A0A3Q0KNT9_SCHMA Loading...

Palmitoyl-protein thioesterase 1

AlphaFold DB , UniProt , Accession A0A3Q0KNT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 296 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
1M36.7Very low47.7Very low228 Ų228162.2 Ų162.2100%1.12383%0.827SS**  0112.20-84.4164.158.200107.6
2H41.5Very low48.1Very low181 Ų181160.2 Ų160.284%0.83882%0.818SS**  trans177.469.3150.2-85-0.2000107.2L4H2-L4 PolarHBondContact O-N 3.36Å
3N43.7Very low48.3Very low161 Ų161162.3 Ų162.386%0.86182%0.818SS**  trans-81.692.4159.8-77.8-18.6000105.8
4L46.3Very low48.6Very low172 Ų172161.9 Ų161.990%0.90182%0.818SS**  trans-91109174.8-155.375000108H2 A6H2-L4 PolarHBondContact O-N 3.36Å; L4-A6 PolarHBondContact O-N 3.48Å
5L47.9Very low48.8Very low140 Ų140157.3 Ų157.373%0.73381%0.807SS**  trans-47.3129.6-175.9-8175.6000112.5W7L5-W7 PolarHBondContact O-N 3.07Å; L5-W7 VanDerWaalsContact O-N 3.12Å
6A49Very low48.9Very low94 Ų94154.4 Ų154.478%0.77780%0.803SS**  trans-63.6106.2162.900000109.2L4 I8L4-A6 PolarHBondContact O-N 3.48Å; A6-I8 PolarHBondContact O-N 3.08Å
7W50.4Low48.9Very low231 Ų231151.9 Ų151.988%0.87580%0.797SS**  trans-72.393.8168.7-78.382.3000108.9L5 L9L5-W7 PolarHBondContact O-N 3.07Å; L5-W7 VanDerWaalsContact O-N 3.12Å; W7-L9 PolarHBondContact O-N 3.12Å; W7-L9 VanDerWaalsContact O-N 3.08Å
8I50.1Low49.1Very low150 Ų150151.8 Ų151.877%0.76980%0.796SS**  trans-73.496164.9-62.1174.8000106.7A6 L10A6-I8 PolarHBondContact O-N 3.08Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.95Å
9L52.5Low49.6Very low148 Ų148149.8 Ų149.878%0.77579%0.791SS**  trans-64.592.8165.4-88.7149.4000108.1W7 I11W7-L9 PolarHBondContact O-N 3.12Å; W7-L9 VanDerWaalsContact O-N 3.08Å; L9-I11 PolarHBondContact O-N 2.86Å
10L52.9Low50.5Low139 Ų139148.6 Ų148.673%0.72878%0.781SS**  trans-69.286.5166.4-16283.4000107.4I8 L12I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.95Å; L10-L12 PolarHBondContact O-N 2.91Å
11I53.6Low52.3Low140 Ų140146.8 Ų146.872%0.71877%0.766SS**  trans-66.293167.1-57.9174.7000105.6L9 K13L9-I11 PolarHBondContact O-N 2.86Å; I11-K13 PolarHBondContact O-N 2.75Å
12L52.9Low55.1Low138 Ų138136.5 Ų136.572%0.72372%0.716SS**  trans-54.695.9157.5-86.4139.3000105.7L10 L14L10-L12 PolarHBondContact O-N 2.91Å; L12-L14 PolarHBondContact O-N 2.8Å
13K51Low57.7Low188 Ų188128.5 Ų128.582%0.81768%0.68SS**  trans-60.487.9159.5-71.9-175.5178.8-178.10104.7I11 S15I11-K13 PolarHBondContact O-N 2.75Å; K13-S15 PolarHBondContact O-N 2.78Å
14L51.7Low60.4Low156 Ų156120.9 Ų120.982%0.81764%0.639SS**  trans-56.391.7145.5-95.685.7000103.3L12 C16L12-L14 PolarHBondContact O-N 2.8Å; L14-C16 PolarHBondContact O-N 2.74Å
