.84Å; H96-M134 VanDerWaalsContact NE2-CG 3.32Å; H96-M134 WeakPolarHBondContact NE2-CG 3.34Å; H96-V135 PolarHBondContact CE1-O 2.95Å; H96-V135 VanDerWaalsContact CE1-O 3.28Å; H96-V135 PolarHBondContact NE2-O 3.23Å; H96-D136 PolarHBondContact CE1-O 3.36Å; H96-D136 PolarHBondContact NE2-O 3.21Å; H96-D136 VanDerWaalsContact NE2-O 3.15Å; H96-F137 AromaticContact CD2-CD1 3.84Å; H96-F137 AromaticContact CD2-CE1 3.78Å; H96-F137 AromaticContact NE2-CD1 3.86Å; H96-F137 AromaticContact NE2-CE1 3.78Å; H96-S140 WeakPolarHBondContact CA-OG 3.32Å; H96-S140 WeakPolarHBondContact O-CA 3.2Å; H96-S140 PolarHBondContact O-OG 3.04Å; H96-N189 PolarHBondContact N-OD1 3.43Å
97R95.8Very high96Very high0 Ų024.2 Ų24.20%012%0.12CC..SBendtrans60.4-4.8-178.2-59178.8172.1177.12.7116.5E95 L139 M174 W181 T183 W192E95-R97 HydrophobicContact CB-CG 3.81Å; E95-R97 IonicContact OE1-CZ 2.98Å; E95-R97 IonicContact OE1-NE 2.75Å; E95-R97 IonicContact OE1-NH2 3.87Å; E95-R97 PolarHBondContact OE1-NH2 3.35Å; E95-R97 IonicContact OE2-CZ 3.31Å; E95-R97 IonicContact OE2-NE 3.84Å; E95-R97 PolarHBondContact OE2-NE 3.38Å; E95-R97 IonicContact OE2-NH2 2.91Å; E95-R97 PolarHBondContact OE2-NH2 3.37Å; R97-L139 HydrophobicContact CB-CB 4.39Å; R97-L139 WeakPolarHBondContact CB-O 3.43Å; R97-L139 VanDerWaalsContact CD-O 3.25Å; R97-L139 WeakPolarHBondContact CD-O 3.37Å; R97-M174 HydrophobicContact CB-SD 4.31Å; R97-M174 HydrophobicContact CG-SD 4.46Å; R97-M174 VanDerWaalsContact O-CE 3.25Å; R97-M174 WeakPolarHBondContact O-CE 3.18Å; R97-W181 PolarHBondContact NH1-O 3.45Å; R97-W181 PolarHBondContact NH2-O 2.94Å; R97-T183 PolarHBondContact NH2-O 3.02Å; R97-W192 VanDerWaalsContact O-CZ2 3.28Å; R97-W192 WeakPolarHBondContact O-CZ2 3.37Å; R97-W192 PolarHBondContact O-NE1 3.46Å
98D95.5Very high96Very high16 Ų1626.9 Ų26.99%0.08615%0.149CC..  trans-142.941.7174.1-155.520.8000115H96 H100 N103 L139 Y171H96-D98 PolarHBondContact CE1-O 3.09Å; H96-D98 PolarHBondContact ND1-N 3.02Å; H96-D98 PolarHBondContact ND1-O 3.06Å; H96-D98 PolarHBondContact O-N 3.44Å; D98-H100 PolarHBondContact O-CD2 2.9Å; D98-H100 VanDerWaalsContact O-CD2 3.31Å; D98-H100 PolarHBondContact O-N 3.22Å; D98-H100 IonicContact OD1-CD2 2.77Å; D98-H100 PolarHBondContact OD1-CD2 2.79Å; D98-H100 IonicContact OD2-CD2 3.47Å; D98-H100 IonicContact OD2-NE2 3.56Å; D98-N103 PolarHBondContact O-ND2 2.83Å; D98-L139 HydrophobicContact CB-CB 4.2Å; D98-L139 HydrophobicContact CB-CD1 4.04Å; D98-L139 HydrophobicContact CB-CG 4.42Å; D98-Y171 WeakPolarHBondContact OD1-CE1 3.36Å; D98-Y171 VanDerWaalsContact OD1-CZ 3.32Å; D98-Y171 PolarHBondContact OD1-OH 3.16Å
99L96.6Very high96Very high1 Ų128.7 Ų28.71%0.00516%0.16CC..  trans-84.954.8-171.3-169.368.1000112.2M81 L85 H96 I104 M134 W192M81-L99 HydrophobicContact SD-CD1 4.46Å; L85-L99 HydrophobicContact CD1-CD2 3.79Å; H96-L99 HydrophobicContact CB-CB 4.08Å; H96-L99 WeakPolarHBondContact ND1-CA 3.44Å; H96-L99 PolarHBondContact ND1-N 2.9Å; H96-L99 VanDerWaalsContact ND1-N 3.12Å; L99-I104 HydrophobicContact CD1-CD1 4.31Å; L99-I104 HydrophobicContact CD1-CG1 3.83Å; L99-I104 HydrophobicContact CG-CD1 4.21Å; L99-I104 HydrophobicContact CG-CG1 4.26Å; L99-M134 HydrophobicContact CD1-CE 3.54Å; L99-M134 HydrophobicContact CD1-CG 3.57Å; L99-M134 HydrophobicContact CD1-SD 3.86Å; L99-M134 HydrophobicContact CD2-CE 3.6Å; L99-M134 HydrophobicContact CG-CE 4.23Å; L99-W192 HydrophobicContact CB-CB 3.84Å; L99-W192 HydrophobicContact CB-CD2 4.02Å; L99-W192 HydrophobicContact CB-CE3 4.33Å; L99-W192 HydrophobicContact CB-CG 3.8Å; L99-W192 HydrophobicContact CD2-CB 4.32Å
100H95.4Very high95.9Very high22 Ų2238 Ų3810%0.10220%0.2CC..  trans-77.2169171.166.798.8000111.3D98 S102 N103 Q167 W192 Y195D98-H100 PolarHBondContact O-CD2 2.9Å; D98-H100 VanDerWaalsContact O-CD2 3.31Å; D98-H100 PolarHBondContact O-N 3.22Å; D98-H100 IonicContact OD1-CD2 2.77Å; D98-H100 PolarHBondContact OD1-CD2 2.79Å; D98-H100 IonicContact OD2-CD2 3.47Å; D98-H100 IonicContact OD2-NE2 3.56Å; H100-S102 VanDerWaalsContact CE1-CB 3.43Å; H100-S102 WeakPolarHBondContact CE1-CB 3.15Å; H100-S102 WeakPolarHBondContact ND1-CB 3.16Å; H100-S102 PolarHBondContact ND1-N 2.84Å; H100-S102 PolarHBondContact ND1-OG 2.8Å; H100-S102 PolarHBondContact O-N 3.24Å; H100-S102 VanDerWaalsContact O-N 3.13Å; H100-N103 PolarHBondContact CD2-ND2 3.3Å; H100-N103 PolarHBondContact NE2-ND2 2.95Å; H100-N103 VanDerWaalsContact NE2-ND2 3.11Å; H100-N103 PolarHBondContact O-N 3.23Å; H100-Q167 HydrophobicContact CB-CB 4.05Å; H100-Q167 VanDerWaalsContact CG-OE1 3.3Å; H100-Q167 PolarHBondContact ND1-OE1 3.25Å; H100-W192 HydrophobicContact CB-CH2 4.34Å; H100-W192 HydrophobicContact CB-CZ3 3.84Å; H100-Y195 HydrophobicContact CB-CE1 4.2Å
101V96.5Very high95.9Very high6 Ų636.7 Ų36.74%0.03620%0.2CC..G310 helixtrans-67.3-15.1-171.5-65.90000114.9L63 E64 Y195 L196 F199L63-V101 HydrophobicContact CB-CB 4.25Å; L63-V101 WeakPolarHBondContact CB-O 3.37Å; L63-V101 HydrophobicContact CD2-CB 4.38Å; L63-V101 HydrophobicContact CD2-CG1 4Å; L63-V101 HydrophobicContact CG-CB 4.32Å; L63-V101 HydrophobicContact CG-CG1 4.34Å; L63-V101 PolarHBondContact N-O 2.69Å; L63-V101 VanDerWaalsContact N-O 3.15Å; E64-V101 HydrophobicContact CB-CB 4.41Å; E64-V101 HydrophobicContact CB-CG2 3.83Å; E64-V101 HydrophobicContact CG-CG2 4.23Å; E64-V101 PolarHBondContact N-O 2.68Å; V101-Y195 HydrophobicContact CG1-CE1 4Å; V101-L196 HydrophobicContact CG1-CD1 4.24Å; V101-F199 HydrophobicContact CB-CD2 4.47Å; V101-F199 HydrophobicContact CB-CE1 4.41Å; V101-F199 HydrophobicContact CB-CE2 4.25Å; V101-F199 HydrophobicContact CB-CZ 4.21Å; V101-F199 HydrophobicContact CG1-CB 4.15Å; V101-F199 HydrophobicContact CG1-CD1 3.55Å; V101-F199 HydrophobicContact CG1-CD2 3.71Å; V101-F199 HydrophobicContact CG1-CE1 3.77Å; V101-F199 HydrophobicContact CG1-CE2 3.91Å; V101-F199 HydrophobicContact CG1-CG 3.51Å; V101-F199 HydrophobicContact CG1-CZ 3.94Å; V101-F199 HydrophobicContact CG2-CD2 4.15Å; V101-F199 HydrophobicContact CG2-CE2 3.82Å; V101-F199 HydrophobicContact CG2-CZ 4.19Å
102S93.6Very high95.9Very high37 Ų3740.8 Ų40.826%0.25922%0.217SC..G310 helixtrans-81-21.8173.4-29.10000111.6E64 H100 I104E64-S102 PolarHBondContact OE2-OG 2.94Å; H100-S102 VanDerWaalsContact CE1-CB 3.43Å; H100-S102 WeakPolarHBondContact CE1-CB 3.15Å; H100-S102 WeakPolarHBondContact ND1-CB 3.16Å; H100-S102 PolarHBondContact ND1-N 2.84Å; H100-S102 PolarHBondContact ND1-OG 2.8Å; H100-S102 PolarHBondContact O-N 3.24Å; H100-S102 VanDerWaalsContact O-N 3.13Å; S102-I104 VanDerWaalsContact C-N 3.34Å
103N95.8Very high95.8Very high15 Ų1545.1 Ų45.18%0.0823%0.232CC..G310 helixtrans-92.713.6175.4-74.5-10.9000113.9D98 H100 V135 D136D98-N103 PolarHBondContact O-ND2 2.83Å; H100-N103 PolarHBondContact CD2-ND2 3.3Å; H100-N103 PolarHBondContact NE2-ND2 2.95Å; H100-N103 VanDerWaalsContact NE2-ND2 3.11Å; H100-N103 PolarHBondContact O-N 3.23Å; N103-V135 HydrophobicContact CB-CG2 4.45Å; N103-V135 WeakPolarHBondContact CB-O 3.3Å; N103-V135 PolarHBondContact O-N 3.22Å; N103-V135 VanDerWaalsContact O-N 3.08Å; N103-D136 WeakPolarHBondContact OD1-CB 3.36Å
104I97Very high95.6Very high0 Ų041.2 Ų41.20%022%0.215CC..EExtended strand (participates in β ladder)trans-119.8112.6170.7-58.5171.4000107.5S62 L63 M81 L99 S102 V106 C132 C133 L196S62-I104 CarbonylContact C-O 3.59Å; S62-I104 WeakPolarHBondContact CA-O 3.46Å; L63-I104 HydrophobicContact CB-CB 4.07Å; L63-I104 HydrophobicContact CB-CG2 4.22Å; L63-I104 HydrophobicContact CD2-CB 4.42Å; L63-I104 HydrophobicContact CD2-CD1 4.15Å; L63-I104 HydrophobicContact CD2-CG2 4.32Å; L63-I104 PolarHBondContact N-O 3.29Å; M81-I104 HydrophobicContact CE-CG2 4.43Å; M81-I104 HydrophobicContact CG-CD1 4.13Å; M81-I104 HydrophobicContact SD-CD1 4.02Å; M81-I104 HydrophobicContact SD-CG1 3.95Å; M81-I104 HydrophobicContact SD-CG2 4.03Å; L99-I104 HydrophobicContact CD1-CD1 4.31Å; L99-I104 HydrophobicContact CD1-CG1 3.83Å; L99-I104 HydrophobicContact CG-CD1 4.21Å; L99-I104 HydrophobicContact CG-CG1 4.26Å; S102-I104 VanDerWaalsContact C-N 3.34Å; I104-V106 HydrophobicContact CG2-CG2 4.32Å; I104-C132 HydrophobicContact CG2-CB 4.46Å; I104-C133 WeakPolarHBondContact CA-O 3.47Å; I104-L196 HydrophobicContact CD1-CD1 3.93Å; I104-L196 HydrophobicContact CD1-CD2 3.91Å
105L96.8Very high95.3Very high30 Ų3046 Ų4616%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-90.9140.9173.9-55.7-177.2000110.2L8 G59 V61 C132 C133 V135L8-L105 HydrophobicContact CD1-CD1 3.94Å; L8-L105 HydrophobicContact CD2-CD1 4.49Å; G59-L105 WeakPolarHBondContact O-CB 3.1Å; V61-L105 CarbonylContact O-C 3.54Å; V61-L105 WeakPolarHBondContact O-CA 3.17Å; L105-C132 CarbonylContact O-C 3.56Å; L105-C132 VanDerWaalsContact O-CA 3.24Å; L105-C132 WeakPolarHBondContact O-CA 2.91Å; L105-C133 HydrophobicContact CB-CB 4.36Å; L105-C133 PolarHBondContact N-O 3.15Å; L105-C133 PolarHBondContact O-N 3.24Å; L105-V135 HydrophobicContact CD1-CG1 3.71Å; L105-V135 HydrophobicContact CD1-CG2 4.39Å; L105-V135 HydrophobicContact CD2-CG2 4.47Å; L105-V135 HydrophobicContact CG-CG1 3.99Å; L105-V135 HydrophobicContact CG-CG2 4.04Å
106V96.9Very high95Very high2 Ų246.3 Ų46.31%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-129.7129.8-178.5-173.50000109.8V61 L63 F66 I104 L130V61-V106 PolarHBondContact N-O 2.99Å; V61-V106 VanDerWaalsContact N-O 3.07Å; V61-V106 PolarHBondContact O-N 2.96Å; L63-V106 HydrophobicContact CB-CG2 4.05Å; L63-V106 HydrophobicContact CD1-CG2 4.07Å; F66-V106 HydrophobicContact CB-CB 4.43Å; F66-V106 HydrophobicContact CD1-CG1 4.23Å; F66-V106 HydrophobicContact CD2-CB 3.81Å; F66-V106 HydrophobicContact CD2-CG1 3.69Å; F66-V106 HydrophobicContact CE1-CG1 4.19Å; F66-V106 HydrophobicContact CE2-CB 4.26Å; F66-V106 HydrophobicContact CE2-CG1 3.65Å; F66-V106 HydrophobicContact CG-CB 4.04Å; F66-V106 HydrophobicContact CG-CG1 4Å; F66-V106 HydrophobicContact CZ-CG1 3.92Å; I104-V106 HydrophobicContact CG2-CG2 4.32Å; V106-L130 HydrophobicContact CG1-CB 4.31Å; V106-L130 HydrophobicContact CG1-CD1 4.11Å; V106-L130 HydrophobicContact CG1-CD2 4.19Å; V106-L130 HydrophobicContact CG1-CG 4.45Å
107R95.6Very high94.6Very high89 Ų8949.4 Ų49.434%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-133.8159.1171.263.7-177.8-175.1178.50111.6N58 L130 L131N58-R107 PolarHBondContact O-NH1 2.87Å; R107-L130 CarbonylContact O-C 3.59Å; R107-L130 WeakPolarHBondContact O-CA 3.42Å; R107-L131 HydrophobicContact CG-CB 4.14Å; R107-L131 PolarHBondContact N-O 3.06Å; R107-L131 PolarHBondContact O-N 2.96Å
108G95.4Very high94.3Very high61 Ų6149.9 Ų49.963%0.62926%0.257SS*.EExtended strand (participates in β ladder)trans-68.7147.317100000111.7G129G108-G129 CarbonylContact C-O 3.54Å; G108-G129 WeakPolarHBondContact CA-O 3.49Å
109T94.8Very high93.8Very high38 Ų3854.3 Ų54.323%0.23328%0.28CS..  trans-138.7152.6173.8-174.10000111.1V111 G129 L130 L131T109-V111 HydrophobicContact CG2-CB 4.46Å; T109-V111 PolarHBondContact OG1-N 3.43Å; T109-V111 VanDerWaalsContact OG1-N 3.14Å; T109-G129 PolarHBondContact N-O 3.49Å; T109-L130 VanDerWaalsContact CG2-C 3.47Å; T109-L131 HydrophobicContact CG2-CB 4.19Å
110K95.2Very high93.3Very high204 Ų20456 Ų5689%0.88730%0.299SS*.SBendtrans-91.8-4.9170.9-63.1-176.6179.9179.80112.6D112K110-D112 PolarHBondContact O-N 3.21Å
111V93.8Very high92.9Very high73 Ų7356.4 Ų56.444%0.44230%0.302SS..  trans-78.5118.7178.7177.90000108.3T109 Y113 L114 S127T109-V111 HydrophobicContact CG2-CB 4.46Å; T109-V111 PolarHBondContact OG1-N 3.43Å; T109-V111 VanDerWaalsContact OG1-N 3.14Å; V111-Y113 WeakPolarHBondContact CG1-O 3.46Å; V111-L114 HydrophobicContact CB-CD2 4.42Å; V111-L114 HydrophobicContact CG1-CD2 3.97Å; V111-S127 WeakPolarHBondContact O-CB 3.43Å; V111-S127 PolarHBondContact O-OG 3.16Å
112D94.1Very high92.5Very high121 Ų12160 Ų6065%0.64731%0.314SS*.SBendtrans-73.7-36.2-177.2-66.7-41.2000113.1K110 S127K110-D112 PolarHBondContact O-N 3.21Å; D112-S127 PolarHBondContact O-N 2.79Å; D112-S127 PolarHBondContact O-OG 3.27Å
113Y93.6Very high92.3Very high139 Ų13958.5 Ų58.555%0.54530%0.303SS..EExtended strand (participates in β ladder)trans-132.1131.1-177.4-64.4-89.9000110.7V111 V125 P126V111-Y113 WeakPolarHBondContact CG1-O 3.46Å; Y113-V125 CarbonylContact C-O 3.59Å; Y113-V125 WeakPolarHBondContact CA-O 3.49Å; Y113-P126 HydrophobicContact CD1-CB 4.41Å; Y113-P126 HydrophobicContact CD1-CG 4.25Å; Y113-P126 HydrophobicContact CE1-CB 4.25Å; Y113-P126 HydrophobicContact CE1-CG 3.95Å
114L92.9Very high92Very high7 Ų758.9 Ų58.94%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-96.7131.8176.9-55.7172.6000109V5 Q80 V111 Y116 T124 V125 L131V5-L114 HydrophobicContact CG1-CD2 4.02Å; Q80-L114 HydrophobicContact CG-CD1 3.58Å; Q80-L114 VanDerWaalsContact OE1-CD1 3.27Å; V111-L114 HydrophobicContact CB-CD2 4.42Å; V111-L114 HydrophobicContact CG1-CD2 3.97Å; L114-Y116 HydrophobicContact CB-CE2 3.91Å; L114-T124 CarbonylContact O-C 3.58Å; L114-T124 WeakPolarHBondContact O-CA 3.38Å; L114-V125 PolarHBondContact N-O 3.25Å; L114-V125 PolarHBondContact O-N 2.88Å; L114-L131 HydrophobicContact CD1-CD1 3.93Å; L114-L131 HydrophobicContact CD2-CD1 3.68Å; L114-L131 HydrophobicContact CG-CD1 4.48Å
115E91.8Very high91.7Very high105 Ų10558.9 Ų58.949%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-97.1138-178.9-60.8-167.612300111.5R122 L123 T124E115-R122 IonicContact OE1-CZ 3.66Å; E115-R122 IonicContact OE1-NH1 3.64Å; E115-R122 PolarHBondContact OE1-NH1 3.08Å; E115-R122 IonicContact OE2-NH1 2.8Å; E115-R122 PolarHBondContact OE2-NH1 3.37Å; E115-L123 CarbonylContact C-O 3.56Å; E115-L123 WeakPolarHBondContact CA-O 3.43Å; E115-T124 HydrophobicContact CG-CG2 4.37Å
116Y90.5Very high91.5Very high6 Ų659 Ų592%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-129.5137.3174.5-62.2-95.1000108.7I6 F83 L114 R122 L123 V125I6-Y116 HydrophobicContact CD1-CE1 4.42Å; I6-Y116 HydrophobicContact CG1-CE1 4.4Å; F83-Y116 HydrophobicContact CB-CD1 3.75Å; F83-Y116 HydrophobicContact CB-CD2 3.92Å; F83-Y116 HydrophobicContact CB-CE1 3.72Å; F83-Y116 HydrophobicContact CB-CE2 3.91Å; F83-Y116 HydrophobicContact CB-CG 3.85Å; F83-Y116 AromaticContact CD1-CD2 3.87Å; F83-Y116 HydrophobicContact CD1-CD2 3.87Å; F83-Y116 HydrophobicContact CD1-CE2 4.48Å; F83-Y116 AromaticContact CD1-CG 3.99Å; F83-Y116 HydrophobicContact CD1-CG 3.99Å; F83-Y116 HydrophobicContact CG-CD2 4.24Å; F83-Y116 HydrophobicContact CG-CE2 4.44Å; F83-Y116 HydrophobicContact CG-CG 4.39Å; L114-Y116 HydrophobicContact CB-CE2 3.91Å; Y116-R122 WeakPolarHBondContact O-CA 3.5Å; Y116-L123 PolarHBondContact N-O 2.95Å; Y116-L123 PolarHBondContact O-N 2.97Å; Y116-V125 HydrophobicContact CD2-CB 4.5Å; Y116-V125 HydrophobicContact CD2-CG2 3.97Å; Y116-V125 HydrophobicContact CE2-CB 4Å; Y116-V125 HydrophobicContact CE2-CG2 3.79Å
117I89.3Confident91.5Very high65 Ų6558.9 Ų58.933%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-112.8111.6172.1-57173.7000107.3D121I117-D121 WeakPolarHBondContact CA-O 3.45Å
118I88.5Confident91.5Very high11 Ų1156.7 Ų56.76%0.05631%0.309CS..EExtended strand (participates in β ladder)trans-128.1122-176.7-55.3178.2000107.5F83 A86 L87 K90 G120 D121 L123 V235F83-I118 HydrophobicContact CD1-CD1 4.35Å; A86-I118 HydrophobicContact CB-CD1 3.94Å; L87-I118 HydrophobicContact CB-CD1 4.18Å; L87-I118 HydrophobicContact CB-CG1 3.99Å; L87-I118 HydrophobicContact CD1-CG1 4.42Å; L87-I118 HydrophobicContact CG-CG1 4.45Å; K90-I118 HydrophobicContact CG-CG2 4.09Å; I118-G120 PolarHBondContact O-N 3.25Å; I118-G120 VanDerWaalsContact O-N 3.12Å; I118-D121 PolarHBondContact N-O 2.99Å; I118-D121 WeakPolarHBondContact O-CB 3.34Å; I118-D121 PolarHBondContact O-N 3.23Å; I118-L123 HydrophobicContact CB-CD1 4.36Å; I118-L123 HydrophobicContact CD1-CD1 4.21Å; I118-L123 HydrophobicContact CG1-CD1 4.46Å; I118-V235 HydrophobicContact CD1-CG1 4.3Å
119D86.8Confident91.5Very high108 Ų10855.4 Ų55.458%0.57830%0.296SS*.THydrogen-bonded Turntrans50.234.9-177.6-63.7-13.4000113.9K90 D121K90-D119 WeakPolarHBondContact CD-OD1 3.48Å; K90-D119 WeakPolarHBondContact CD-OD2 3.31Å; K90-D119 WeakPolarHBondContact CE-OD2 3.47Å; K90-D119 IonicContact NZ-OD2 3.54Å; K90-D119 PolarHBondContact NZ-OD2 2.93Å; D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 3.35Å
120G85.4Confident91.6Very high38 Ų3854 Ų5439%0.39229%0.287SS..THydrogen-bonded Turntrans84.9-10.6-178.900000115.1I118 V249I118-G120 PolarHBondContact O-N 3.25Å; I118-G120 VanDerWaalsContact O-N 3.12Å; G120-V249 WeakPolarHBondContact O-CB 3.26Å; G120-V249 PolarHBondContact O-N 2.86Å
121D86.2Confident91.6Very high30 Ų3045.3 Ų45.316%0.1625%0.25CC..EExtended strand (participates in β ladder)trans-83.2124.7174.4-66.5-59.1000110.8I117 I118 D119 L123 R246I117-D121 WeakPolarHBondContact CA-O 3.45Å; I118-D121 PolarHBondContact N-O 2.99Å; I118-D121 WeakPolarHBondContact O-CB 3.34Å; I118-D121 PolarHBondContact O-N 3.23Å; D119-D121 VanDerWaalsContact C-N 3.29Å; D119-D121 PolarHBondContact O-N 3.35Å; D121-L123 HydrophobicContact CB-CD2 4.47Å; D121-L123 HydrophobicContact CB-CG 4.32Å; D121-R246 HydrophobicContact CB-CG 4.44Å; D121-R246 VanDerWaalsContact CG-CZ 3.48Å; D121-R246 IonicContact OD1-CZ 2.81Å; D121-R246 VanDerWaalsContact OD1-CZ 3.23Å; D121-R246 IonicContact OD1-NE 2.68Å; D121-R246 PolarHBondContact OD1-NE 3.48Å; D121-R246 IonicContact OD1-NH2 2.83Å; D121-R246 PolarHBondContact OD1-NH2 2.96Å; D121-R246 IonicContact OD2-CZ 2.65Å; D121-R246 IonicContact OD2-NE 3.23Å; D121-R246 PolarHBondContact OD2-NE 2.9Å; D121-R246 IonicContact OD2-NH2 3.34Å; D121-R246 PolarHBondContact OD2-NH2 3.44Å
122R88.1Confident91.8Very high80 Ų8041.9 Ų41.930%0.30223%0.229SC..EExtended strand (participates in β ladder)trans-81123.7166.4-179.7-173.7-66.5-120.84.6109E115 Y116 R246 E247 V249E115-R122 IonicContact OE1-CZ 3.66Å; E115-R122 IonicContact OE1-NH1 3.64Å; E115-R122 PolarHBondContact OE1-NH1 3.08Å; E115-R122 IonicContact OE2-NH1 2.8Å; E115-R122 PolarHBondContact OE2-NH1 3.37Å; Y116-R122 WeakPolarHBondContact O-CA 3.5Å; R122-R246 WeakPolarHBondContact O-CA 3.08Å; R122-E247 WeakPolarHBondContact CA-O 3.17Å; R122-E247 HydrophobicContact CB-CB 4.36Å; R122-E247 WeakPolarHBondContact CB-O 3.5Å; R122-E247 PolarHBondContact N-O 3.15Å; R122-E247 PolarHBondContact O-N 2.83Å; R122-V249 HydrophobicContact CB-CG2 3.64Å
123L88.8Confident91.7Very high6 Ų636.6 Ų36.63%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-127.6138.6-176.8-57.9164.2000110.1F83 E115 Y116 I118 D121 V235 T244 K245 R246F83-L123 HydrophobicContact CD1-CB 4.33Å; F83-L123 HydrophobicContact CD1-CD1 4.35Å; F83-L123 HydrophobicContact CE1-CB 3.79Å; F83-L123 HydrophobicContact CE1-CD1 3.81Å; F83-L123 HydrophobicContact CE1-CG 4.36Å; E115-L123 CarbonylContact C-O 3.56Å; E115-L123 WeakPolarHBondContact CA-O 3.43Å; Y116-L123 PolarHBondContact N-O 2.95Å; Y116-L123 PolarHBondContact O-N 2.97Å; I118-L123 HydrophobicContact CB-CD1 4.36Å; I118-L123 HydrophobicContact CD1-CD1 4.21Å; I118-L123 HydrophobicContact CG1-CD1 4.46Å; D121-L123 HydrophobicContact CB-CD2 4.47Å; D121-L123 HydrophobicContact CB-CG 4.32Å; L123-V235 HydrophobicContact CD1-CG1 3.39Å; L123-T244 HydrophobicContact CB-CG2 4.38Å; L123-K245 WeakPolarHBondContact CA-O 3.42Å; L123-R246 HydrophobicContact CD2-CB 3.86Å; L123-R246 HydrophobicContact CD2-CG 3.82Å
124T90.9Very high91.8Very high23 Ų2330 Ų3014%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-115.5128.9-179.664.80000112.2L114 E115 T244 K245L114-T124 CarbonylContact O-C 3.58Å; L114-T124 WeakPolarHBondContact O-CA 3.38Å; E115-T124 HydrophobicContact CG-CG2 4.37Å; T124-T244 WeakPolarHBondContact O-CA 3.44Å; T124-T244 WeakPolarHBondContact O-CG2 3.3Å; T124-K245 PolarHBondContact N-O 2.59Å; T124-K245 PolarHBondContact OG1-N 3.39Å
125V90.6Very high91.8Very high0 Ų031 Ų310%018%0.182CC..EExtended strand (participates in β ladder)trans-112.2128.8176.6176.50000109.9Q79 Q80 F83 Y113 L114 Y116 S127Q79-V125 HydrophobicContact CB-CG1 3.48Å; Q79-V125 VanDerWaalsContact CB-CG1 3.48Å; Q79-V125 HydrophobicContact CG-CG1 4.45Å; Q80-V125 HydrophobicContact CG-CG1 4.5Å; F83-V125 HydrophobicContact CB-CG2 4.42Å; F83-V125 HydrophobicContact CD1-CG2 3.65Å; F83-V125 HydrophobicContact CD2-CG2 3.89Å; F83-V125 HydrophobicContact CE1-CG2 3.81Å; F83-V125 HydrophobicContact CE2-CG2 4.06Å; F83-V125 HydrophobicContact CG-CG2 3.69Å; F83-V125 HydrophobicContact CZ-CG2 4.03Å; Y113-V125 CarbonylContact C-O 3.59Å; Y113-V125 WeakPolarHBondContact CA-O 3.49Å; L114-V125 PolarHBondContact N-O 3.25Å; L114-V125 PolarHBondContact O-N 2.88Å; Y116-V125 HydrophobicContact CD2-CB 4.5Å; Y116-V125 HydrophobicContact CD2-CG2 3.97Å; Y116-V125 HydrophobicContact CE2-CB 4Å; Y116-V125 HydrophobicContact CE2-CG2 3.79Å; V125-S127 PolarHBondContact O-N 2.97Å
126P93.4Very high91.8Very high32 Ų3229 Ų2921%0.20818%0.175CC..EExtended strand (participates in β ladder)trans-59.3128172.3-20.130.6000111.2S76 Y113 A128 H243S76-P126 WeakPolarHBondContact CB-O 3.37Å; S76-P126 PolarHBondContact OG-O 3.16Å; Y113-P126 HydrophobicContact CD1-CB 4.41Å; Y113-P126 HydrophobicContact CD1-CG 4.25Å; Y113-P126 HydrophobicContact CE1-CB 4.25Å; Y113-P126 HydrophobicContact CE1-CG 3.95Å; P126-A128 VanDerWaalsContact C-N 3.3Å; P126-A128 PolarHBondContact O-N 3.3Å; P126-H243 HydrophobicContact CG-CB 4.45Å
127S95Very high91.9Very high1 Ų132 Ų321%0.00719%0.188CC..  trans-73.8-23.4179.973.90000112.9S76 V111 D112 V125 G129 L130S76-S127 WeakPolarHBondContact CB-O 3.43Å; S76-S127 WeakPolarHBondContact OG-CA 3.39Å; S76-S127 PolarHBondContact OG-O 3.42Å; V111-S127 WeakPolarHBondContact O-CB 3.43Å; V111-S127 PolarHBondContact O-OG 3.16Å; D112-S127 PolarHBondContact O-N 2.79Å; D112-S127 PolarHBondContact O-OG 3.27Å; V125-S127 PolarHBondContact O-N 2.97Å; S127-G129 PolarHBondContact O-N 3.46Å; S127-G129 VanDerWaalsContact O-N 3.14Å; S127-G129 PolarHBondContact OG-N 3.01Å; S127-L130 WeakPolarHBondContact CB-O 3.05Å; S127-L130 WeakPolarHBondContact O-CA 3.47Å; S127-L130 WeakPolarHBondContact O-CB 3.34Å; S127-L130 PolarHBondContact O-N 3.46Å
128A96Very high92.1Very high43 Ų4333.8 Ų33.836%0.35520%0.202SC..THydrogen-bonded Turntrans5031.7-167.500000112.9E72 P126 L130E72-A128 HydrophobicContact CB-CB 4.43Å; P126-A128 VanDerWaalsContact C-N 3.3Å; P126-A128 PolarHBondContact O-N 3.3Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.27Å
129G96.6Very high92.3Very high33 Ų3333.7 Ų33.734%0.3420%0.202SC..THydrogen-bonded Turntrans75.89.3-175.800000114.5G108 T109 S127G108-G129 CarbonylContact C-O 3.54Å; G108-G129 WeakPolarHBondContact CA-O 3.49Å; T109-G129 PolarHBondContact N-O 3.49Å; S127-G129 PolarHBondContact O-N 3.46Å; S127-G129 VanDerWaalsContact O-N 3.14Å; S127-G129 PolarHBondContact OG-N 3.01Å
130L96.6Very high92.8Very high8 Ų829 Ų294%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-118.1143.9-178.4-55.6-174.8000112.6F66 E73 I77 Q80 V106 R107 T109 S127 A128F66-L130 HydrophobicContact CE1-CD1 4.03Å; F66-L130 HydrophobicContact CE1-CD2 4.22Å; F66-L130 HydrophobicContact CE2-CD2 4.24Å; F66-L130 HydrophobicContact CZ-CD1 4.16Å; F66-L130 HydrophobicContact CZ-CD2 3.52Å; E73-L130 HydrophobicContact CB-CD1 3.6Å; E73-L130 HydrophobicContact CG-CD1 3.62Å; E73-L130 HydrophobicContact CG-CG 4.11Å; I77-L130 HydrophobicContact CD1-CD1 3.99Å; I77-L130 HydrophobicContact CG1-CD1 4.12Å; Q80-L130 PolarHBondContact NE2-O 3.3Å; V106-L130 HydrophobicContact CG1-CB 4.31Å; V106-L130 HydrophobicContact CG1-CD1 4.11Å; V106-L130 HydrophobicContact CG1-CD2 4.19Å; V106-L130 HydrophobicContact CG1-CG 4.45Å; R107-L130 CarbonylContact O-C 3.59Å; R107-L130 WeakPolarHBondContact O-CA 3.42Å; T109-L130 VanDerWaalsContact CG2-C 3.47Å; S127-L130 WeakPolarHBondContact CB-O 3.05Å; S127-L130 WeakPolarHBondContact O-CA 3.47Å; S127-L130 WeakPolarHBondContact O-CB 3.34Å; S127-L130 PolarHBondContact O-N 3.46Å; A128-L130 VanDerWaalsContact C-N 3.27Å; A128-L130 PolarHBondContact O-N 3.27Å
131L95.6Very high93.4Very high22 Ų2227.4 Ų27.412%0.11516%0.159CC..EExtended strand (participates in β ladder)trans-119128.2165-17271.7000109.3V5 R107 T109 L114V5-L131 HydrophobicContact CG1-CD1 3.46Å; V5-L131 VanDerWaalsContact CG1-CD1 3.46Å; R107-L131 HydrophobicContact CG-CB 4.14Å; R107-L131 PolarHBondContact N-O 3.06Å; R107-L131 PolarHBondContact O-N 2.96Å; T109-L131 HydrophobicContact CG2-CB 4.19Å; L114-L131 HydrophobicContact CD1-CD1 3.93Å; L114-L131 HydrophobicContact CD2-CD1 3.68Å; L114-L131 HydrophobicContact CG-CD1 4.48Å
132C96.1Very high93.9Very high1 Ų127.7 Ų27.71%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-113.3132-177-52.60000110.6I77 Q80 M81 I104 L105I77-C132 VanDerWaalsContact CG1-SG 3.6Å; Q80-C132 HydrophobicContact CB-CB 4.21Å; M81-C132 HydrophobicContact CE-CB 3.59Å; I104-C132 HydrophobicContact CG2-CB 4.46Å; L105-C132 CarbonylContact O-C 3.56Å; L105-C132 VanDerWaalsContact O-CA 3.24Å; L105-C132 WeakPolarHBondContact O-CA 2.91Å
133C93.8Very high94.4Very high11 Ų1125.7 Ų25.77%0.07416%0.155CC..EExtended strand (participates in β ladder)trans-118.8135.4177.8-173.50000110.5I6 F7 L8 I104 L105I6-C133 PolarHBondContact O-SG 2.96Å; I6-C133 VanDerWaalsContact O-SG 3.35Å; F7-C133 VanDerWaalsContact C-SG 3.55Å; L8-C133 HydrophobicContact CD2-CB 4.18Å; L8-C133 PolarHBondContact N-SG 2.95Å; I104-C133 WeakPolarHBondContact CA-O 3.47Å; L105-C133 HydrophobicContact CB-CB 4.36Å; L105-C133 PolarHBondContact N-O 3.15Å; L105-C133 PolarHBondContact O-N 3.24Å
134M94.8Very high94.7Very high1 Ų129.4 Ų29.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-84.6135.6171.3-171.7169.1-61.400109.3M81 T84 L85 F94 H96 L99 F137M81-M134 HydrophobicContact SD-CE 3.89Å; T84-M134 HydrophobicContact CG2-CE 4.03Å; L85-M134 HydrophobicContact CD1-CE 4.19Å; L85-M134 HydrophobicContact CD2-CE 3.6Å; L85-M134 HydrophobicContact CD2-SD 3.96Å; L85-M134 HydrophobicContact CG-CE 3.69Å; F94-M134 HydrophobicContact CE1-SD 4.02Å; F94-M134 HydrophobicContact CZ-SD 4.46Å; H96-M134 HydrophobicContact CB-SD 4.15Å; H96-M134 WeakPolarHBondContact CD2-CG 3.49Å; H96-M134 PolarHBondContact CD2-SD 2.84Å; H96-M134 VanDerWaalsContact NE2-CG 3.32Å; H96-M134 WeakPolarHBondContact NE2-CG 3.34Å; L99-M134 HydrophobicContact CD1-CE 3.54Å; L99-M134 HydrophobicContact CD1-CG 3.57Å; L99-M134 HydrophobicContact CD1-SD 3.86Å; L99-M134 HydrophobicContact CD2-CE 3.6Å; L99-M134 HydrophobicContact CG-CE 4.23Å; M134-F137 HydrophobicContact CG-CE1 3.97Å; M134-F137 HydrophobicContact CG-CZ 4.47Å; M134-F137 WeakPolarHBondContact O-CZ 3.43Å; M134-F137 HydrophobicContact SD-CE1 4.45Å