15S51.7Low62.9Low94 Ų94112.7 Ų112.766%0.65760%0.596SS**  trans-57.989.6149.247.20000103.5K13 T17K13-S15 PolarHBondContact O-N 2.78Å; S15-T17 PolarHBondContact O-N 2.81Å
16C49.8Very low65.3Low110 Ų110106 Ų10674%0.74356%0.561SS**  trans-55.193.8153.2-167.70000102.4L14 L18L14-C16 PolarHBondContact O-N 2.74Å; C16-L18 PolarHBondContact O-N 2.77Å
17T49.4Very low67.7Low112 Ų112101.6 Ų101.669%0.68753%0.525SS*.  trans-64.491.5170.246.80000102.6S15 T19S15-T17 PolarHBondContact O-N 2.81Å; T17-T19 VanDerWaalsContact C-N 3.25Å; T17-T19 PolarHBondContact O-N 2.85Å
18L53.5Low69.9Low150 Ų15090.7 Ų90.779%0.78548%0.484SS*.  trans-55.8105.6166.6-168.377.2000103.1C16 E20C16-L18 PolarHBondContact O-N 2.77Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.08Å
19T57.3Low72.1Confident115 Ų11583.9 Ų83.971%0.70645%0.45SS*.  trans-56.3108.5172.144.20000104.8T17 K21T17-T19 VanDerWaalsContact C-N 3.25Å; T17-T19 PolarHBondContact O-N 2.85Å; T19-K21 PolarHBondContact O-N 3.35Å
20E67.9Low74.1Confident125 Ų12579 Ų7958%0.58442%0.424SS*.  trans-59109.8-175.9-171.9173.4-173.900107.1L18 L22 N95L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.08Å; E20-L22 PolarHBondContact O-N 3.37Å; E20-N95 WeakPolarHBondContact OE1-CB 3.38Å; E20-N95 PolarHBondContact OE1-ND2 3.47Å
21K87.8Confident76Confident110 Ų11072.8 Ų72.848%0.47839%0.393SS..PPolyproline II helixtrans-70.3117-179.1-66.2-176.6177.5-1680107.2T19 I50 P51T19-K21 PolarHBondContact O-N 3.35Å; K21-I50 HydrophobicContact CD-CG2 3.88Å; K21-P51 PolarHBondContact NZ-O 3.45Å
22L95.3Very high77.9Confident13 Ų1368.4 Ų68.47%0.06837%0.371CS..PPolyproline II helixtrans-68.5138177.8-64.1-178.5000109.4E20 K120E20-L22 PolarHBondContact O-N 3.37Å; L22-K120 HydrophobicContact CD1-CD 4.33Å; L22-K120 HydrophobicContact CD2-CD 4.39Å
23P97.8Very high80Confident12 Ų1265.4 Ų65.48%0.07835%0.35CS..PPolyproline II helixtrans-61.8163.516733.7-42.1000110.7Y54 N92 L93 G96 L97 H98P23-Y54 CarbonylContact C-O 3.42Å; P23-Y54 WeakPolarHBondContact CA-O 3.41Å; P23-Y54 HydrophobicContact CB-CD1 3.92Å; P23-Y54 HydrophobicContact CB-CG 4.5Å; P23-Y54 WeakPolarHBondContact CB-O 3.44Å; P23-N92 WeakPolarHBondContact CG-O 3.33Å; P23-L93 HydrophobicContact CB-CD2 3.54Å; P23-L93 HydrophobicContact CG-CD2 3.48Å; P23-L93 VanDerWaalsContact CG-CD2 3.48Å; P23-G96 WeakPolarHBondContact CD-O 3.41Å; P23-G96 WeakPolarHBondContact CG-O 3.41Å; P23-L97 HydrophobicContact CG-CB 4.03Å; P23-L97 CarbonylContact O-C 3.48Å; P23-L97 WeakPolarHBondContact O-CA 3.43Å; P23-H98 PolarHBondContact O-N 3.01Å