135V93.2Very high94.8Very high27 Ų2735 Ų3516%0.16420%0.203CC..  trans-139.4168.1179.9-60.90000111L8 H96 N103 L105L8-V135 HydrophobicContact CD1-CG1 3.95Å; L8-V135 HydrophobicContact CG-CG1 4.18Å; H96-V135 PolarHBondContact CE1-O 2.95Å; H96-V135 VanDerWaalsContact CE1-O 3.28Å; H96-V135 PolarHBondContact NE2-O 3.23Å; N103-V135 HydrophobicContact CB-CG2 4.45Å; N103-V135 WeakPolarHBondContact CB-O 3.3Å; N103-V135 PolarHBondContact O-N 3.22Å; N103-V135 VanDerWaalsContact O-N 3.08Å; L105-V135 HydrophobicContact CD1-CG1 3.71Å; L105-V135 HydrophobicContact CD1-CG2 4.39Å; L105-V135 HydrophobicContact CD2-CG2 4.47Å; L105-V135 HydrophobicContact CG-CG1 3.99Å; L105-V135 HydrophobicContact CG-CG2 4.04Å
136D91.8Very high94.9Very high64 Ų6442.5 Ų42.534%0.34224%0.243SC..  trans62.292.9-176.2-164.9-11.1000114H96 N103 T138H96-D136 PolarHBondContact CE1-O 3.36Å; H96-D136 PolarHBondContact NE2-O 3.21Å; H96-D136 VanDerWaalsContact NE2-O 3.15Å; N103-D136 WeakPolarHBondContact OD1-CB 3.36Å; D136-T138 WeakPolarHBondContact OD1-CB 3.46Å; D136-T138 PolarHBondContact OD1-N 3.38Å; D136-T138 PolarHBondContact OD1-OG1 3.12Å
137F93.1Very high95.1Very high69 Ų6947.4 Ų47.430%0.30326%0.263SS..  trans-10014.5180-51.7-65.3000112.8F7 F94 H96 M134 L139 S140F7-F137 HydrophobicContact CD1-CE1 4.3Å; F7-F137 HydrophobicContact CD1-CE2 4Å; F7-F137 AromaticContact CD1-CZ 3.46Å; F7-F137 HydrophobicContact CD1-CZ 3.46Å; F7-F137 VanDerWaalsContact CD1-CZ 3.46Å; F7-F137 AromaticContact CE1-CE1 3.71Å; F7-F137 HydrophobicContact CE1-CE1 3.71Å; F7-F137 HydrophobicContact CE1-CE2 4.08Å; F7-F137 AromaticContact CE1-CZ 3.31Å; F7-F137 HydrophobicContact CE1-CZ 3.31Å; F94-F137 HydrophobicContact CE2-CD1 4.15Å; F94-F137 AromaticContact CZ-CD1 3.82Å; F94-F137 HydrophobicContact CZ-CD1 3.82Å; F94-F137 HydrophobicContact CZ-CE1 4.08Å; H96-F137 AromaticContact CD2-CD1 3.84Å; H96-F137 AromaticContact CD2-CE1 3.78Å; H96-F137 AromaticContact NE2-CD1 3.86Å; H96-F137 AromaticContact NE2-CE1 3.78Å; M134-F137 HydrophobicContact CG-CE1 3.97Å; M134-F137 HydrophobicContact CG-CZ 4.47Å; M134-F137 WeakPolarHBondContact O-CZ 3.43Å; M134-F137 HydrophobicContact SD-CE1 4.45Å; F137-L139 PolarHBondContact O-N 3.38Å; F137-S140 WeakPolarHBondContact CA-OG 3.32Å; F137-S140 VanDerWaalsContact O-CB 3.27Å; F137-S140 WeakPolarHBondContact O-CB 3.29Å; F137-S140 PolarHBondContact O-N 3.5Å; F137-S140 PolarHBondContact O-OG 3.45Å
138T92.1Very high95.2Very high101 Ų10149.2 Ų49.262%0.6227%0.274SS*.THydrogen-bonded Turntrans-57.7-39.5-173.5-55.50000111.9D136 A151D136-T138 WeakPolarHBondContact OD1-CB 3.46Å; D136-T138 PolarHBondContact OD1-N 3.38Å; D136-T138 PolarHBondContact OD1-OG1 3.12Å; T138-A151 WeakPolarHBondContact O-CB 3.38Å
139L94.4Very high95.3Very high10 Ų1051 Ų515%0.05228%0.277CS..THydrogen-bonded Turntrans-95.20.3179.4-59.6-170.5000113.8R97 D98 F137 A151 L153 I159R97-L139 HydrophobicContact CB-CB 4.39Å; R97-L139 WeakPolarHBondContact CB-O 3.43Å; R97-L139 VanDerWaalsContact CD-O 3.25Å; R97-L139 WeakPolarHBondContact CD-O 3.37Å; D98-L139 HydrophobicContact CB-CB 4.2Å; D98-L139 HydrophobicContact CB-CD1 4.04Å; D98-L139 HydrophobicContact CB-CG 4.42Å; F137-L139 PolarHBondContact O-N 3.38Å; L139-A151 HydrophobicContact CD2-CB 4.29Å; L139-L153 HydrophobicContact CB-CD1 4.22Å; L139-L153 HydrophobicContact CD2-CD1 4.31Å; L139-L153 HydrophobicContact CD2-CG 4.48Å; L139-I159 HydrophobicContact CD1-CD1 4.22Å
140S96.5Very high95.3Very high8 Ų853.7 Ų53.76%0.05628%0.277CS..  trans-67.2164.3-173.2-67.90000113E95 H96 F137 Y150 A151E95-S140 CarbonylContact O-C 3.5Å; E95-S140 VanDerWaalsContact O-CA 3.23Å; E95-S140 WeakPolarHBondContact O-CA 3.44Å; E95-S140 VanDerWaalsContact O-CB 3.3Å; E95-S140 WeakPolarHBondContact O-CB 3.38Å; H96-S140 WeakPolarHBondContact CA-OG 3.32Å; H96-S140 WeakPolarHBondContact O-CA 3.2Å; H96-S140 PolarHBondContact O-OG 3.04Å; F137-S140 WeakPolarHBondContact CA-OG 3.32Å; F137-S140 VanDerWaalsContact O-CB 3.27Å; F137-S140 WeakPolarHBondContact O-CB 3.29Å; F137-S140 PolarHBondContact O-N 3.5Å; F137-S140 PolarHBondContact O-OG 3.45Å; S140-Y150 WeakPolarHBondContact O-CA 3.35Å; S140-A151 PolarHBondContact O-N 2.96Å
141R97.5Very high95.1Very high6 Ų654.1 Ų54.12%0.02328%0.282CS..EExtended strand (participates in β ladder)trans-130.2135.4168.9175.2-95.4179.2-115-10.5109.7K93 F94 E95 V148 I149 E182K93-R141 VanDerWaalsContact CB-NH1 3.26Å; K93-R141 PolarHBondContact O-NH1 3.13Å; F94-R141 CarbonylContact C-O 3.58Å; F94-R141 WeakPolarHBondContact CA-O 3.44Å; E95-R141 HydrophobicContact CB-CB 4.37Å; E95-R141 PolarHBondContact N-O 3.31Å; E95-R141 PolarHBondContact O-N 3.15Å; E95-R141 WeakPolarHBondContact OE1-CD 3.28Å; R141-V148 HydrophobicContact CG-CG1 4.38Å; R141-I149 CarbonylContact C-O 3.59Å; R141-I149 VanDerWaalsContact CA-O 3.31Å; R141-I149 WeakPolarHBondContact CA-O 3.44Å; R141-E182 PolarHBondContact NE-O 3.3Å; R141-E182 VanDerWaalsContact NE-O 3.12Å
142L97.7Very high94.9Very high36 Ų3656.1 Ų56.119%0.18829%0.293CS..EExtended strand (participates in β ladder)trans-151.1165.7176.865.492.7000110.7L92 F94 I144 I149L92-L142 HydrophobicContact CB-CB 4.36Å; L92-L142 CarbonylContact O-C 3.54Å; L92-L142 WeakPolarHBondContact O-CA 3.45Å; F94-L142 HydrophobicContact CD2-CB 4.02Å; F94-L142 HydrophobicContact CD2-CD2 4.38Å; L142-I144 HydrophobicContact CD1-CD1 3.89Å; L142-I144 HydrophobicContact CD1-CG1 3.62Å; L142-I149 HydrophobicContact CD1-CB 4.22Å; L142-I149 HydrophobicContact CD1-CD1 4.19Å; L142-I149 HydrophobicContact CD1-CG1 4.47Å; L142-I149 HydrophobicContact CG-CB 4.27Å; L142-I149 PolarHBondContact N-O 3.42Å; L142-I149 PolarHBondContact O-N 3.01Å; L142-I149 VanDerWaalsContact O-O 3.1Å
143Q97.7Very high94.6Very high38 Ų3856.1 Ų56.118%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-130.6125.6177.2178174-22.600109L92 K93 D145 Q147 V148L92-Q143 PolarHBondContact O-N 3.19Å; K93-Q143 HydrophobicContact CB-CB 4.38Å; K93-Q143 HydrophobicContact CD-CB 4.38Å; K93-Q143 VanDerWaalsContact CD-OE1 3.26Å; K93-Q143 VanDerWaalsContact NZ-OE1 3.15Å; Q143-D145 VanDerWaalsContact CG-O 3.26Å; Q143-D145 WeakPolarHBondContact CG-O 3.47Å; Q143-D145 PolarHBondContact NE2-O 3.38Å; Q143-Q147 VanDerWaalsContact CA-O 3.3Å; Q143-Q147 WeakPolarHBondContact CA-O 3.22Å; Q143-V148 HydrophobicContact CB-CG2 4.48Å; Q143-V148 HydrophobicContact CG-CG2 4.31Å
144I94.8Very high94.2Very high83 Ų8359.5 Ų59.543%0.42632%0.317SS..EExtended strand (participates in β ladder)trans-113.3118.6170.8-58.1173.1000105.5L92 L142 D146 Q147 I149L92-I144 HydrophobicContact CD2-CG1 4.27Å; L142-I144 HydrophobicContact CD1-CD1 3.89Å; L142-I144 HydrophobicContact CD1-CG1 3.62Å; I144-D146 PolarHBondContact O-N 3.18Å; I144-D146 VanDerWaalsContact O-N 3.15Å; I144-Q147 PolarHBondContact N-O 2.8Å; I144-Q147 PolarHBondContact O-N 3.3Å; I144-I149 HydrophobicContact CD1-CD1 4.33Å
145D93.3Very high93.5Very high140 Ų14063.6 Ų63.675%0.74935%0.345SS*.THydrogen-bonded Turntrans51.5-118.5-172.6-52.1-40.9000110.8Q143Q143-D145 VanDerWaalsContact CG-O 3.26Å; Q143-D145 WeakPolarHBondContact CG-O 3.47Å; Q143-D145 PolarHBondContact NE2-O 3.38Å
146D93.6Very high92.8Very high158 Ų15864.6 Ų64.685%0.84535%0.348SS*.THydrogen-bonded Turntrans-95.3-4.2177.5-64.7-42.3000113.7I144I144-D146 PolarHBondContact O-N 3.18Å; I144-D146 VanDerWaalsContact O-N 3.15Å
147Q97.1Very high92Very high135 Ų13565.9 Ų65.963%0.63136%0.362SS*.EExtended strand (participates in β ladder)trans-91.3123.3-179-170.5174.913.900111.4Q143 I144 I149Q143-Q147 VanDerWaalsContact CA-O 3.3Å; Q143-Q147 WeakPolarHBondContact CA-O 3.22Å; I144-Q147 PolarHBondContact N-O 2.8Å; I144-Q147 PolarHBondContact O-N 3.3Å; Q147-I149 HydrophobicContact CG-CG1 4.46Å
148V97.5Very high91.2Very high39 Ų3968.2 Ų68.224%0.23637%0.373CS..EExtended strand (participates in β ladder)trans-94.4125.2172-174.40000109.5R141 Q143 Y150 E182R141-V148 HydrophobicContact CG-CG1 4.38Å; Q143-V148 HydrophobicContact CB-CG2 4.48Å; Q143-V148 HydrophobicContact CG-CG2 4.31Å; V148-Y150 HydrophobicContact CG1-CD1 4Å; V148-E182 HydrophobicContact CB-CG 4.3Å; V148-E182 HydrophobicContact CG1-CG 3.95Å
149I97Very high90.5Very high82 Ų8264 Ų6442%0.42135%0.347SS..EExtended strand (participates in β ladder)trans-111121.1173.8-57176.9000106.8R141 L142 I144 Q147R141-I149 CarbonylContact C-O 3.59Å; R141-I149 VanDerWaalsContact CA-O 3.31Å; R141-I149 WeakPolarHBondContact CA-O 3.44Å; L142-I149 HydrophobicContact CD1-CB 4.22Å; L142-I149 HydrophobicContact CD1-CD1 4.19Å; L142-I149 HydrophobicContact CD1-CG1 4.47Å; L142-I149 HydrophobicContact CG-CB 4.27Å; L142-I149 PolarHBondContact N-O 3.42Å; L142-I149 PolarHBondContact O-N 3.01Å; L142-I149 VanDerWaalsContact O-O 3.1Å; I144-I149 HydrophobicContact CD1-CD1 4.33Å; Q147-I149 HydrophobicContact CG-CG1 4.46Å
150Y96.4Very high89.7Confident88 Ų8865.5 Ų65.535%0.34535%0.353SS..EExtended strand (participates in β ladder)trans-153.2154.1-178.573-76.6000111.8S140 V148 D152 W181 E182S140-Y150 WeakPolarHBondContact O-CA 3.35Å; V148-Y150 HydrophobicContact CG1-CD1 4Å; Y150-D152 HydrophobicContact CE2-CB 4.31Å; Y150-W181 VanDerWaalsContact CD2-C 3.49Å; Y150-W181 HydrophobicContact CD2-CB 3.93Å; Y150-W181 WeakPolarHBondContact CD2-O 3.2Å; Y150-W181 HydrophobicContact CE2-CB 4.02Å; Y150-E182 HydrophobicContact CD1-CB 4.1Å; Y150-E182 HydrophobicContact CD1-CG 3.98Å; Y150-E182 HydrophobicContact CD2-CB 4.39Å; Y150-E182 HydrophobicContact CE1-CB 3.69Å; Y150-E182 HydrophobicContact CE1-CG 3.61Å; Y150-E182 HydrophobicContact CE2-CB 4.01Å; Y150-E182 HydrophobicContact CG-CB 4.44Å
151A93.2Very high88.6Confident17 Ų1769.4 Ų69.414%0.1438%0.381CS..  trans-91.1134.7164.200000111T138 L139 S140 L153T138-A151 WeakPolarHBondContact O-CB 3.38Å; L139-A151 HydrophobicContact CD2-CB 4.29Å; S140-A151 PolarHBondContact O-N 2.96Å; A151-L153 HydrophobicContact CB-CD1 4.12Å; A151-L153 VanDerWaalsContact O-CD1 3.3Å; A151-L153 WeakPolarHBondContact O-CD1 3.43Å; A151-L153 PolarHBondContact O-N 2.65Å
152D92.2Very high87.3Confident65 Ų6570.4 Ų70.435%0.34839%0.393SS..  trans-82.7103169.1-170.9-22.1000109.9Y150 S154 S155 H156Y150-D152 HydrophobicContact CE2-CB 4.31Å; D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 WeakPolarHBondContact OD1-CA 3.37Å; D152-S154 WeakPolarHBondContact OD1-CB 3.33Å; D152-S154 PolarHBondContact OD1-N 3.4Å; D152-S154 PolarHBondContact OD1-OG 3.26Å; D152-S154 PolarHBondContact OD2-OG 2.99Å; D152-S155 PolarHBondContact O-N 2.81Å; D152-S155 PolarHBondContact O-OG 2.83Å; D152-H156 PolarHBondContact O-ND1 3.3Å; D152-H156 VanDerWaalsContact O-ND1 3.13Å
153L89.7Confident86.1Confident0 Ų073.7 Ų73.70%042%0.419CS..G310 helixtrans-70.4-14.1-179.1-83.465.9000112.4L139 A151 S155 H156 I159 F160 M174 W181L139-L153 HydrophobicContact CB-CD1 4.22Å; L139-L153 HydrophobicContact CD2-CD1 4.31Å; L139-L153 HydrophobicContact CD2-CG 4.48Å; A151-L153 HydrophobicContact CB-CD1 4.12Å; A151-L153 VanDerWaalsContact O-CD1 3.3Å; A151-L153 WeakPolarHBondContact O-CD1 3.43Å; A151-L153 PolarHBondContact O-N 2.65Å; L153-S155 PolarHBondContact O-N 3.34Å; L153-H156 PolarHBondContact O-N 3.21Å; L153-I159 HydrophobicContact CB-CD1 4.26Å; L153-I159 HydrophobicContact CD2-CD1 3.7Å; L153-I159 HydrophobicContact CG-CD1 3.89Å; L153-F160 HydrophobicContact CB-CE2 4.28Å; L153-F160 HydrophobicContact CB-CZ 4.21Å; L153-F160 WeakPolarHBondContact O-CE2 3.35Å; L153-M174 HydrophobicContact CD2-CE 4.37Å; L153-W181 HydrophobicContact CB-CD2 3.88Å; L153-W181 HydrophobicContact CB-CE3 4Å; L153-W181 HydrophobicContact CB-CH2 3.75Å; L153-W181 HydrophobicContact CB-CZ2 3.6Å; L153-W181 HydrophobicContact CB-CZ3 3.91Å; L153-W181 HydrophobicContact CD1-CE3 4.17Å; L153-W181 HydrophobicContact CD1-CZ3 4.38Å; L153-W181 HydrophobicContact CD2-CE3 4.24Å; L153-W181 HydrophobicContact CD2-CH2 3.82Å; L153-W181 HydrophobicContact CD2-CZ3 3.63Å; L153-W181 HydrophobicContact CG-CE3 4.36Å; L153-W181 HydrophobicContact CG-CH2 4.37Å; L153-W181 HydrophobicContact CG-CZ3 4.19Å
154S85.3Confident84.6Confident83 Ų8375.4 Ų75.458%0.5845%0.447SS*.G310 helixtrans-60.8-27.8173.872.60000112.4D152 H156D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 WeakPolarHBondContact OD1-CA 3.37Å; D152-S154 WeakPolarHBondContact OD1-CB 3.33Å; D152-S154 PolarHBondContact OD1-N 3.4Å; D152-S154 PolarHBondContact OD1-OG 3.26Å; D152-S154 PolarHBondContact OD2-OG 2.99Å; S154-H156 VanDerWaalsContact C-N 3.27Å; S154-H156 PolarHBondContact O-N 3.46Å
155S79.4Confident83.8Confident87 Ų8776.3 Ų76.361%0.60845%0.449SS*.G310 helixtrans-75.9-10.7173.767.40000114.1D152 L153D152-S155 PolarHBondContact O-N 2.81Å; D152-S155 PolarHBondContact O-OG 2.83Å; L153-S155 PolarHBondContact O-N 3.34Å
156H78.7Confident83Confident48 Ų4873.7 Ų73.722%0.22243%0.433CS..  trans-105.762.1-176.9-6176000110.4D152 L153 S154 H158 I159 F160D152-H156 PolarHBondContact O-ND1 3.3Å; D152-H156 VanDerWaalsContact O-ND1 3.13Å; L153-H156 PolarHBondContact O-N 3.21Å; S154-H156 VanDerWaalsContact C-N 3.27Å; S154-H156 PolarHBondContact O-N 3.46Å; H156-H158 AromaticContact CD2-CE1 3.89Å; H156-H158 PolarHBondContact O-N 2.94Å; H156-H158 VanDerWaalsContact O-N 3.14Å; H156-I159 HydrophobicContact CB-CD1 4.09Å; H156-I159 HydrophobicContact CB-CG1 3.87Å; H156-I159 WeakPolarHBondContact O-CG1 3.43Å; H156-I159 PolarHBondContact O-N 3.45Å; H156-F160 WeakPolarHBondContact O-CD2 3.42Å
157S74.5Confident82.3Confident90 Ų9067.3 Ų67.363%0.62940%0.399SS*.Hα-helixtrans-58.5-31.7-176.258.80000113.8I159 F160 S161S157-I159 VanDerWaalsContact C-N 3.34Å; S157-I159 PolarHBondContact O-N 3.31Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.07Å; S157-S161 PolarHBondContact O-N 3.31Å
158H77.5Confident81.6Confident118 Ų11863 Ų6355%0.54638%0.378SS..Hα-helixtrans-62-33.5-177.760.9-84.5000113.9H156 F160 S161 G162H156-H158 AromaticContact CD2-CE1 3.89Å; H156-H158 PolarHBondContact O-N 2.94Å; H156-H158 VanDerWaalsContact O-N 3.14Å; H158-F160 PolarHBondContact O-N 2.88Å; H158-S161 WeakPolarHBondContact CA-OG 3.37Å; H158-S161 PolarHBondContact O-N 3.25Å; H158-S161 PolarHBondContact O-OG 3.04Å; H158-G162 PolarHBondContact O-N 3.36Å
159I77.3Confident81.1Confident14 Ų1468.2 Ų68.27%0.07239%0.394CS..Hα-helixtrans-69.5-21.2176.858.2158.1000112.4L139 L153 H156 S157 F168 Y171L139-I159 HydrophobicContact CD1-CD1 4.22Å; L153-I159 HydrophobicContact CB-CD1 4.26Å; L153-I159 HydrophobicContact CD2-CD1 3.7Å; L153-I159 HydrophobicContact CG-CD1 3.89Å; H156-I159 HydrophobicContact CB-CD1 4.09Å; H156-I159 HydrophobicContact CB-CG1 3.87Å; H156-I159 WeakPolarHBondContact O-CG1 3.43Å; H156-I159 PolarHBondContact O-N 3.45Å; S157-I159 VanDerWaalsContact C-N 3.34Å; S157-I159 PolarHBondContact O-N 3.31Å; I159-F168 VanDerWaalsContact O-CD1 3.3Å; I159-F168 WeakPolarHBondContact O-CD1 3.24Å; I159-Y171 HydrophobicContact CB-CD2 4.32Å; I159-Y171 HydrophobicContact CB-CE2 4.23Å; I159-Y171 HydrophobicContact CB-CG 4.5Å; I159-Y171 HydrophobicContact CD1-CD1 3.82Å; I159-Y171 HydrophobicContact CD1-CE1 4.15Å; I159-Y171 HydrophobicContact CD1-CG 4.25Å; I159-Y171 VanDerWaalsContact O-CD2 3.24Å; I159-Y171 WeakPolarHBondContact O-CD2 3.41Å
160F77.1Confident80.9Confident40 Ų4064.7 Ų64.718%0.17538%0.377CS..Hα-helixtrans-92.5-14.9176.8-61.6-79000113.5L153 H156 S157 H158 R175 W181L153-F160 HydrophobicContact CB-CE2 4.28Å; L153-F160 HydrophobicContact CB-CZ 4.21Å; L153-F160 WeakPolarHBondContact O-CE2 3.35Å; H156-F160 WeakPolarHBondContact O-CD2 3.42Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.07Å; H158-F160 PolarHBondContact O-N 2.88Å; F160-R175 HydrophobicContact CE1-CB 4.01Å; F160-W181 HydrophobicContact CZ-CH2 4.05Å; F160-W181 AromaticContact CZ-CZ2 3.93Å; F160-W181 HydrophobicContact CZ-CZ2 3.93Å
161S73.7Confident80.7Confident91 Ų9160.7 Ų60.764%0.63636%0.361SS*.Hα-helixtrans-94.4-10.2178.856.90000114S157 H158S157-S161 PolarHBondContact O-N 3.31Å; H158-S161 WeakPolarHBondContact CA-OG 3.37Å; H158-S161 PolarHBondContact O-N 3.25Å; H158-S161 PolarHBondContact O-OG 3.04Å
162G70.6Confident80.6Confident26 Ų2661.6 Ų61.627%0.26837%0.366SS..  trans-62.3148.9176.600000112.2H158 F168H158-G162 PolarHBondContact O-N 3.36Å; G162-F168 VanDerWaalsContact C-CG 3.44Å; G162-F168 WeakPolarHBondContact O-CB 3.01Å; G162-F168 WeakPolarHBondContact O-CG 3.33Å
163S71.4Confident80.6Confident105 Ų10562.3 Ų62.373%0.73437%0.369SS*.  trans-143162.4179.467.40000110.5E165S163-E165 VanDerWaalsContact C-N 3.31Å; S163-E165 PolarHBondContact O-N 3.4Å
164G66.9Low80.8Confident75 Ų7562.3 Ų62.377%0.77337%0.369SS*.SBendtrans88.3-25.4176.400000115.5
165E76.6Confident81.1Confident101 Ų10164.9 Ų64.947%0.47237%0.366SS..SBendtrans-105.1147176.6-63-177.2-175.300113.3S163 Q167 F168S163-E165 VanDerWaalsContact C-N 3.31Å; S163-E165 PolarHBondContact O-N 3.4Å; E165-Q167 HydrophobicContact CB-CG 4.19Å; E165-Q167 PolarHBondContact O-N 3.48Å; E165-Q167 VanDerWaalsContact O-N 3.12Å; E165-Q167 PolarHBondContact OE2-NE2 3.43Å; E165-F168 HydrophobicContact CB-CD2 3.82Å; E165-F168 HydrophobicContact CB-CE2 4.02Å; E165-F168 HydrophobicContact CG-CE2 4.43Å; E165-F168 PolarHBondContact O-N 3.46Å
166M76.4Confident81.8Confident85 Ų8569 Ų6942%0.41937%0.373SS..G310 helixtrans-60.8-26.3-175.8-74.6-62.4-60.500113.4F168 Y169 Y195 D198M166-F168 VanDerWaalsContact C-N 3.34Å; M166-F168 PolarHBondContact O-N 2.93Å; M166-Y169 PolarHBondContact O-N 3.27Å; M166-Y169 HydrophobicContact SD-CD2 4.21Å; M166-Y169 HydrophobicContact SD-CE2 4.23Å; M166-Y195 HydrophobicContact CB-CD2 3.96Å; M166-Y195 HydrophobicContact CB-CE2 3.59Å; M166-D198 VanDerWaalsContact CE-OD2 3.23Å; M166-D198 WeakPolarHBondContact CE-OD2 3.48Å
167Q79.6Confident82.5Confident24 Ų2469.8 Ų69.811%0.11238%0.378CS..G310 helixtrans-69.1-32.1-178.165.8-167.935.200112.3H100 E165 Y169 V170 W192 Y195H100-Q167 HydrophobicContact CB-CB 4.05Å; H100-Q167 VanDerWaalsContact CG-OE1 3.3Å; H100-Q167 PolarHBondContact ND1-OE1 3.25Å; E165-Q167 HydrophobicContact CB-CG 4.19Å; E165-Q167 PolarHBondContact O-N 3.48Å; E165-Q167 VanDerWaalsContact O-N 3.12Å; E165-Q167 PolarHBondContact OE2-NE2 3.43Å; Q167-Y169 PolarHBondContact O-N 2.82Å; Q167-Y169 VanDerWaalsContact O-N 3.12Å; Q167-V170 WeakPolarHBondContact O-CB 3.3Å; Q167-V170 PolarHBondContact O-N 3.46Å; Q167-W192 HydrophobicContact CB-CH2 4.3Å; Q167-W192 HydrophobicContact CB-CZ3 4.21Å; Q167-Y195 HydrophobicContact CB-CE2 3.9Å
168F82.1Confident83.3Confident44 Ų4466.1 Ų66.119%0.19335%0.351CS..G310 helixtrans-68.6-11.8179.3-65.5-60.9000113.7I159 G162 E165 M166 Y171 P172I159-F168 VanDerWaalsContact O-CD1 3.3Å; I159-F168 WeakPolarHBondContact O-CD1 3.24Å; G162-F168 VanDerWaalsContact C-CG 3.44Å; G162-F168 WeakPolarHBondContact O-CB 3.01Å; G162-F168 WeakPolarHBondContact O-CG 3.33Å; E165-F168 HydrophobicContact CB-CD2 3.82Å; E165-F168 HydrophobicContact CB-CE2 4.02Å; E165-F168 HydrophobicContact CG-CE2 4.43Å; E165-F168 PolarHBondContact O-N 3.46Å; M166-F168 VanDerWaalsContact C-N 3.34Å; M166-F168 PolarHBondContact O-N 2.93Å; F168-Y171 HydrophobicContact CD1-CD2 4.14Å; F168-Y171 AromaticContact CD1-CE2 3.91Å; F168-Y171 HydrophobicContact CD1-CE2 3.91Å; F168-Y171 HydrophobicContact CE1-CE2 4.26Å; F168-P172 WeakPolarHBondContact O-CD 3.49Å; F168-P172 WeakPolarHBondContact O-CG 3.26Å
169Y86.9Confident83.7Confident149 Ų14964.7 Ų64.758%0.58437%0.368SS*.G310 helixtrans-81-17.9169.3-62.4-73.1000113.3M166 Q167 L173M166-Y169 PolarHBondContact O-N 3.27Å; M166-Y169 HydrophobicContact SD-CD2 4.21Å; M166-Y169 HydrophobicContact SD-CE2 4.23Å; Q167-Y169 PolarHBondContact O-N 2.82Å; Q167-Y169 VanDerWaalsContact O-N 3.12Å; Y169-L173 WeakPolarHBondContact O-CG 3.36Å
170V93.2Very high84.5Confident8 Ų866.5 Ų66.55%0.04838%0.382CS..Hα-helixtrans-80.7-43.9-176.7-174.60000111.4Q167 L173 M174 L191 W192 Y195Q167-V170 WeakPolarHBondContact O-CB 3.3Å; Q167-V170 PolarHBondContact O-N 3.46Å; V170-L173 WeakPolarHBondContact O-CA 3.49Å; V170-L173 WeakPolarHBondContact O-CB 3.01Å; V170-L173 PolarHBondContact O-N 2.98Å; V170-M174 HydrophobicContact CG1-CG 4.3Å; V170-M174 PolarHBondContact O-N 3.01Å; V170-L191 HydrophobicContact CG1-CB 3.98Å; V170-W192 HydrophobicContact CB-CD2 4.49Å; V170-W192 HydrophobicContact CB-CE3 4.41Å; V170-W192 HydrophobicContact CB-CH2 4.08Å; V170-W192 HydrophobicContact CB-CZ2 4.12Å; V170-W192 HydrophobicContact CB-CZ3 4.21Å; V170-W192 HydrophobicContact CG1-CD2 3.77Å; V170-W192 HydrophobicContact CG1-CE3 4.14Å; V170-W192 HydrophobicContact CG1-CG 4.24Å; V170-W192 HydrophobicContact CG1-CH2 4.26Å; V170-W192 HydrophobicContact CG1-CZ2 3.86Å; V170-W192 HydrophobicContact CG1-CZ3 4.37Å; V170-W192 HydrophobicContact CG2-CE3 4.21Å; V170-W192 HydrophobicContact CG2-CH2 4.46Å; V170-W192 HydrophobicContact CG2-CZ3 4.11Å; V170-Y195 HydrophobicContact CG2-CD2 3.99Å; V170-Y195 HydrophobicContact CG2-CG 4.02Å
171Y92.5Very high85.3Confident4 Ų465.9 Ų65.92%0.01638%0.379CS..Hα-helixtrans-58.3-44.9-178.9-47.7-76.2000113.7D98 I159 F168 L173 M174 R175 W192D98-Y171 WeakPolarHBondContact OD1-CE1 3.36Å; D98-Y171 VanDerWaalsContact OD1-CZ 3.32Å; D98-Y171 PolarHBondContact OD1-OH 3.16Å; I159-Y171 HydrophobicContact CB-CD2 4.32Å; I159-Y171 HydrophobicContact CB-CE2 4.23Å; I159-Y171 HydrophobicContact CB-CG 4.5Å; I159-Y171 HydrophobicContact CD1-CD1 3.82Å; I159-Y171 HydrophobicContact CD1-CE1 4.15Å; I159-Y171 HydrophobicContact CD1-CG 4.25Å; I159-Y171 VanDerWaalsContact O-CD2 3.24Å; I159-Y171 WeakPolarHBondContact O-CD2 3.41Å; F168-Y171 HydrophobicContact CD1-CD2 4.14Å; F168-Y171 AromaticContact CD1-CE2 3.91Å; F168-Y171 HydrophobicContact CD1-CE2 3.91Å; F168-Y171 HydrophobicContact CE1-CE2 4.26Å; Y171-L173 PolarHBondContact O-N 3.02Å; Y171-M174 HydrophobicContact CD1-CE 3.34Å; Y171-M174 HydrophobicContact CE1-CE 4.1Å; Y171-M174 HydrophobicContact CG-CE 4.14Å; Y171-M174 WeakPolarHBondContact O-CB 3.12Å; Y171-M174 PolarHBondContact O-N 2.86Å; Y171-M174 VanDerWaalsContact O-N 3.16Å; Y171-R175 PolarHBondContact O-N 3.25Å; Y171-W192 HydrophobicContact CD1-CZ2 4.22Å; Y171-W192 HydrophobicContact CE1-CH2 4.02Å; Y171-W192 AromaticContact CE1-CZ2 3.71Å; Y171-W192 HydrophobicContact CE1-CZ2 3.71Å; Y171-W192 AromaticContact CZ-CH2 3.95Å
172P90.1Very high86.3Confident37 Ų3765.9 Ų65.924%0.2437%0.369CS..Hα-helixtrans-61.8-30.6175.3-24.235.3000113.4F168 K176F168-P172 WeakPolarHBondContact O-CD 3.49Å; F168-P172 WeakPolarHBondContact O-CG 3.26Å; P172-K176 WeakPolarHBondContact O-CG 3.46Å; P172-K176 PolarHBondContact O-N 3.08Å
173L93Very high87.5Confident79 Ų7968.6 Ų68.641%0.41438%0.38SS..Hα-helixtrans-71.7-41.2174.8-65.4174.4000111.3Y169 V170 Y171 K176 I177 L191Y169-L173 WeakPolarHBondContact O-CG 3.36Å; V170-L173 WeakPolarHBondContact O-CA 3.49Å; V170-L173 WeakPolarHBondContact O-CB 3.01Å; V170-L173 PolarHBondContact O-N 2.98Å; Y171-L173 PolarHBondContact O-N 3.02Å; L173-K176 PolarHBondContact O-N 3.14Å; L173-I177 PolarHBondContact O-N 3.04Å; L173-L191 HydrophobicContact CB-CD1 3.7Å; L173-L191 HydrophobicContact CB-CD2 4.15Å; L173-L191 HydrophobicContact CD1-CD2 4.1Å
174M94.5Very high88.8Confident0 Ų066.5 Ų66.50%036%0.358CS..Hα-helixtrans-60-48.7173.9-68.3-166.7-63.300111.3R97 L153 V170 Y171 K176 I177 I178 T188 L191 W192R97-M174 HydrophobicContact CB-SD 4.31Å; R97-M174 HydrophobicContact CG-SD 4.46Å; R97-M174 VanDerWaalsContact O-CE 3.25Å; R97-M174 WeakPolarHBondContact O-CE 3.18Å; L153-M174 HydrophobicContact CD2-CE 4.37Å; V170-M174 HydrophobicContact CG1-CG 4.3Å; V170-M174 PolarHBondContact O-N 3.01Å; Y171-M174 HydrophobicContact CD1-CE 3.34Å; Y171-M174 HydrophobicContact CE1-CE 4.1Å; Y171-M174 HydrophobicContact CG-CE 4.14Å; Y171-M174 WeakPolarHBondContact O-CB 3.12Å; Y171-M174 PolarHBondContact O-N 2.86Å; Y171-M174 VanDerWaalsContact O-N 3.16Å; M174-K176 PolarHBondContact O-N 3.14Å; M174-K176 VanDerWaalsContact O-N 3.16Å; M174-I177 VanDerWaalsContact O-CG1 3.23Å; M174-I177 WeakPolarHBondContact O-CG1 3.39Å; M174-I177 PolarHBondContact O-N 3.15Å; M174-I178 HydrophobicContact CB-CD1 3.96Å; M174-I178 WeakPolarHBondContact O-CB 3.49Å; M174-I178 VanDerWaalsContact O-CG1 3.3Å; M174-I178 WeakPolarHBondContact O-CG1 3.28Å; M174-I178 PolarHBondContact O-N 3.03Å; M174-T188 HydrophobicContact CB-CG2 4.35Å; M174-T188 HydrophobicContact CG-CG2 4.01Å; M174-T188 HydrophobicContact SD-CG2 4.2Å; M174-L191 HydrophobicContact CG-CD1 3.85Å; M174-W192 HydrophobicContact CE-CZ2 4.12Å; M174-W192 PolarHBondContact SD-NE1 2.92Å
175R91.5Very high90.3Very high138 Ų13864.8 Ų64.852%0.52133%0.331SS..Hα-helixtrans-58.9-28.9177.8-174.3176.462.5-174.9-2.3113.4F160 Y171 W181F160-R175 HydrophobicContact CE1-CB 4.01Å; Y171-R175 PolarHBondContact O-N 3.25Å; R175-W181 HydrophobicContact CB-CH2 4.32Å; R175-W181 HydrophobicContact CB-CZ2 4.31Å; R175-W181 HydrophobicContact CG-CZ2 4.4Å
176K92.7Very high91.3Very high172 Ų17261.1 Ų61.175%0.74832%0.316SS*.Hα-helixtrans-73.6-26.3176.8-77.9175.6-179.8-176.10113.6P172 L173 M174P172-K176 WeakPolarHBondContact O-CG 3.46Å; P172-K176 PolarHBondContact O-N 3.08Å; L173-K176 PolarHBondContact O-N 3.14Å; M174-K176 PolarHBondContact O-N 3.14Å; M174-K176 VanDerWaalsContact O-N 3.16Å
177I94.2Very high92.3Very high65 Ų6559.5 Ų59.533%0.33331%0.305SS..Hα-helixtrans-105.5-18.7-174.765.1173000112.8L173 M174 N185 R187 T188 L191L173-I177 PolarHBondContact O-N 3.04Å; M174-I177 VanDerWaalsContact O-CG1 3.23Å; M174-I177 WeakPolarHBondContact O-CG1 3.39Å; M174-I177 PolarHBondContact O-N 3.15Å; I177-N185 PolarHBondContact O-ND2 3.27Å; I177-R187 HydrophobicContact CD1-CB 3.81Å; I177-R187 HydrophobicContact CD1-CG 3.7Å; I177-T188 HydrophobicContact CD1-CG2 4.08Å; I177-L191 HydrophobicContact CD1-CD1 3.72Å