24V98.6Very high82.2Confident1 Ų156.5 Ų56.51%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-121.7130.9178.8-169.50000109.8I46 T53 Y54 V55 K56 H98 I100 L295V24-I46 HydrophobicContact CB-CD1 4.46Å; V24-I46 HydrophobicContact CG1-CD1 4.06Å; V24-I46 HydrophobicContact CG2-CG2 4.02Å; V24-T53 HydrophobicContact CG2-CG2 3.9Å; V24-Y54 PolarHBondContact N-O 2.94Å; V24-V55 HydrophobicContact CB-CG1 4.5Å; V24-V55 HydrophobicContact CB-CG2 4.38Å; V24-V55 CarbonylContact O-C 3.54Å; V24-V55 VanDerWaalsContact O-CA 3.25Å; V24-V55 WeakPolarHBondContact O-CA 3.24Å; V24-K56 PolarHBondContact O-N 3.18Å; V24-H98 WeakPolarHBondContact CA-O 3.46Å; V24-H98 HydrophobicContact CB-CB 4.42Å; V24-H98 HydrophobicContact CG1-CB 4.19Å; V24-H98 HydrophobicContact CG2-CB 4.08Å; V24-I100 HydrophobicContact CG1-CD1 3.86Å; V24-I100 HydrophobicContact CG1-CG1 3.88Å; V24-L295 HydrophobicContact CG2-CD1 4.49Å
25I98.8Very high84.3Confident0 Ų052.5 Ų52.50%029%0.294CS..EExtended strand (participates in β ladder)trans-95.5143.9162.769.5172000110K56 I58 I87 L93 L97 H98 M99 I100 L112I25-K56 CarbonylContact C-O 3.54Å; I25-K56 VanDerWaalsContact CA-O 3.24Å; I25-K56 WeakPolarHBondContact CA-O 3.46Å; I25-K56 HydrophobicContact CG2-CB 4.31Å; I25-I58 HydrophobicContact CB-CD1 4.06Å; I25-I58 HydrophobicContact CB-CG1 4.24Å; I25-I58 HydrophobicContact CD1-CD1 4.43Å; I25-I58 HydrophobicContact CG2-CD1 4.23Å; I25-I87 HydrophobicContact CD1-CD1 3.77Å; I25-L93 HydrophobicContact CG2-CD1 3.92Å; I25-L93 HydrophobicContact CG2-CD2 4.03Å; I25-L97 HydrophobicContact CD1-CD1 3.91Å; I25-L97 HydrophobicContact CG1-CD1 4.06Å; I25-L97 HydrophobicContact CG2-CD1 3.72Å; I25-H98 PolarHBondContact N-O 3Å; I25-M99 HydrophobicContact CD1-CB 4.16Å; I25-M99 HydrophobicContact CD1-CG 3.76Å; I25-M99 HydrophobicContact CD1-SD 4.19Å; I25-M99 HydrophobicContact CG1-CB 3.85Å; I25-M99 HydrophobicContact CG1-CG 3.76Å; I25-I100 PolarHBondContact O-N 2.9Å; I25-L112 HydrophobicContact CD1-CD1 3.77Å
26I98.9Very high86.4Confident0 Ų048 Ų480%026%0.263CS..EExtended strand (participates in β ladder)trans-120.3119.9170.7-50.9179.9000108.4I39 L42 A43 I46 V55 K56 I58 I100 I102I26-I39 HydrophobicContact CB-CG2 4.39Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I26-I39 HydrophobicContact CG2-CG2 4.02Å; I26-L42 HydrophobicContact CD1-CB 4.15Å; I26-A43 HydrophobicContact CD1-CB 3.95Å; I26-I46 HydrophobicContact CD1-CD1 3.85Å; I26-I46 HydrophobicContact CG1-CD1 4.38Å; I26-V55 HydrophobicContact CD1-CG1 3.94Å; I26-V55 HydrophobicContact CG1-CG1 4.09Å; I26-K56 PolarHBondContact N-O 3.47Å; I26-I58 PolarHBondContact O-N 3.3Å; I26-I100 CarbonylContact C-O 3.55Å; I26-I100 VanDerWaalsContact CA-O 3.26Å; I26-I100 WeakPolarHBondContact CA-O 3.35Å; I26-I100 HydrophobicContact CG1-CB 4.46Å; I26-I102 HydrophobicContact CG2-CG1 4.29Å