178I91.9Very high93.1Very high14 Ų1458.3 Ų58.37%0.07230%0.3CS..  trans-96.4114.3177.4-60.9166.1000108M174 S180 W181 N185 T188M174-I178 HydrophobicContact CB-CD1 3.96Å; M174-I178 WeakPolarHBondContact O-CB 3.49Å; M174-I178 VanDerWaalsContact O-CG1 3.3Å; M174-I178 WeakPolarHBondContact O-CG1 3.28Å; M174-I178 PolarHBondContact O-N 3.03Å; I178-S180 VanDerWaalsContact CG2-C 3.41Å; I178-S180 WeakPolarHBondContact CG2-O 3.28Å; I178-W181 HydrophobicContact CB-CE3 4.5Å; I178-W181 HydrophobicContact CB-CZ3 4.49Å; I178-W181 HydrophobicContact CD1-CE3 3.59Å; I178-W181 HydrophobicContact CD1-CH2 4.07Å; I178-W181 HydrophobicContact CD1-CZ3 3.22Å; I178-W181 HydrophobicContact CG1-CZ3 4.47Å; I178-W181 HydrophobicContact CG2-CD2 4.19Å; I178-W181 HydrophobicContact CG2-CE3 3.94Å; I178-W181 HydrophobicContact CG2-CZ3 4.42Å; I178-N185 HydrophobicContact CG1-CB 4.37Å; I178-T188 HydrophobicContact CD1-CG2 3.51Å; I178-T188 HydrophobicContact CG1-CG2 3.83Å
179G85.8Confident93.9Very high88 Ų8856.2 Ų56.291%0.90729%0.291SS*.SBendtrans-75.9-42.4173.300000112.7
180S93.4Very high94.5Very high52 Ų5249.1 Ų49.136%0.36426%0.263SS..SBendtrans-132.4134.8173.7171.10000109.1I178 E182 T183I178-S180 VanDerWaalsContact CG2-C 3.41Å; I178-S180 WeakPolarHBondContact CG2-O 3.28Å; S180-E182 PolarHBondContact O-N 3.47Å; S180-E182 VanDerWaalsContact O-N 3.17Å; S180-E182 PolarHBondContact OG-N 3.37Å; S180-T183 WeakPolarHBondContact O-CB 3.5Å; S180-T183 PolarHBondContact O-N 3.36Å
181W94.2Very high94.7Very high27 Ų2749.8 Ų49.810%0.10227%0.266CS..THydrogen-bonded Turntrans-63.7-18-179.5-64.1109.9000113.4R97 Y150 L153 F160 R175 I178R97-W181 PolarHBondContact NH1-O 3.45Å; R97-W181 PolarHBondContact NH2-O 2.94Å; Y150-W181 VanDerWaalsContact CD2-C 3.49Å; Y150-W181 HydrophobicContact CD2-CB 3.93Å; Y150-W181 WeakPolarHBondContact CD2-O 3.2Å; Y150-W181 HydrophobicContact CE2-CB 4.02Å; L153-W181 HydrophobicContact CB-CD2 3.88Å; L153-W181 HydrophobicContact CB-CE3 4Å; L153-W181 HydrophobicContact CB-CH2 3.75Å; L153-W181 HydrophobicContact CB-CZ2 3.6Å; L153-W181 HydrophobicContact CB-CZ3 3.91Å; L153-W181 HydrophobicContact CD1-CE3 4.17Å; L153-W181 HydrophobicContact CD1-CZ3 4.38Å; L153-W181 HydrophobicContact CD2-CE3 4.24Å; L153-W181 HydrophobicContact CD2-CH2 3.82Å; L153-W181 HydrophobicContact CD2-CZ3 3.63Å; L153-W181 HydrophobicContact CG-CE3 4.36Å; L153-W181 HydrophobicContact CG-CH2 4.37Å; L153-W181 HydrophobicContact CG-CZ3 4.19Å; F160-W181 HydrophobicContact CZ-CH2 4.05Å; F160-W181 AromaticContact CZ-CZ2 3.93Å; F160-W181 HydrophobicContact CZ-CZ2 3.93Å; R175-W181 HydrophobicContact CB-CH2 4.32Å; R175-W181 HydrophobicContact CB-CZ2 4.31Å; R175-W181 HydrophobicContact CG-CZ2 4.4Å; I178-W181 HydrophobicContact CB-CE3 4.5Å; I178-W181 HydrophobicContact CB-CZ3 4.49Å; I178-W181 HydrophobicContact CD1-CE3 3.59Å; I178-W181 HydrophobicContact CD1-CH2 4.07Å; I178-W181 HydrophobicContact CD1-CZ3 3.22Å; I178-W181 HydrophobicContact CG1-CZ3 4.47Å; I178-W181 HydrophobicContact CG2-CD2 4.19Å; I178-W181 HydrophobicContact CG2-CE3 3.94Å; I178-W181 HydrophobicContact CG2-CZ3 4.42Å
182E95.7Very high94.9Very high91 Ų9149.7 Ų49.743%0.42527%0.265SS..THydrogen-bonded Turntrans-72.7-35.4173.3-172.2176.2-170.700112.2R141 V148 Y150 S180 F184R141-E182 PolarHBondContact NE-O 3.3Å; R141-E182 VanDerWaalsContact NE-O 3.12Å; V148-E182 HydrophobicContact CB-CG 4.3Å; V148-E182 HydrophobicContact CG1-CG 3.95Å; Y150-E182 HydrophobicContact CD1-CB 4.1Å; Y150-E182 HydrophobicContact CD1-CG 3.98Å; Y150-E182 HydrophobicContact CD2-CB 4.39Å; Y150-E182 HydrophobicContact CE1-CB 3.69Å; Y150-E182 HydrophobicContact CE1-CG 3.61Å; Y150-E182 HydrophobicContact CE2-CB 4.01Å; Y150-E182 HydrophobicContact CG-CB 4.44Å; S180-E182 PolarHBondContact O-N 3.47Å; S180-E182 VanDerWaalsContact O-N 3.17Å; S180-E182 PolarHBondContact OG-N 3.37Å; E182-F184 PolarHBondContact O-N 3.13Å
183T96.1Very high95.3Very high83 Ų8347.9 Ų47.951%0.50925%0.254SS..SBendtrans-66.5132.4-174.8-56.60000110.9R97 S180 N185R97-T183 PolarHBondContact NH2-O 3.02Å; S180-T183 WeakPolarHBondContact O-CB 3.5Å; S180-T183 PolarHBondContact O-N 3.36Å; T183-N185 PolarHBondContact O-N 3.1Å
184F97.5Very high95.5Very high60 Ų6044.8 Ų44.826%0.26324%0.24SC..  trans-68.3122.6173.2177.5-133.4000111.2E89 K93 E95 E182 P186E89-F184 HydrophobicContact CB-CZ 4.35Å; E89-F184 HydrophobicContact CG-CZ 4.32Å; K93-F184 HydrophobicContact CB-CB 4.31Å; K93-F184 HydrophobicContact CB-CD1 3.8Å; K93-F184 HydrophobicContact CB-CD2 3.89Å; K93-F184 HydrophobicContact CB-CE1 3.96Å; K93-F184 HydrophobicContact CB-CE2 4.07Å; K93-F184 HydrophobicContact CB-CG 3.74Å; K93-F184 HydrophobicContact CB-CZ 4.08Å; K93-F184 HydrophobicContact CD-CD1 4.3Å; K93-F184 HydrophobicContact CG-CD1 3.88Å; K93-F184 HydrophobicContact CG-CE1 3.99Å; K93-F184 HydrophobicContact CG-CG 4.3Å; K93-F184 WeakPolarHBondContact O-CD2 3.3Å; K93-F184 WeakPolarHBondContact O-CE2 3.23Å; E95-F184 HydrophobicContact CG-CD2 3.9Å; E95-F184 HydrophobicContact CG-CE2 3.99Å; E95-F184 WeakPolarHBondContact OE1-CA 3.42Å; E182-F184 PolarHBondContact O-N 3.13Å; F184-P186 HydrophobicContact CE1-CB 4.29Å; F184-P186 HydrophobicContact CE1-CG 3.92Å; F184-P186 HydrophobicContact CE2-CB 3.8Å; F184-P186 HydrophobicContact CE2-CG 4.19Å; F184-P186 HydrophobicContact CZ-CB 3.53Å; F184-P186 HydrophobicContact CZ-CG 3.68Å
185N97.8Very high95.6Very high39 Ų3945.7 Ų45.721%0.20924%0.243CC..  trans-13792.6170.2-168.3-18.5000110.7E95 I177 I178 T183 R187 T188E95-N185 PolarHBondContact OE1-N 2.89Å; I177-N185 PolarHBondContact O-ND2 3.27Å; I178-N185 HydrophobicContact CG1-CB 4.37Å; T183-N185 PolarHBondContact O-N 3.1Å; N185-R187 PolarHBondContact O-N 3.38Å; N185-R187 WeakPolarHBondContact OD1-CB 3.16Å; N185-R187 PolarHBondContact OD1-N 3.36Å; N185-T188 WeakPolarHBondContact O-CG2 3.3Å; N185-T188 PolarHBondContact O-N 2.76Å; N185-T188 VanDerWaalsContact O-N 3.15Å; N185-T188 PolarHBondContact O-OG1 3.06Å
186P97.8Very high95.9Very high24 Ų2439.1 Ų39.116%0.15622%0.218CC..THydrogen-bonded Turntrans-64.5-10.1-175.825.4-32.8000113.8E89 F184 T188 N189 V190 G229 A230E89-P186 HydrophobicContact CG-CB 4.05Å; F184-P186 HydrophobicContact CE1-CB 4.29Å; F184-P186 HydrophobicContact CE1-CG 3.92Å; F184-P186 HydrophobicContact CE2-CB 3.8Å; F184-P186 HydrophobicContact CE2-CG 4.19Å; F184-P186 HydrophobicContact CZ-CB 3.53Å; F184-P186 HydrophobicContact CZ-CG 3.68Å; P186-T188 PolarHBondContact O-N 2.66Å; P186-T188 VanDerWaalsContact O-N 3.16Å; P186-N189 WeakPolarHBondContact O-CB 3.42Å; P186-N189 PolarHBondContact O-N 3.28Å; P186-N189 VanDerWaalsContact O-N 3.15Å; P186-V190 PolarHBondContact O-N 3.42Å; P186-G229 CarbonylContact C-O 3.53Å; P186-A230 HydrophobicContact CB-CB 3.67Å; P186-A230 HydrophobicContact CG-CB 3.73Å
187R97.8Very high96.1Very high51 Ų5130.9 Ų30.919%0.19218%0.183CC..Hα-helixtrans-62.2-21.7175.3-173.564.5-177.382.8-11112.3I177 N185 V190 L191 T225 K226 W228 G229I177-R187 HydrophobicContact CD1-CB 3.81Å; I177-R187 HydrophobicContact CD1-CG 3.7Å; N185-R187 PolarHBondContact O-N 3.38Å; N185-R187 WeakPolarHBondContact OD1-CB 3.16Å; N185-R187 PolarHBondContact OD1-N 3.36Å; R187-V190 WeakPolarHBondContact O-CB 3.27Å; R187-V190 PolarHBondContact O-N 3.39Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.12Å; R187-T225 PolarHBondContact NH2-O 2.84Å; R187-K226 PolarHBondContact NH2-O 2.91Å; R187-W228 WeakPolarHBondContact CD-O 3.3Å; R187-W228 PolarHBondContact NE-O 2.9Å; R187-W228 VanDerWaalsContact NE-O 3.12Å; R187-G229 WeakPolarHBondContact CA-O 3.44Å; R187-G229 PolarHBondContact N-O 3.3Å
188T97.8Very high96.2Very high0 Ų028.4 Ų28.40%017%0.17CC..Hα-helixtrans-63.3-44.6173.6590000111.8E95 M174 I177 I178 N185 P186 V190 L191 W192E95-T188 WeakPolarHBondContact CG-OG1 3.41Å; E95-T188 WeakPolarHBondContact OE2-CB 3.5Å; E95-T188 VanDerWaalsContact OE2-CG2 3.24Å; E95-T188 WeakPolarHBondContact OE2-CG2 3.41Å; E95-T188 PolarHBondContact OE2-OG1 3.05Å; M174-T188 HydrophobicContact CB-CG2 4.35Å; M174-T188 HydrophobicContact CG-CG2 4.01Å; M174-T188 HydrophobicContact SD-CG2 4.2Å; I177-T188 HydrophobicContact CD1-CG2 4.08Å; I178-T188 HydrophobicContact CD1-CG2 3.51Å; I178-T188 HydrophobicContact CG1-CG2 3.83Å; N185-T188 WeakPolarHBondContact O-CG2 3.3Å; N185-T188 PolarHBondContact O-N 2.76Å; N185-T188 VanDerWaalsContact O-N 3.15Å; N185-T188 PolarHBondContact O-OG1 3.06Å; P186-T188 PolarHBondContact O-N 2.66Å; P186-T188 VanDerWaalsContact O-N 3.16Å; T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 3.31Å; T188-L191 WeakPolarHBondContact O-CB 3.31Å; T188-L191 PolarHBondContact O-N 3.32Å; T188-L191 VanDerWaalsContact O-N 3.1Å; T188-W192 VanDerWaalsContact O-CD1 3.28Å; T188-W192 PolarHBondContact O-N 3.29Å
189N98.3Very high96.4Very high0 Ų030 Ų300%018%0.177CC..Hα-helixtrans-57.1-44.2172.3-67.3-23.7000111.1L85 E89 F94 E95 H96 P186 L191 W192 I193L85-N189 HydrophobicContact CD1-CB 4.11Å; L85-N189 HydrophobicContact CD2-CB 4.24Å; E89-N189 WeakPolarHBondContact CG-ND2 3.38Å; E89-N189 PolarHBondContact OE1-ND2 3.1Å; F94-N189 PolarHBondContact O-ND2 3.36Å; E95-N189 VanDerWaalsContact CA-OD1 3.31Å; E95-N189 WeakPolarHBondContact CA-OD1 3.5Å; H96-N189 PolarHBondContact N-OD1 3.43Å; P186-N189 WeakPolarHBondContact O-CB 3.42Å; P186-N189 PolarHBondContact O-N 3.28Å; P186-N189 VanDerWaalsContact O-N 3.15Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 2.88Å; N189-W192 WeakPolarHBondContact O-CB 3.33Å; N189-W192 PolarHBondContact O-N 3.11Å; N189-W192 VanDerWaalsContact O-N 3.13Å; N189-I193 WeakPolarHBondContact O-CG1 3.23Å; N189-I193 PolarHBondContact O-N 3.17Å
190V98Very high97Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-62.8-35.4177.7-179.50000112P186 R187 T188 I193 A194 T225 W228P186-V190 PolarHBondContact O-N 3.42Å; R187-V190 WeakPolarHBondContact O-CB 3.27Å; R187-V190 PolarHBondContact O-N 3.39Å; T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 3.31Å; V190-I193 PolarHBondContact O-N 2.49Å; V190-A194 PolarHBondContact O-N 3.39Å; V190-T225 WeakPolarHBondContact CG1-O 3.3Å; V190-W228 HydrophobicContact CG1-CB 3.92Å; V190-W228 HydrophobicContact CG1-CE3 4.23Å; V190-W228 HydrophobicContact CG2-CB 4.18Å
191L97.7Very high97.1Very high22 Ų2223.3 Ų23.312%0.11512%0.116CC..Hα-helixtrans-62.4-43.5173.9-68.4173.3000111.2V170 L173 M174 I177 R187 T188 N189 A194 Y195V170-L191 HydrophobicContact CG1-CB 3.98Å; L173-L191 HydrophobicContact CB-CD1 3.7Å; L173-L191 HydrophobicContact CB-CD2 4.15Å; L173-L191 HydrophobicContact CD1-CD2 4.1Å; M174-L191 HydrophobicContact CG-CD1 3.85Å; I177-L191 HydrophobicContact CD1-CD1 3.72Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.12Å; T188-L191 WeakPolarHBondContact O-CB 3.31Å; T188-L191 PolarHBondContact O-N 3.32Å; T188-L191 VanDerWaalsContact O-N 3.1Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 2.88Å; L191-A194 WeakPolarHBondContact O-CB 3.39Å; L191-A194 PolarHBondContact O-N 3.12Å; L191-A194 VanDerWaalsContact O-N 3.16Å; L191-Y195 PolarHBondContact O-N 3.3Å
192W98Very high97.2Very high1 Ų127.2 Ų27.20%0.00414%0.135CC..Hα-helixtrans-64.9-38.3175.4-75111000113.1R97 L99 H100 Q167 V170 Y171 M174 T188 N189 A194 Y195 L196R97-W192 VanDerWaalsContact O-CZ2 3.28Å; R97-W192 WeakPolarHBondContact O-CZ2 3.37Å; R97-W192 PolarHBondContact O-NE1 3.46Å; L99-W192 HydrophobicContact CB-CB 3.84Å; L99-W192 HydrophobicContact CB-CD2 4.02Å; L99-W192 HydrophobicContact CB-CE3 4.33Å; L99-W192 HydrophobicContact CB-CG 3.8Å; L99-W192 HydrophobicContact CD2-CB 4.32Å; H100-W192 HydrophobicContact CB-CH2 4.34Å; H100-W192 HydrophobicContact CB-CZ3 3.84Å; Q167-W192 HydrophobicContact CB-CH2 4.3Å; Q167-W192 HydrophobicContact CB-CZ3 4.21Å; V170-W192 HydrophobicContact CB-CD2 4.49Å; V170-W192 HydrophobicContact CB-CE3 4.41Å; V170-W192 HydrophobicContact CB-CH2 4.08Å; V170-W192 HydrophobicContact CB-CZ2 4.12Å; V170-W192 HydrophobicContact CB-CZ3 4.21Å; V170-W192 HydrophobicContact CG1-CD2 3.77Å; V170-W192 HydrophobicContact CG1-CE3 4.14Å; V170-W192 HydrophobicContact CG1-CG 4.24Å; V170-W192 HydrophobicContact CG1-CH2 4.26Å; V170-W192 HydrophobicContact CG1-CZ2 3.86Å; V170-W192 HydrophobicContact CG1-CZ3 4.37Å; V170-W192 HydrophobicContact CG2-CE3 4.21Å; V170-W192 HydrophobicContact CG2-CH2 4.46Å; V170-W192 HydrophobicContact CG2-CZ3 4.11Å; Y171-W192 HydrophobicContact CD1-CZ2 4.22Å; Y171-W192 HydrophobicContact CE1-CH2 4.02Å; Y171-W192 AromaticContact CE1-CZ2 3.71Å; Y171-W192 HydrophobicContact CE1-CZ2 3.71Å; Y171-W192 AromaticContact CZ-CH2 3.95Å; M174-W192 HydrophobicContact CE-CZ2 4.12Å; M174-W192 PolarHBondContact SD-NE1 2.92Å; T188-W192 VanDerWaalsContact O-CD1 3.28Å; T188-W192 PolarHBondContact O-N 3.29Å; N189-W192 WeakPolarHBondContact O-CB 3.33Å; N189-W192 PolarHBondContact O-N 3.11Å; N189-W192 VanDerWaalsContact O-N 3.13Å; W192-A194 VanDerWaalsContact C-N 3.29Å; W192-A194 PolarHBondContact O-N 2.68Å; W192-Y195 AromaticContact CE3-CD1 3.82Å; W192-Y195 HydrophobicContact CE3-CD1 3.82Å; W192-Y195 HydrophobicContact CE3-CE1 4.36Å; W192-Y195 HydrophobicContact CE3-CG 4.15Å; W192-Y195 HydrophobicContact CZ3-CD1 4.12Å; W192-Y195 HydrophobicContact CZ3-CE1 4.31Å; W192-Y195 HydrophobicContact CZ3-CG 4.34Å; W192-Y195 WeakPolarHBondContact O-CB 3.35Å; W192-Y195 PolarHBondContact O-N 3.19Å; W192-L196 WeakPolarHBondContact O-CB 3.14Å; W192-L196 PolarHBondContact O-N 3.25Å
193I97.8Very high97.2Very high0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-62.5-37.8171.6-66.1-55.1000111.6L78 M81 I82 L85 N189 V190 L196 A197 F221 T225 W228L78-I193 HydrophobicContact CD2-CG2 4.3Å; M81-I193 HydrophobicContact CB-CD1 3.76Å; I82-I193 HydrophobicContact CD1-CG2 3.9Å; I82-I193 HydrophobicContact CG1-CD1 3.7Å; I82-I193 HydrophobicContact CG1-CG1 3.86Å; I82-I193 HydrophobicContact CG1-CG2 3.85Å; L85-I193 HydrophobicContact CD1-CD1 3.79Å; L85-I193 HydrophobicContact CD1-CG1 4.01Å; N189-I193 WeakPolarHBondContact O-CG1 3.23Å; N189-I193 PolarHBondContact O-N 3.17Å; V190-I193 PolarHBondContact O-N 2.49Å; I193-L196 HydrophobicContact CD1-CD2 4.49Å; I193-L196 PolarHBondContact O-N 2.9Å; I193-A197 WeakPolarHBondContact O-CB 3.29Å; I193-A197 PolarHBondContact O-N 3.12Å; I193-F221 HydrophobicContact CG2-CE1 3.91Å; I193-F221 HydrophobicContact CG2-CZ 4.29Å; I193-T225 HydrophobicContact CG2-CG2 4.26Å; I193-W228 HydrophobicContact CG2-CZ3 4.31Å
194A97Very high97.2Very high14 Ų1426 Ų2612%0.11612%0.124CC..Hα-helixtrans-66.6-38.2175.700000112V190 L191 W192 D198 K222 T225V190-A194 PolarHBondContact O-N 3.39Å; L191-A194 WeakPolarHBondContact O-CB 3.39Å; L191-A194 PolarHBondContact O-N 3.12Å; L191-A194 VanDerWaalsContact O-N 3.16Å; W192-A194 VanDerWaalsContact C-N 3.29Å; W192-A194 PolarHBondContact O-N 2.68Å; A194-D198 PolarHBondContact O-N 3.01Å; A194-K222 HydrophobicContact CB-CG 4.15Å; A194-T225 VanDerWaalsContact CB-OG1 3.31Å; A194-T225 WeakPolarHBondContact CB-OG1 3.25Å
195Y97.2Very high97.1Very high18 Ų1823.9 Ų23.97%0.07111%0.114CC..Hα-helixtrans-61.7-48.6171.3158.2-88.1000111.1H100 V101 M166 Q167 V170 L191 W192 A197 D198 F199H100-Y195 HydrophobicContact CB-CE1 4.2Å; V101-Y195 HydrophobicContact CG1-CE1 4Å; M166-Y195 HydrophobicContact CB-CD2 3.96Å; M166-Y195 HydrophobicContact CB-CE2 3.59Å; Q167-Y195 HydrophobicContact CB-CE2 3.9Å; V170-Y195 HydrophobicContact CG2-CD2 3.99Å; V170-Y195 HydrophobicContact CG2-CG 4.02Å; L191-Y195 PolarHBondContact O-N 3.3Å; W192-Y195 AromaticContact CE3-CD1 3.82Å; W192-Y195 HydrophobicContact CE3-CD1 3.82Å; W192-Y195 HydrophobicContact CE3-CE1 4.36Å; W192-Y195 HydrophobicContact CE3-CG 4.15Å; W192-Y195 HydrophobicContact CZ3-CD1 4.12Å; W192-Y195 HydrophobicContact CZ3-CE1 4.31Å; W192-Y195 HydrophobicContact CZ3-CG 4.34Å; W192-Y195 WeakPolarHBondContact O-CB 3.35Å; W192-Y195 PolarHBondContact O-N 3.19Å; Y195-A197 VanDerWaalsContact C-N 3.34Å; Y195-A197 PolarHBondContact O-N 2.89Å; Y195-D198 WeakPolarHBondContact O-CA 3Å; Y195-D198 WeakPolarHBondContact O-CB 3.44Å; Y195-D198 PolarHBondContact O-N 3.43Å; Y195-F199 PolarHBondContact O-N 2.76Å
196L97.6Very high97.1Very high0 Ų030.6 Ų30.60%014%0.137CC..Hα-helixtrans-61-42.4-179.3179.657.8000111.7L63 I77 L78 M81 V101 I104 W192 I193 D198 F199 L200L63-L196 HydrophobicContact CD2-CD1 3.48Å; L63-L196 VanDerWaalsContact CD2-CD1 3.48Å; I77-L196 HydrophobicContact CG2-CD1 4.49Å; I77-L196 HydrophobicContact CG2-CD2 4.29Å; L78-L196 HydrophobicContact CD2-CB 4.19Å; L78-L196 HydrophobicContact CD2-CD2 3.95Å; L78-L196 HydrophobicContact CD2-CG 3.83Å; M81-L196 HydrophobicContact CB-CD2 4.13Å; M81-L196 HydrophobicContact CG-CD2 3.77Å; V101-L196 HydrophobicContact CG1-CD1 4.24Å; I104-L196 HydrophobicContact CD1-CD1 3.93Å; I104-L196 HydrophobicContact CD1-CD2 3.91Å; W192-L196 WeakPolarHBondContact O-CB 3.14Å; W192-L196 PolarHBondContact O-N 3.25Å; I193-L196 HydrophobicContact CD1-CD2 4.49Å; I193-L196 PolarHBondContact O-N 2.9Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 3Å; L196-F199 PolarHBondContact O-N 3.22Å; L196-L200 HydrophobicContact CD1-CD1 4.2Å; L196-L200 HydrophobicContact CD1-CG 4.28Å; L196-L200 HydrophobicContact CG-CD1 4.09Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.2Å
197A97.1Very high96.9Very high0 Ų035.7 Ų35.70%016%0.163CC..Hα-helixtrans-62-35.4174.900000112.6L78 I193 Y195 A201 F221 K222L78-A197 HydrophobicContact CD1-CB 4.34Å; L78-A197 HydrophobicContact CD2-CB 4.08Å; I193-A197 WeakPolarHBondContact O-CB 3.29Å; I193-A197 PolarHBondContact O-N 3.12Å; Y195-A197 VanDerWaalsContact C-N 3.34Å; Y195-A197 PolarHBondContact O-N 2.89Å; A197-A201 PolarHBondContact O-N 3.5Å; A197-A201 VanDerWaalsContact O-N 3.16Å; A197-F221 HydrophobicContact CB-CD1 3.71Å; A197-F221 HydrophobicContact CB-CE1 4.17Å; A197-K222 HydrophobicContact CB-CB 4.08Å
198D96Very high96.8Very high12 Ų1242.7 Ų42.76%0.06419%0.189CC..Hα-helixtrans-70.8-44.2176.3-159.184.4000112.3M166 A194 Y195 L196 L200 A201 H202 F219 K222M166-D198 VanDerWaalsContact CE-OD2 3.23Å; M166-D198 WeakPolarHBondContact CE-OD2 3.48Å; A194-D198 PolarHBondContact O-N 3.01Å; Y195-D198 WeakPolarHBondContact O-CA 3Å; Y195-D198 WeakPolarHBondContact O-CB 3.44Å; Y195-D198 PolarHBondContact O-N 3.43Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-D198 PolarHBondContact O-N 3Å; D198-L200 PolarHBondContact O-N 2.99Å; D198-A201 WeakPolarHBondContact O-CB 3.28Å; D198-A201 PolarHBondContact O-N 3.06Å; D198-A201 VanDerWaalsContact O-N 3.15Å; D198-H202 PolarHBondContact O-N 2.9Å; D198-H202 PolarHBondContact O-ND1 3.39Å; D198-H202 IonicContact OD2-CE1 2.74Å; D198-H202 PolarHBondContact OD2-CE1 3.15Å; D198-H202 IonicContact OD2-ND1 3.44Å; D198-H202 PolarHBondContact OD2-ND1 2.79Å; D198-F219 WeakPolarHBondContact OD1-CE1 3.24Å; D198-K222 HydrophobicContact CB-CD 4.02Å; D198-K222 VanDerWaalsContact CG-NZ 3.31Å; D198-K222 IonicContact OD1-NZ 3.38Å; D198-K222 PolarHBondContact OD1-NZ 2.89Å
199F96.6Very high96.7Very high48 Ų4850.1 Ų50.121%0.21122%0.222CC..Hα-helixtrans-55.4-51.3172.9170.8-92.2000110.7L63 V101 Y195 L196 A201 H202 A203L63-F199 HydrophobicContact CD1-CE1 4.5Å; L63-F199 HydrophobicContact CD2-CE1 4.3Å; L63-F199 HydrophobicContact CG-CE1 3.99Å; V101-F199 HydrophobicContact CB-CD2 4.47Å; V101-F199 HydrophobicContact CB-CE1 4.41Å; V101-F199 HydrophobicContact CB-CE2 4.25Å; V101-F199 HydrophobicContact CB-CZ 4.21Å; V101-F199 HydrophobicContact CG1-CB 4.15Å; V101-F199 HydrophobicContact CG1-CD1 3.55Å; V101-F199 HydrophobicContact CG1-CD2 3.71Å; V101-F199 HydrophobicContact CG1-CE1 3.77Å; V101-F199 HydrophobicContact CG1-CE2 3.91Å; V101-F199 HydrophobicContact CG1-CG 3.51Å; V101-F199 HydrophobicContact CG1-CZ 3.94Å; V101-F199 HydrophobicContact CG2-CD2 4.15Å; V101-F199 HydrophobicContact CG2-CE2 3.82Å; V101-F199 HydrophobicContact CG2-CZ 4.19Å; Y195-F199 PolarHBondContact O-N 2.76Å; L196-F199 PolarHBondContact O-N 3.22Å; F199-A201 PolarHBondContact O-N 3.36Å; F199-H202 CarbonylContact O-C 3.52Å; F199-H202 PolarHBondContact O-N 3.04Å; F199-A203 HydrophobicContact CE1-CB 4.26Å; F199-A203 WeakPolarHBondContact O-CB 3.4Å; F199-A203 PolarHBondContact O-N 2.96Å
200L97.5Very high96.5Very high0 Ų050.8 Ų50.80%023%0.225CC..Hα-helixtrans-62.3-27.8-179.7-69.5168.6000112.4L68 A74 L78 L196 D198 Y205 L218L68-L200 HydrophobicContact CD1-CD2 3.73Å; L68-L200 HydrophobicContact CD2-CD2 4.47Å; A74-L200 HydrophobicContact CB-CB 4.34Å; A74-L200 HydrophobicContact CB-CD1 4.18Å; A74-L200 HydrophobicContact CB-CD2 3.98Å; A74-L200 HydrophobicContact CB-CG 4.39Å; A74-L200 WeakPolarHBondContact O-CD1 3.34Å; L78-L200 HydrophobicContact CD1-CD1 3.85Å; L78-L200 HydrophobicContact CD2-CD1 4.15Å; L78-L200 HydrophobicContact CG-CD1 3.57Å; L196-L200 HydrophobicContact CD1-CD1 4.2Å; L196-L200 HydrophobicContact CD1-CG 4.28Å; L196-L200 HydrophobicContact CG-CD1 4.09Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 VanDerWaalsContact O-CG 3.26Å; L196-L200 WeakPolarHBondContact O-CG 3.25Å; L196-L200 PolarHBondContact O-N 3.2Å; D198-L200 PolarHBondContact O-N 2.99Å; L200-Y205 WeakPolarHBondContact O-CE2 3.49Å; L200-Y205 PolarHBondContact O-OH 2.7Å; L200-L218 HydrophobicContact CB-CD1 4.12Å; L200-L218 WeakPolarHBondContact O-CD1 3.22Å
201A96.6Very high96.4Very high0 Ų054.5 Ų54.50%025%0.249CC..Hα-helixtrans-72.3-29.917500000112.8A197 D198 F199 K215 L218 F219A197-A201 PolarHBondContact O-N 3.5Å; A197-A201 VanDerWaalsContact O-N 3.16Å; D198-A201 WeakPolarHBondContact O-CB 3.28Å; D198-A201 PolarHBondContact O-N 3.06Å; D198-A201 VanDerWaalsContact O-N 3.15Å; F199-A201 PolarHBondContact O-N 3.36Å; A201-K215 VanDerWaalsContact O-CE 3.29Å; A201-K215 WeakPolarHBondContact O-CE 3.35Å; A201-K215 WeakPolarHBondContact O-CG 3.2Å; A201-L218 HydrophobicContact CB-CB 3.86Å; A201-L218 HydrophobicContact CB-CD1 4.11Å; A201-F219 HydrophobicContact CB-CD1 4.12Å; A201-F219 HydrophobicContact CB-CE1 3.63Å; A201-F219 HydrophobicContact CB-CE2 4.31Å; A201-F219 HydrophobicContact CB-CZ 3.74Å
202H95.1Very high96.4Very high109 Ų10960.2 Ų60.251%0.50528%0.275SS..Hα-helixtrans-95.5-16.7179.6-67.498.3000113.9D198 F199 F219D198-H202 PolarHBondContact O-N 2.9Å; D198-H202 PolarHBondContact O-ND1 3.39Å; D198-H202 IonicContact OD2-CE1 2.74Å; D198-H202 PolarHBondContact OD2-CE1 3.15Å; D198-H202 IonicContact OD2-ND1 3.44Å; D198-H202 PolarHBondContact OD2-ND1 2.79Å; F199-H202 CarbonylContact O-C 3.52Å; F199-H202 PolarHBondContact O-N 3.04Å; H202-F219 AromaticContact CE1-CE1 3.77Å; H202-F219 AromaticContact CE1-CZ 3.61Å; H202-F219 AromaticContact NE2-CZ 3.92Å
203A95.7Very high96.2Very high14 Ų1463.6 Ų63.612%0.11630%0.304CS..SBendtrans-60.3159.6179.500000113.3L68 F199 Y205L68-A203 HydrophobicContact CD1-CB 3.74Å; F199-A203 HydrophobicContact CE1-CB 4.26Å; F199-A203 WeakPolarHBondContact O-CB 3.4Å; F199-A203 PolarHBondContact O-N 2.96Å; A203-Y205 HydrophobicContact CB-CE2 4.07Å; A203-Y205 WeakPolarHBondContact O-CD2 3.5Å; A203-Y205 WeakPolarHBondContact O-CE2 3.33Å
204K95.8Very high96.1Very high135 Ų13567.9 Ų67.959%0.58732%0.322SS*.EExtended strand (participates in β ladder)trans-93.5136174.4-67.1-179.9-176.11730110.1R208K204-R208 CarbonylContact C-O 3.55Å; K204-R208 WeakPolarHBondContact CA-O 2.98Å
205Y97Very high96Very high15 Ų1568.7 Ų68.76%0.05932%0.323CS..EExtended strand (participates in β ladder)trans-116.8115.9178.2-64.7-108.5000107.9L68 S70 A74 L200 A203 N207 R208 L210L68-Y205 HydrophobicContact CB-CD1 3.73Å; L68-Y205 HydrophobicContact CB-CE1 3.9Å; L68-Y205 HydrophobicContact CB-CG 4.18Å; L68-Y205 HydrophobicContact CD1-CE1 4.06Å; L68-Y205 HydrophobicContact CD1-CE2 4.3Å; L68-Y205 HydrophobicContact CG-CE1 4.41Å; L68-Y205 CarbonylContact O-C 3.45Å; L68-Y205 WeakPolarHBondContact O-CA 3.48Å; S70-Y205 WeakPolarHBondContact O-CD1 3.3Å; S70-Y205 WeakPolarHBondContact O-CE1 3.38Å; A74-Y205 HydrophobicContact CB-CE1 3.99Å; A74-Y205 VanDerWaalsContact CB-OH 3.24Å; A74-Y205 WeakPolarHBondContact CB-OH 3.44Å; L200-Y205 WeakPolarHBondContact O-CE2 3.49Å; L200-Y205 PolarHBondContact O-OH 2.7Å; A203-Y205 HydrophobicContact CB-CE2 4.07Å; A203-Y205 WeakPolarHBondContact O-CD2 3.5Å; A203-Y205 WeakPolarHBondContact O-CE2 3.33Å; Y205-N207 PolarHBondContact O-N 3.15Å; Y205-R208 PolarHBondContact N-O 3.26Å; Y205-R208 PolarHBondContact O-N 2.94Å; Y205-L210 HydrophobicContact CD1-CD2 4.14Å; Y205-L210 HydrophobicContact CD2-CD1 4Å; Y205-L210 HydrophobicContact CD2-CD2 3.64Å; Y205-L210 HydrophobicContact CD2-CG 3.39Å; Y205-L210 HydrophobicContact CE1-CD1 4.45Å; Y205-L210 HydrophobicContact CE1-CD2 4.3Å; Y205-L210 HydrophobicContact CE2-CD1 3.37Å; Y205-L210 HydrophobicContact CE2-CD2 3.86Å; Y205-L210 HydrophobicContact CE2-CG 3.33Å; Y205-L210 HydrophobicContact CG-CD2 3.79Å; Y205-L210 HydrophobicContact CG-CG 4.09Å
206R95.8Very high96Very high180 Ų18070.3 Ų70.368%0.67934%0.34SS*.THydrogen-bonded Turntrans48.345.9-167.4-54.8-176.6-178.3157.70.3111.8L68 R208L68-R206 PolarHBondContact O-N 3.47Å; R206-R208 PolarHBondContact O-N 3.16Å; R206-R208 VanDerWaalsContact O-N 3.16Å
207N94.3Very high95.9Very high131 Ų13177.9 Ų77.970%0.70137%0.369SS*.THydrogen-bonded Turntrans62.910.7-175.9-57.7-38.3000116Y205Y205-N207 PolarHBondContact O-N 3.15Å
208R96.3Very high95.8Very high197 Ų19778.2 Ų78.274%0.74337%0.371SS*.EExtended strand (participates in β ladder)trans-114.3146.2178.8-62.1179.4-176.2-178.20.3111.2K204 Y205 R206K204-R208 CarbonylContact C-O 3.55Å; K204-R208 WeakPolarHBondContact CA-O 2.98Å; Y205-R208 PolarHBondContact N-O 3.26Å; Y205-R208 PolarHBondContact O-N 2.94Å; R206-R208 PolarHBondContact O-N 3.16Å; R206-R208 VanDerWaalsContact O-N 3.16Å
209K95.8Very high95.9Very high157 Ų15780.6 Ų80.668%0.68338%0.38SS*.EExtended strand (participates in β ladder)trans-66.1146.1171.1-67.8179.7178.61780109.6
210L94.7Very high95.8Very high13 Ų1379.7 Ų79.77%0.06838%0.381CS..PPolyproline II helixtrans-60.3142.1171.5-78.3176.4000111.4L71 Y205 K214 K215 L218L71-L210 HydrophobicContact CD1-CD1 4.28Å; Y205-L210 HydrophobicContact CD1-CD2 4.14Å; Y205-L210 HydrophobicContact CD2-CD1 4Å; Y205-L210 HydrophobicContact CD2-CD2 3.64Å; Y205-L210 HydrophobicContact CD2-CG 3.39Å; Y205-L210 HydrophobicContact CE1-CD1 4.45Å; Y205-L210 HydrophobicContact CE1-CD2 4.3Å; Y205-L210 HydrophobicContact CE2-CD1 3.37Å; Y205-L210 HydrophobicContact CE2-CD2 3.86Å; Y205-L210 HydrophobicContact CE2-CG 3.33Å; Y205-L210 HydrophobicContact CG-CD2 3.79Å; Y205-L210 HydrophobicContact CG-CG 4.09Å; L210-K214 HydrophobicContact CB-CB 4.34Å; L210-K214 HydrophobicContact CD1-CB 4.43Å; L210-K214 HydrophobicContact CD2-CB 4.15Å; L210-K214 HydrophobicContact CD2-CD 4.06Å; L210-K215 HydrophobicContact CB-CG 3.65Å; L210-K215 VanDerWaalsContact O-CE 3.24Å; L210-K215 WeakPolarHBondContact O-CE 3.37Å; L210-L218 HydrophobicContact CD1-CD1 3.79Å