27W98.8Very high88.7Confident2 Ų250.6 Ų50.61%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-108.5119.6173.8-153.4-25000109.9I58 Q79 L80 V83 I100 G101 I102 F108 V109 L112W27-I58 HydrophobicContact CB-CB 4.33Å; W27-I58 HydrophobicContact CB-CG1 4.26Å; W27-I58 HydrophobicContact CD2-CB 4.34Å; W27-I58 HydrophobicContact CD2-CG1 4.49Å; W27-I58 HydrophobicContact CD2-CG2 3.91Å; W27-I58 HydrophobicContact CG-CB 4.02Å; W27-I58 HydrophobicContact CG-CG1 4.3Å; W27-I58 HydrophobicContact CG-CG2 4.05Å; W27-I58 HydrophobicContact CZ2-CG2 4.36Å; W27-Q79 HydrophobicContact CH2-CB 4.39Å; W27-Q79 HydrophobicContact CZ2-CB 4.13Å; W27-L80 HydrophobicContact CH2-CD2 3.9Å; W27-L80 HydrophobicContact CZ3-CD2 3.82Å; W27-V83 HydrophobicContact CE3-CG1 4.26Å; W27-V83 HydrophobicContact CH2-CB 3.78Å; W27-V83 HydrophobicContact CH2-CG1 4.09Å; W27-V83 HydrophobicContact CH2-CG2 3.59Å; W27-V83 HydrophobicContact CZ2-CB 4.39Å; W27-V83 HydrophobicContact CZ2-CG2 3.69Å; W27-V83 HydrophobicContact CZ3-CB 4.03Å; W27-V83 HydrophobicContact CZ3-CG1 3.83Å; W27-V83 HydrophobicContact CZ3-CG2 4.17Å; W27-I100 PolarHBondContact N-O 3.12Å; W27-G101 WeakPolarHBondContact O-CA 3.43Å; W27-I102 PolarHBondContact O-N 2.9Å; W27-F108 HydrophobicContact CD2-CB 3.98Å; W27-F108 HydrophobicContact CD2-CD2 4.17Å; W27-F108 AromaticContact CE2-CD2 3.7Å; W27-F108 HydrophobicContact CE3-CB 3.73Å; W27-F108 HydrophobicContact CH2-CB 4.19Å; W27-F108 HydrophobicContact CH2-CD2 4.24Å; W27-F108 HydrophobicContact CZ2-CB 4.41Å; W27-F108 AromaticContact CZ2-CD2 3.75Å; W27-F108 HydrophobicContact CZ2-CD2 3.75Å; W27-F108 HydrophobicContact CZ2-CE2 4.48Å; W27-F108 HydrophobicContact CZ3-CB 3.83Å; W27-F108 AromaticContact NE1-CD2 3.95Å; W27-V109 HydrophobicContact CB-CG1 3.97Å; W27-V109 HydrophobicContact CE3-CG1 4.43Å; W27-L112 HydrophobicContact CE3-CD1 3.63Å; W27-L112 HydrophobicContact CE3-CG 4.16Å; W27-L112 HydrophobicContact CH2-CD2 4.49Å; W27-L112 HydrophobicContact CZ3-CD1 3.5Å; W27-L112 HydrophobicContact CZ3-CD2 3.77Å; W27-L112 HydrophobicContact CZ3-CG 3.58Å
28H98.3Very high90.9Very high2 Ų247.3 Ų47.31%0.00926%0.255CS..  trans-72.1173.3176.263.687.1000112.5D32 R33 G34 I39 I58 D67 I102 G105H28-D32 HydrophobicContact CB-CB 4.12Å; H28-D32 PolarHBondContact CE1-O 2.79Å; H28-D32 VanDerWaalsContact ND1-C 3.3Å; H28-D32 PolarHBondContact ND1-O 3.45Å; H28-R33 VanDerWaalsContact CE1-CA 3.49Å; H28-R33 WeakPolarHBondContact CE1-CA 3.46Å; H28-R33 WeakPolarHBondContact NE2-CA 3.22Å; H28-G34 PolarHBondContact CD2-N 2.78Å; H28-G34 PolarHBondContact NE2-N 2.76Å; H28-I39 HydrophobicContact CB-CD1 3.62Å; H28-I39 HydrophobicContact CB-CG1 3.83Å; H28-I58 PolarHBondContact CD2-O 3.12Å; H28-D67 IonicContact NE2-OD1 3.66Å; H28-D67 IonicContact NE2-OD2 3.67Å; H28-I102 CarbonylContact C-O 3.59Å; H28-G105 VanDerWaalsContact O-CA 3.31Å; H28-G105 WeakPolarHBondContact O-CA 3.41Å; H28-G105 PolarHBondContact O-N 2.96Å