211P95.8Very high95.7Very high79 Ų7980.7 Ų80.751%0.51339%0.386SS..PPolyproline II helixtrans-55.9148.1165.7-23.533.2000111.6A213 K214 K215P211-A213 VanDerWaalsContact C-N 3.26Å; P211-A213 PolarHBondContact O-N 2.89Å; P211-A213 VanDerWaalsContact O-N 3.16Å; P211-K214 PolarHBondContact O-N 3.24Å; P211-K215 PolarHBondContact O-N 3.16Å; P211-K215 VanDerWaalsContact O-N 3.08Å
212Q95.9Very high95.6Very high141 Ų14183.9 Ų83.966%0.65940%0.4SS*.Hα-helixtrans-55.5-39.2-174-170.463.92.900113.2K214 K215 A216Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.48Å; Q212-K215 PolarHBondContact O-N 2.97Å; Q212-A216 WeakPolarHBondContact O-CB 3.5Å; Q212-A216 PolarHBondContact O-N 3.12Å
213A95.4Very high95.7Very high73 Ų7386.4 Ų86.460%0.60341%0.405SS*.Hα-helixtrans-61.8-36.9176.500000113.1P211 R217P211-A213 VanDerWaalsContact C-N 3.26Å; P211-A213 PolarHBondContact O-N 2.89Å; P211-A213 VanDerWaalsContact O-N 3.16Å; A213-R217 PolarHBondContact O-N 3.02Å
214K94.4Very high95.6Very high90 Ų9092.3 Ų92.339%0.39142%0.424SS..Hα-helixtrans-74-39.4176.9-68.5-171.1-179.8-179.40111.2L71 L210 P211 Q212 A216 R217 L218L71-K214 HydrophobicContact CB-CD 4.49Å; L71-K214 HydrophobicContact CD2-CB 4.15Å; L71-K214 HydrophobicContact CD2-CD 4.19Å; L71-K214 HydrophobicContact CD2-CG 4.08Å; L210-K214 HydrophobicContact CB-CB 4.34Å; L210-K214 HydrophobicContact CD1-CB 4.43Å; L210-K214 HydrophobicContact CD2-CB 4.15Å; L210-K214 HydrophobicContact CD2-CD 4.06Å; P211-K214 PolarHBondContact O-N 3.24Å; Q212-K214 VanDerWaalsContact C-N 3.33Å; Q212-K214 PolarHBondContact O-N 3.48Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.1Å; K214-R217 WeakPolarHBondContact O-CB 3.48Å; K214-R217 PolarHBondContact O-N 3.45Å; K214-L218 PolarHBondContact O-N 2.85Å
215K96.2Very high95.5Very high30 Ų3086 Ų8613%0.1340%0.397CS..Hα-helixtrans-58.9-44172.1-66.7-172.3171.8-175.80112A201 L210 P211 Q212 R217 L218 F219A201-K215 VanDerWaalsContact O-CE 3.29Å; A201-K215 WeakPolarHBondContact O-CE 3.35Å; A201-K215 WeakPolarHBondContact O-CG 3.2Å; L210-K215 HydrophobicContact CB-CG 3.65Å; L210-K215 VanDerWaalsContact O-CE 3.24Å; L210-K215 WeakPolarHBondContact O-CE 3.37Å; P211-K215 PolarHBondContact O-N 3.16Å; P211-K215 VanDerWaalsContact O-N 3.08Å; Q212-K215 PolarHBondContact O-N 2.97Å; K215-R217 PolarHBondContact O-N 3.27Å; K215-L218 PolarHBondContact O-N 3.27Å; K215-F219 HydrophobicContact CB-CD2 4.29Å; K215-F219 HydrophobicContact CB-CE2 4Å; K215-F219 WeakPolarHBondContact O-CD2 3.48Å; K215-F219 PolarHBondContact O-N 3.27Å
216A96.3Very high95.3Very high52 Ų5292.8 Ų92.843%0.4343%0.427SS..Hα-helixtrans-57.4-32.8178.600000112.5Q212 K214 A220Q212-A216 WeakPolarHBondContact O-CB 3.5Å; Q212-A216 PolarHBondContact O-N 3.12Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.1Å; A216-A220 VanDerWaalsContact O-CB 3.23Å; A216-A220 WeakPolarHBondContact O-CB 3.05Å; A216-A220 PolarHBondContact O-N 2.95Å
217R95.2Very high95.2Very high160 Ų16089.1 Ų89.160%0.60443%0.429SS*.Hα-helixtrans-65.8-42.9174.5-65.2176.7-179.9-175.4-2.2112.2A213 K214 K215 A220 F221A213-R217 PolarHBondContact O-N 3.02Å; K214-R217 WeakPolarHBondContact O-CB 3.48Å; K214-R217 PolarHBondContact O-N 3.45Å; K215-R217 PolarHBondContact O-N 3.27Å; R217-A220 PolarHBondContact O-N 3.03Å; R217-F221 WeakPolarHBondContact O-CB 3.32Å; R217-F221 PolarHBondContact O-N 3.45Å
218L96.4Very high95.2Very high7 Ų784 Ų844%0.03740%0.4CS..Hα-helixtrans-69.8-38.6177-68.8169.4000111.8L71 L78 L200 A201 L210 K214 K215 F221 K222L71-L218 HydrophobicContact CD1-CD1 3.91Å; L71-L218 HydrophobicContact CD1-CD2 4.32Å; L71-L218 HydrophobicContact CD1-CG 4.07Å; L78-L218 HydrophobicContact CD1-CD2 3.94Å; L200-L218 HydrophobicContact CB-CD1 4.12Å; L200-L218 WeakPolarHBondContact O-CD1 3.22Å; A201-L218 HydrophobicContact CB-CB 3.86Å; A201-L218 HydrophobicContact CB-CD1 4.11Å; L210-L218 HydrophobicContact CD1-CD1 3.79Å; K214-L218 PolarHBondContact O-N 2.85Å; K215-L218 PolarHBondContact O-N 3.27Å; L218-F221 WeakPolarHBondContact O-CB 3.46Å; L218-F221 PolarHBondContact O-N 3.28Å; L218-K222 PolarHBondContact O-N 3.07Å
219F96.7Very high95.1Very high62 Ų6276.9 Ų76.927%0.27239%0.387SS..Hα-helixtrans-67.8-36.2173-66.5-46.8000113.1D198 A201 H202 K215 F221 K222 R223D198-F219 WeakPolarHBondContact OD1-CE1 3.24Å; A201-F219 HydrophobicContact CB-CD1 4.12Å; A201-F219 HydrophobicContact CB-CE1 3.63Å; A201-F219 HydrophobicContact CB-CE2 4.31Å; A201-F219 HydrophobicContact CB-CZ 3.74Å; H202-F219 AromaticContact CE1-CE1 3.77Å; H202-F219 AromaticContact CE1-CZ 3.61Å; H202-F219 AromaticContact NE2-CZ 3.92Å; K215-F219 HydrophobicContact CB-CD2 4.29Å; K215-F219 HydrophobicContact CB-CE2 4Å; K215-F219 WeakPolarHBondContact O-CD2 3.48Å; K215-F219 PolarHBondContact O-N 3.27Å; F219-F221 VanDerWaalsContact C-N 3.33Å; F219-K222 PolarHBondContact O-N 3.31Å; F219-R223 WeakPolarHBondContact O-CB 3.31Å; F219-R223 PolarHBondContact O-N 3.15Å
220A95.5Very high95.2Very high28 Ų2869.9 Ų69.923%0.23136%0.359CS..Hα-helixtrans-63.8-41.5171.900000110.9A216 R217 R223 R224A216-A220 VanDerWaalsContact O-CB 3.23Å; A216-A220 WeakPolarHBondContact O-CB 3.05Å; A216-A220 PolarHBondContact O-N 2.95Å; R217-A220 PolarHBondContact O-N 3.03Å; A220-R223 PolarHBondContact O-N 3.33Å; A220-R224 WeakPolarHBondContact O-CG 3.3Å; A220-R224 PolarHBondContact O-N 3.07Å; A220-R224 VanDerWaalsContact O-N 3.1Å
221F94.4Very high95.2Very high22 Ų2269.3 Ų69.310%0.09636%0.355CS..Hα-helixtrans-58.3-53.1172.4179.1-84.4000111.3L78 I82 I193 A197 R217 L218 F219 R223 R224 T225 W228 F234L78-F221 HydrophobicContact CD1-CD1 4.15Å; L78-F221 HydrophobicContact CD1-CE1 4.11Å; L78-F221 HydrophobicContact CD2-CE1 3.99Å; I82-F221 HydrophobicContact CD1-CE1 4.42Å; I82-F221 HydrophobicContact CD1-CE2 4.4Å; I82-F221 HydrophobicContact CD1-CZ 3.57Å; I193-F221 HydrophobicContact CG2-CE1 3.91Å; I193-F221 HydrophobicContact CG2-CZ 4.29Å; A197-F221 HydrophobicContact CB-CD1 3.71Å; A197-F221 HydrophobicContact CB-CE1 4.17Å; R217-F221 WeakPolarHBondContact O-CB 3.32Å; R217-F221 PolarHBondContact O-N 3.45Å; L218-F221 WeakPolarHBondContact O-CB 3.46Å; L218-F221 PolarHBondContact O-N 3.28Å; F219-F221 VanDerWaalsContact C-N 3.33Å; F221-R223 PolarHBondContact O-N 3.35Å; F221-R224 WeakPolarHBondContact O-CB 3.36Å; F221-R224 PolarHBondContact O-N 3.29Å; F221-T225 HydrophobicContact CD1-CG2 4.28Å; F221-T225 HydrophobicContact CE1-CG2 3.94Å; F221-T225 WeakPolarHBondContact O-CG2 3.44Å; F221-T225 PolarHBondContact O-N 2.77Å; F221-W228 HydrophobicContact CE1-CH2 4.22Å; F221-W228 AromaticContact CE2-CH2 3.83Å; F221-W228 HydrophobicContact CE2-CH2 3.83Å; F221-W228 AromaticContact CZ-CH2 3.51Å; F221-W228 HydrophobicContact CZ-CH2 3.51Å; F221-W228 HydrophobicContact CZ-CZ3 4.12Å; F221-F234 HydrophobicContact CE2-CE2 4.26Å; F221-F234 AromaticContact CE2-CZ 3.88Å; F221-F234 HydrophobicContact CE2-CZ 3.88Å; F221-F234 HydrophobicContact CZ-CZ 4.44Å
222K95.4Very high95Very high67 Ų6766.7 Ų66.729%0.29134%0.339SS..Hα-helixtrans-52.6-41.7174.6-177.8-172.7-175-174.90112.1A194 A197 D198 L218 F219 R224 T225A194-K222 HydrophobicContact CB-CG 4.15Å; A197-K222 HydrophobicContact CB-CB 4.08Å; D198-K222 HydrophobicContact CB-CD 4.02Å; D198-K222 VanDerWaalsContact CG-NZ 3.31Å; D198-K222 IonicContact OD1-NZ 3.38Å; D198-K222 PolarHBondContact OD1-NZ 2.89Å; L218-K222 PolarHBondContact O-N 3.07Å; F219-K222 PolarHBondContact O-N 3.31Å; K222-R224 VanDerWaalsContact C-N 3.33Å; K222-R224 PolarHBondContact O-N 3.32Å; K222-T225 PolarHBondContact O-N 3.17Å; K222-T225 PolarHBondContact O-OG1 3.31Å
223R95.9Very high94.6Very high161 Ų16162.5 Ų62.561%0.60833%0.329SS*.Hα-helixtrans-64.9-37.2178.7-175.8170.761.5-110.92.2112.1F219 A220 F221 T225 K226F219-R223 WeakPolarHBondContact O-CB 3.31Å; F219-R223 PolarHBondContact O-N 3.15Å; A220-R223 PolarHBondContact O-N 3.33Å; F221-R223 PolarHBondContact O-N 3.35Å; R223-T225 VanDerWaalsContact C-N 3.3Å; R223-T225 PolarHBondContact O-N 2.76Å; R223-K226 WeakPolarHBondContact O-CB 3.4Å; R223-K226 WeakPolarHBondContact O-CG 3.36Å; R223-K226 PolarHBondContact O-N 2.99Å
224R93.7Very high94Very high139 Ų13959.3 Ų59.353%0.52530%0.301SS..Hα-helixtrans-65.2-32.4176.5-69.2-172.2-58.5-1435.6112.7A220 F221 K222 K226 S227 W228A220-R224 WeakPolarHBondContact O-CG 3.3Å; A220-R224 PolarHBondContact O-N 3.07Å; A220-R224 VanDerWaalsContact O-N 3.1Å; F221-R224 WeakPolarHBondContact O-CB 3.36Å; F221-R224 PolarHBondContact O-N 3.29Å; K222-R224 VanDerWaalsContact C-N 3.33Å; K222-R224 PolarHBondContact O-N 3.32Å; R224-K226 PolarHBondContact O-N 2.88Å; R224-S227 PolarHBondContact O-N 3.07Å; R224-S227 VanDerWaalsContact O-N 3.14Å; R224-S227 PolarHBondContact O-OG 2.82Å; R224-S227 VanDerWaalsContact O-OG 3.08Å; R224-W228 HydrophobicContact CB-CZ2 4.24Å; R224-W228 PolarHBondContact O-NE1 3.36Å
225T94.6Very high93.5Very high1 Ų155.5 Ų55.51%0.00629%0.285CS..G310 helixtrans-61.5-18.6178.578.30000113R187 V190 I193 A194 F221 K222 R223 S227 W228R187-T225 PolarHBondContact NH2-O 2.84Å; V190-T225 WeakPolarHBondContact CG1-O 3.3Å; I193-T225 HydrophobicContact CG2-CG2 4.26Å; A194-T225 VanDerWaalsContact CB-OG1 3.31Å; A194-T225 WeakPolarHBondContact CB-OG1 3.25Å; F221-T225 HydrophobicContact CD1-CG2 4.28Å; F221-T225 HydrophobicContact CE1-CG2 3.94Å; F221-T225 WeakPolarHBondContact O-CG2 3.44Å; F221-T225 PolarHBondContact O-N 2.77Å; K222-T225 PolarHBondContact O-N 3.17Å; K222-T225 PolarHBondContact O-OG1 3.31Å; R223-T225 VanDerWaalsContact C-N 3.3Å; R223-T225 PolarHBondContact O-N 2.76Å; T225-S227 PolarHBondContact O-N 2.98Å; T225-W228 HydrophobicContact CG2-CD2 4.46Å; T225-W228 HydrophobicContact CG2-CE3 4Å; T225-W228 HydrophobicContact CG2-CH2 3.8Å; T225-W228 HydrophobicContact CG2-CZ2 4.22Å; T225-W228 HydrophobicContact CG2-CZ3 3.68Å; T225-W228 PolarHBondContact O-N 3.36Å; T225-W228 VanDerWaalsContact O-N 3.16Å
226K93.5Very high92.4Very high159 Ų15957.5 Ų57.569%0.69131%0.308SS*.G310 helixtrans-58-34.5175.6-68.3-173175.6-172.60113R187 R223 R224R187-K226 PolarHBondContact NH2-O 2.91Å; R223-K226 WeakPolarHBondContact O-CB 3.4Å; R223-K226 WeakPolarHBondContact O-CG 3.36Å; R223-K226 PolarHBondContact O-N 2.99Å; R224-K226 PolarHBondContact O-N 2.88Å
227S92.8Very high91.1Very high103 Ų10356.7 Ų56.772%0.7230%0.299SS*.G310 helixtrans-88.81.1-178.769.20000113.8R224 T225R224-S227 PolarHBondContact O-N 3.07Å; R224-S227 VanDerWaalsContact O-N 3.14Å; R224-S227 PolarHBondContact O-OG 2.82Å; R224-S227 VanDerWaalsContact O-OG 3.08Å; T225-S227 PolarHBondContact O-N 2.98Å
228W94.5Very high89.2Confident24 Ų2454.1 Ų54.19%0.09131%0.306CS..  trans-91.2129.2-178.9-54.4-11000110.3I82 R187 V190 I193 F221 R224 T225 F234I82-W228 HydrophobicContact CD1-CZ3 4.38Å; R187-W228 WeakPolarHBondContact CD-O 3.3Å; R187-W228 PolarHBondContact NE-O 2.9Å; R187-W228 VanDerWaalsContact NE-O 3.12Å; V190-W228 HydrophobicContact CG1-CB 3.92Å; V190-W228 HydrophobicContact CG1-CE3 4.23Å; V190-W228 HydrophobicContact CG2-CB 4.18Å; I193-W228 HydrophobicContact CG2-CZ3 4.31Å; F221-W228 HydrophobicContact CE1-CH2 4.22Å; F221-W228 AromaticContact CE2-CH2 3.83Å; F221-W228 HydrophobicContact CE2-CH2 3.83Å; F221-W228 AromaticContact CZ-CH2 3.51Å; F221-W228 HydrophobicContact CZ-CH2 3.51Å; F221-W228 HydrophobicContact CZ-CZ3 4.12Å; R224-W228 HydrophobicContact CB-CZ2 4.24Å; R224-W228 PolarHBondContact O-NE1 3.36Å; T225-W228 HydrophobicContact CG2-CD2 4.46Å; T225-W228 HydrophobicContact CG2-CE3 4Å; T225-W228 HydrophobicContact CG2-CH2 3.8Å; T225-W228 HydrophobicContact CG2-CZ2 4.22Å; T225-W228 HydrophobicContact CG2-CZ3 3.68Å; T225-W228 PolarHBondContact O-N 3.36Å; T225-W228 VanDerWaalsContact O-N 3.16Å; W228-F234 HydrophobicContact CD2-CB 3.86Å; W228-F234 HydrophobicContact CD2-CD2 4.13Å; W228-F234 HydrophobicContact CD2-CG 4.3Å; W228-F234 AromaticContact CE2-CD2 3.44Å; W228-F234 VanDerWaalsContact CE2-CD2 3.44Å; W228-F234 HydrophobicContact CE3-CB 3.79Å; W228-F234 HydrophobicContact CE3-CD2 4.28Å; W228-F234 HydrophobicContact CE3-CG 4.15Å; W228-F234 HydrophobicContact CH2-CB 4.12Å; W228-F234 HydrophobicContact CH2-CD1 4.19Å; W228-F234 AromaticContact CH2-CD2 3.13Å; W228-F234 HydrophobicContact CH2-CD2 3.13Å; W228-F234 HydrophobicContact CH2-CE1 4.29Å; W228-F234 AromaticContact CH2-CE2 3.27Å; W228-F234 HydrophobicContact CH2-CE2 3.27Å; W228-F234 AromaticContact CH2-CG 3.55Å; W228-F234 HydrophobicContact CH2-CG 3.55Å; W228-F234 AromaticContact CH2-CZ 3.82Å; W228-F234 HydrophobicContact CH2-CZ 3.82Å; W228-F234 HydrophobicContact CZ2-CB 4.23Å; W228-F234 AromaticContact CZ2-CD2 2.94Å; W228-F234 HydrophobicContact CZ2-CD2 2.94Å; W228-F234 AromaticContact CZ2-CE2 3.23Å; W228-F234 HydrophobicContact CZ2-CE2 3.23Å; W228-F234 AromaticContact CZ2-CG 3.76Å; W228-F234 HydrophobicContact CZ2-CG 3.76Å; W228-F234 HydrophobicContact CZ2-CZ 4.21Å; W228-F234 HydrophobicContact CZ3-CB 3.9Å; W228-F234 HydrophobicContact CZ3-CD1 4.34Å; W228-F234 AromaticContact CZ3-CD2 3.81Å; W228-F234 HydrophobicContact CZ3-CD2 3.81Å; W228-F234 HydrophobicContact CZ3-CE2 4.28Å; W228-F234 AromaticContact CZ3-CG 3.75Å; W228-F234 HydrophobicContact CZ3-CG 3.75Å
229G95.1Very high87.1Confident46 Ų4658.3 Ų58.347%0.47434%0.336SS..SBendtrans-78.5-29.1169.800000113.2P186 R187P186-G229 CarbonylContact C-O 3.53Å; R187-G229 WeakPolarHBondContact CA-O 3.44Å; R187-G229 PolarHBondContact N-O 3.3Å
230A96.7Very high85.1Confident11 Ų1156.5 Ų56.59%0.09133%0.328CS..SBendtrans-154.9162.6-175.500000110.4E89 P186 S232 A233E89-A230 WeakPolarHBondContact OE2-CB 3.33Å; P186-A230 HydrophobicContact CB-CB 3.67Å; P186-A230 HydrophobicContact CG-CB 3.73Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 WeakPolarHBondContact CB-OG 3.39Å; A230-A233 PolarHBondContact O-N 3.13Å
231C95.9Very high83Confident0 Ų057.9 Ų57.90%033%0.329CS..Hα-helixtrans-67.1-36.5173.4-640000111.5I82 L85 A86 E89 A233 F234 V235I82-C231 HydrophobicContact CG2-CB 4.18Å; L85-C231 HydrophobicContact CB-CB 4Å; A86-C231 HydrophobicContact CB-CB 4.17Å; E89-C231 WeakPolarHBondContact OE1-CB 3.23Å; E89-C231 PolarHBondContact OE1-N 2.81Å; E89-C231 PolarHBondContact OE1-SG 3.05Å; E89-C231 PolarHBondContact OE2-N 2.72Å; C231-A233 VanDerWaalsContact C-N 3.27Å; C231-A233 PolarHBondContact O-N 2.94Å; C231-F234 WeakPolarHBondContact O-CB 3.23Å; C231-F234 PolarHBondContact O-N 2.75Å; C231-V235 PolarHBondContact O-N 3.45Å
232S91.2Very high81Confident24 Ų2461.6 Ų61.617%0.16836%0.358CS..Hα-helixtrans-58.2-33.9174.348.30000113.9E89 A230 F234 V235 A236E89-S232 PolarHBondContact OE2-N 2.66Å; E89-S232 PolarHBondContact OE2-OG 3.28Å; A230-S232 VanDerWaalsContact C-N 3.33Å; A230-S232 WeakPolarHBondContact CB-OG 3.39Å; S232-F234 VanDerWaalsContact C-N 3.29Å; S232-F234 PolarHBondContact O-N 3.25Å; S232-V235 PolarHBondContact O-N 3.02Å; S232-A236 PolarHBondContact O-N 3.16Å
233A86.9Confident79.1Confident54 Ų5464.4 Ų64.445%0.44637%0.371SS..Hα-helixtrans-66.2-30.3175.100000112.8A230 C231A230-A233 PolarHBondContact O-N 3.13Å; C231-A233 VanDerWaalsContact C-N 3.27Å; C231-A233 PolarHBondContact O-N 2.94Å
234F83.1Confident77.2Confident5 Ų557 Ų572%0.02234%0.344CS..Hα-helixtrans-72.6-43.4175170.7-100.6000112.1I82 F221 W228 C231 S232 A236 S237 F240I82-F234 HydrophobicContact CD1-CD1 4.39Å; I82-F234 HydrophobicContact CD1-CE1 4.01Å; I82-F234 HydrophobicContact CG2-CD1 3.49Å; I82-F234 VanDerWaalsContact CG2-CD1 3.49Å; I82-F234 HydrophobicContact CG2-CE1 3.98Å; I82-F234 HydrophobicContact CG2-CG 4.41Å; F221-F234 HydrophobicContact CE2-CE2 4.26Å; F221-F234 AromaticContact CE2-CZ 3.88Å; F221-F234 HydrophobicContact CE2-CZ 3.88Å; F221-F234 HydrophobicContact CZ-CZ 4.44Å; W228-F234 HydrophobicContact CD2-CB 3.86Å; W228-F234 HydrophobicContact CD2-CD2 4.13Å; W228-F234 HydrophobicContact CD2-CG 4.3Å; W228-F234 AromaticContact CE2-CD2 3.44Å; W228-F234 VanDerWaalsContact CE2-CD2 3.44Å; W228-F234 HydrophobicContact CE3-CB 3.79Å; W228-F234 HydrophobicContact CE3-CD2 4.28Å; W228-F234 HydrophobicContact CE3-CG 4.15Å; W228-F234 HydrophobicContact CH2-CB 4.12Å; W228-F234 HydrophobicContact CH2-CD1 4.19Å; W228-F234 AromaticContact CH2-CD2 3.13Å; W228-F234 HydrophobicContact CH2-CD2 3.13Å; W228-F234 HydrophobicContact CH2-CE1 4.29Å; W228-F234 AromaticContact CH2-CE2 3.27Å; W228-F234 HydrophobicContact CH2-CE2 3.27Å; W228-F234 AromaticContact CH2-CG 3.55Å; W228-F234 HydrophobicContact CH2-CG 3.55Å; W228-F234 AromaticContact CH2-CZ 3.82Å; W228-F234 HydrophobicContact CH2-CZ 3.82Å; W228-F234 HydrophobicContact CZ2-CB 4.23Å; W228-F234 AromaticContact CZ2-CD2 2.94Å; W228-F234 HydrophobicContact CZ2-CD2 2.94Å; W228-F234 AromaticContact CZ2-CE2 3.23Å; W228-F234 HydrophobicContact CZ2-CE2 3.23Å; W228-F234 AromaticContact CZ2-CG 3.76Å; W228-F234 HydrophobicContact CZ2-CG 3.76Å; W228-F234 HydrophobicContact CZ2-CZ 4.21Å; W228-F234 HydrophobicContact CZ3-CB 3.9Å; W228-F234 HydrophobicContact CZ3-CD1 4.34Å; W228-F234 AromaticContact CZ3-CD2 3.81Å; W228-F234 HydrophobicContact CZ3-CD2 3.81Å; W228-F234 HydrophobicContact CZ3-CE2 4.28Å; W228-F234 AromaticContact CZ3-CG 3.75Å; W228-F234 HydrophobicContact CZ3-CG 3.75Å; C231-F234 WeakPolarHBondContact O-CB 3.23Å; C231-F234 PolarHBondContact O-N 2.75Å; S232-F234 VanDerWaalsContact C-N 3.29Å; S232-F234 PolarHBondContact O-N 3.25Å; F234-A236 PolarHBondContact O-N 3.45Å; F234-S237 WeakPolarHBondContact O-CB 3.39Å; F234-S237 PolarHBondContact O-N 2.92Å; F234-S237 PolarHBondContact O-OG 2.97Å; F234-F240 HydrophobicContact CD1-CD2 4.49Å; F234-F240 HydrophobicContact CE1-CD1 4.39Å; F234-F240 AromaticContact CE1-CD2 3.35Å; F234-F240 HydrophobicContact CE1-CD2 3.35Å; F234-F240 HydrophobicContact CE1-CE1 4.43Å; F234-F240 AromaticContact CE1-CE2 3.33Å; F234-F240 HydrophobicContact CE1-CE2 3.33Å; F234-F240 AromaticContact CE1-CG 3.84Å; F234-F240 HydrophobicContact CE1-CG 3.84Å; F234-F240 AromaticContact CE1-CZ 3.87Å; F234-F240 HydrophobicContact CE1-CZ 3.87Å; F234-F240 AromaticContact CE2-CD2 3.97Å; F234-F240 HydrophobicContact CE2-CD2 3.97Å; F234-F240 HydrophobicContact CZ-CB 4.3Å; F234-F240 AromaticContact CZ-CD2 3.05Å; F234-F240 HydrophobicContact CZ-CD2 3.05Å; F234-F240 AromaticContact CZ-CE2 3.33Å; F234-F240 HydrophobicContact CZ-CE2 3.33Å; F234-F240 AromaticContact CZ-CG 3.83Å; F234-F240 HydrophobicContact CZ-CG 3.83Å; F234-F240 HydrophobicContact CZ-CZ 4.31Å
235V82.6Confident75.7Confident10 Ų1057.5 Ų57.56%0.06135%0.35CS..Hα-helixtrans-59.2-37.9179176.50000111.1I82 F83 A86 I118 L123 C231 S232 S237I82-V235 HydrophobicContact CG2-CG2 4.14Å; F83-V235 HydrophobicContact CD1-CG1 4.45Å; F83-V235 HydrophobicContact CD1-CG2 4.46Å; F83-V235 HydrophobicContact CD2-CG2 4.03Å; F83-V235 HydrophobicContact CE1-CG1 3.87Å; F83-V235 HydrophobicContact CE1-CG2 4.33Å; F83-V235 HydrophobicContact CE2-CG2 3.88Å; F83-V235 HydrophobicContact CG-CG2 4.31Å; F83-V235 HydrophobicContact CZ-CB 4.48Å; F83-V235 HydrophobicContact CZ-CG1 3.95Å; F83-V235 HydrophobicContact CZ-CG2 4.03Å; A86-V235 HydrophobicContact CB-CB 4.5Å; A86-V235 HydrophobicContact CB-CG2 3.67Å; I118-V235 HydrophobicContact CD1-CG1 4.3Å; L123-V235 HydrophobicContact CD1-CG1 3.39Å; C231-V235 PolarHBondContact O-N 3.45Å; S232-V235 PolarHBondContact O-N 3.02Å; V235-S237 PolarHBondContact O-N 3.14Å
236A74.1Confident74.1Confident73 Ų7363.5 Ų63.560%0.60337%0.373SS*.THydrogen-bonded Turntrans-69-13.7176.200000114.4S232 F234S232-A236 PolarHBondContact O-N 3.16Å; F234-A236 PolarHBondContact O-N 3.45Å
237S69.7Low72.9Confident34 Ų3461.4 Ų61.424%0.23837%0.366CS..  trans-80.2131.5-17479.20000113F234 V235 S239 F240 H241F234-S237 WeakPolarHBondContact O-CB 3.39Å; F234-S237 PolarHBondContact O-N 2.92Å; F234-S237 PolarHBondContact O-OG 2.97Å; V235-S237 PolarHBondContact O-N 3.14Å; S237-S239 PolarHBondContact O-N 3.21Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-S239 PolarHBondContact OG-OG 2.86Å; S237-F240 PolarHBondContact O-N 2.89Å; S237-H241 PolarHBondContact O-CE1 3.49Å; S237-H241 VanDerWaalsContact O-CE1 3.3Å; S237-H241 PolarHBondContact O-ND1 3.45Å
238S54.6Low71.4Confident107 Ų10763 Ų6375%0.74837%0.365SS*.G310 helixtrans-56.7-31.2177.456.80000113.2F240 H241S238-F240 PolarHBondContact O-N 3.04Å; S238-H241 PolarHBondContact O-N 3.12Å; S238-H241 VanDerWaalsContact O-N 3.11Å
239S52.6Low69.8Low95 Ų9564.8 Ų64.866%0.66438%0.378SS*.G310 helixtrans-59.4-12.9-178.370.40000115.4S237S237-S239 PolarHBondContact O-N 3.21Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-S239 PolarHBondContact OG-OG 2.86Å
240F53.5Low67.6Low24 Ų2474.8 Ų74.811%0.10541%0.412CS..G310 helixtrans-99.1-19.2-179.8-171-102.8000114.2Q79 F83 F234 S237 S238 S242 T244Q79-F240 HydrophobicContact CB-CZ 4.08Å; Q79-F240 HydrophobicContact CG-CE2 3.82Å; Q79-F240 HydrophobicContact CG-CZ 3.46Å; Q79-F240 VanDerWaalsContact CG-CZ 3.46Å; F83-F240 HydrophobicContact CD2-CE1 4.43Å; F83-F240 HydrophobicContact CE2-CD1 4.03Å; F83-F240 AromaticContact CE2-CE1 3.19Å; F83-F240 HydrophobicContact CE2-CE1 3.19Å; F83-F240 AromaticContact CE2-CZ 3.53Å; F83-F240 HydrophobicContact CE2-CZ 3.53Å; F83-F240 AromaticContact CZ-CD1 3.91Å; F83-F240 HydrophobicContact CZ-CD1 3.91Å; F83-F240 AromaticContact CZ-CE1 3.32Å; F83-F240 HydrophobicContact CZ-CE1 3.32Å; F83-F240 HydrophobicContact CZ-CZ 4.14Å; F234-F240 HydrophobicContact CD1-CD2 4.49Å; F234-F240 HydrophobicContact CE1-CD1 4.39Å; F234-F240 AromaticContact CE1-CD2 3.35Å; F234-F240 HydrophobicContact CE1-CD2 3.35Å; F234-F240 HydrophobicContact CE1-CE1 4.43Å; F234-F240 AromaticContact CE1-CE2 3.33Å; F234-F240 HydrophobicContact CE1-CE2 3.33Å; F234-F240 AromaticContact CE1-CG 3.84Å; F234-F240 HydrophobicContact CE1-CG 3.84Å; F234-F240 AromaticContact CE1-CZ 3.87Å; F234-F240 HydrophobicContact CE1-CZ 3.87Å; F234-F240 AromaticContact CE2-CD2 3.97Å; F234-F240 HydrophobicContact CE2-CD2 3.97Å; F234-F240 HydrophobicContact CZ-CB 4.3Å; F234-F240 AromaticContact CZ-CD2 3.05Å; F234-F240 HydrophobicContact CZ-CD2 3.05Å; F234-F240 AromaticContact CZ-CE2 3.33Å; F234-F240 HydrophobicContact CZ-CE2 3.33Å; F234-F240 AromaticContact CZ-CG 3.83Å; F234-F240 HydrophobicContact CZ-CG 3.83Å; F234-F240 HydrophobicContact CZ-CZ 4.31Å; S237-F240 PolarHBondContact O-N 2.89Å; S238-F240 PolarHBondContact O-N 3.04Å; F240-S242 PolarHBondContact O-N 3.42Å; F240-T244 WeakPolarHBondContact CD1-OG1 3.4Å; F240-T244 HydrophobicContact CE1-CG2 4.38Å; F240-T244 WeakPolarHBondContact CE1-OG1 3.4Å
241H52.1Low66.1Low57 Ų5778 Ų7826%0.26443%0.428SS..THydrogen-bonded Turntrans-72.50.5-166.2-71.274000115.4S237 S238 H243 T244S237-H241 PolarHBondContact O-CE1 3.49Å; S237-H241 VanDerWaalsContact O-CE1 3.3Å; S237-H241 PolarHBondContact O-ND1 3.45Å; S238-H241 PolarHBondContact O-N 3.12Å; S238-H241 VanDerWaalsContact O-N 3.11Å; H241-H243 PolarHBondContact O-N 3.17Å; H241-T244 PolarHBondContact O-N 3.31Å
242S53Low64.5Low99 Ų9982.1 Ų82.169%0.69245%0.451SS*.THydrogen-bonded Turntrans-57.1-21.4-179.6590000114.5F240F240-S242 PolarHBondContact O-N 3.42Å
243H55.7Low63.1Low126 Ų12685.3 Ų85.358%0.58347%0.466SS*.SBendtrans-134.93.8-180-5965.4000113.3P126 H241P126-H243 HydrophobicContact CG-CB 4.45Å; H241-H243 PolarHBondContact O-N 3.17Å
244T56Low61.7Low6 Ų687.1 Ų87.14%0.03747%0.468CS..  trans-113.1115.5-175.7-440000107.2F83 L123 T124 F240 H241F83-T244 HydrophobicContact CE1-CG2 4.16Å; F83-T244 HydrophobicContact CZ-CG2 4.04Å; L123-T244 HydrophobicContact CB-CG2 4.38Å; T124-T244 WeakPolarHBondContact O-CA 3.44Å; T124-T244 WeakPolarHBondContact O-CG2 3.3Å; F240-T244 WeakPolarHBondContact CD1-OG1 3.4Å; F240-T244 HydrophobicContact CE1-CG2 4.38Å; F240-T244 WeakPolarHBondContact CE1-OG1 3.4Å; H241-T244 PolarHBondContact O-N 3.31Å
245K61.9Low60.3Low149 Ų14992.3 Ų92.365%0.64850%0.496SS*.  trans-80.5137.4172.7-65.9-176.5179.3-178.60108.7L123 T124L123-K245 WeakPolarHBondContact CA-O 3.42Å; T124-K245 PolarHBondContact N-O 2.59Å; T124-K245 PolarHBondContact OG1-N 3.39Å
246R60.8Low58.8Low127 Ų12797.7 Ų97.748%0.47953%0.525SS..EExtended strand (participates in β ladder)trans-115.5123.1174.4-179.6177.1176.4179.21.2108D121 R122 L123D121-R246 HydrophobicContact CB-CG 4.44Å; D121-R246 VanDerWaalsContact CG-CZ 3.48Å; D121-R246 IonicContact OD1-CZ 2.81Å; D121-R246 VanDerWaalsContact OD1-CZ 3.23Å; D121-R246 IonicContact OD1-NE 2.68Å; D121-R246 PolarHBondContact OD1-NE 3.48Å; D121-R246 IonicContact OD1-NH2 2.83Å; D121-R246 PolarHBondContact OD1-NH2 2.96Å; D121-R246 IonicContact OD2-CZ 2.65Å; D121-R246 IonicContact OD2-NE 3.23Å; D121-R246 PolarHBondContact OD2-NE 2.9Å; D121-R246 IonicContact OD2-NH2 3.34Å; D121-R246 PolarHBondContact OD2-NH2 3.44Å; R122-R246 WeakPolarHBondContact O-CA 3.08Å; L123-R246 HydrophobicContact CD2-CB 3.86Å; L123-R246 HydrophobicContact CD2-CG 3.82Å
247E67.7Low57.8Low116 Ų11699.5 Ų99.554%0.54252%0.519SS..EExtended strand (participates in β ladder)trans-124.8133.5173.1-69.5174.7-175.600107.6R122R122-E247 WeakPolarHBondContact CA-O 3.17Å; R122-E247 HydrophobicContact CB-CB 4.36Å; R122-E247 WeakPolarHBondContact CB-O 3.5Å; R122-E247 PolarHBondContact N-O 3.15Å; R122-E247 PolarHBondContact O-N 2.83Å
248I62.2Low56.8Low136 Ų136104.5 Ų104.570%0.69754%0.541SS*.EExtended strand (participates in β ladder)trans-78.6127.2174.9-60.1173.4000106.7
249V60.5Low57Low61 Ų61104.3 Ų104.337%0.3752%0.523SS..  trans-83.8114172.5-173.30000107.5G120 R122G120-V249 WeakPolarHBondContact O-CB 3.26Å; G120-V249 PolarHBondContact O-N 2.86Å; R122-V249 HydrophobicContact CB-CG2 3.64Å
250E48.4Very low57.4Low256 Ų256105.2 Ų105.2100%1.19651%0.51SS*.  trans-66.60170.4-69.5-176.716800112.2

Retrieved 250 of 250 residues in 228.6 ms (Link to these results)

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