29G96.3Very high93Very high6 Ų640.3 Ų40.36%0.06222%0.218CC..  trans-106.9-167.7175.900000113.1G31 D32 I102G29-G31 PolarHBondContact O-N 3.14Å; G29-D32 PolarHBondContact O-N 3.39Å; G29-I102 WeakPolarHBondContact CA-O 3.48Å; G29-I102 PolarHBondContact N-O 3.14Å
30M94.1Very high95Very high47 Ų4738.7 Ų38.723%0.23221%0.205CC..THydrogen-bonded Turntrans-52.2131.1-179.5-177.6-176.877.200112.6D32 Y72 Q104 M152 Q171M30-D32 PolarHBondContact O-N 3.45Å; M30-Y72 HydrophobicContact CG-CD1 4.03Å; M30-Y72 HydrophobicContact CG-CE1 3.45Å; M30-Y72 VanDerWaalsContact CG-CE1 3.45Å; M30-Y72 HydrophobicContact CG-CE2 4.28Å; M30-Y72 HydrophobicContact SD-CD1 4.28Å; M30-Y72 HydrophobicContact SD-CE1 3.7Å; M30-Q104 VanDerWaalsContact N-OE1 3.14Å; M30-M152 HydrophobicContact CE-CE 4.33Å; M30-M152 HydrophobicContact CE-SD 4.48Å; M30-M152 HydrophobicContact SD-CE 4.04Å; M30-M152 HydrophobicContact SD-SD 3.45Å; M30-Q171 HydrophobicContact SD-CG 3.87Å; M30-Q171 PolarHBondContact SD-NE2 3.47Å
31G92.3Very high96.4Very high8 Ų838.7 Ų38.78%0.08220%0.203CC..THydrogen-bonded Turntrans80.3-8.1176.600000115.7G29 T71G29-G31 PolarHBondContact O-N 3.14Å; G31-T71 PolarHBondContact N-OG1 3.39Å
32D94.6Very high96.9Very high48 Ų4834.1 Ų34.126%0.25718%0.183SC..  trans-104.8-175.1175.7-156.8-3.2000111H28 G29 M30 I39H28-D32 HydrophobicContact CB-CB 4.12Å; H28-D32 PolarHBondContact CE1-O 2.79Å; H28-D32 VanDerWaalsContact ND1-C 3.3Å; H28-D32 PolarHBondContact ND1-O 3.45Å; G29-D32 PolarHBondContact O-N 3.39Å; M30-D32 PolarHBondContact O-N 3.45Å; D32-I39 WeakPolarHBondContact OD2-CG1 3.47Å
33R96.3Very high97.1Very high74 Ų7433.8 Ų33.828%0.27918%0.183SC..  trans-149.9160.4-175.762.3-174.3178-79.31.7111.4H28 T35 G36 V64 D67 I68H28-R33 VanDerWaalsContact CE1-CA 3.49Å; H28-R33 WeakPolarHBondContact CE1-CA 3.46Å; H28-R33 WeakPolarHBondContact NE2-CA 3.22Å; R33-T35 WeakPolarHBondContact CD-OG1 3.08Å; R33-T35 PolarHBondContact NE-OG1 3.4Å; R33-T35 PolarHBondContact O-N 2.84Å; R33-T35 VanDerWaalsContact O-N 3.12Å; R33-G36 PolarHBondContact O-N 2.89Å; R33-V64 VanDerWaalsContact CD-CG1 3.47Å; R33-D67 VanDerWaalsContact CA-OD2 3.28Å; R33-D67 WeakPolarHBondContact CA-OD2 3.47Å; R33-D67 HydrophobicContact CB-CB 4.25Å; R33-D67 WeakPolarHBondContact CB-OD2 3.42Å; R33-I68 HydrophobicContact CB-CG1 3.93Å; R33-I68 HydrophobicContact CG-CG1 4.48Å
34G96.6Very high97.1Very high2 Ų236.5 Ų36.52%0.02120%0.199CC..THydrogen-bonded Turntrans-63.1-23179.400000114H28 C57 I58 D67H28-G34 PolarHBondContact CD2-N 2.78Å; H28-G34 PolarHBondContact NE2-N 2.76Å; G34-C57 WeakPolarHBondContact O-CB 3.26Å; G34-I58 WeakPolarHBondContact CA-O 3.24Å; G34-D67 PolarHBondContact N-OD2 2.83Å
35T96.8Very high97.1Very high71 Ų7136.8 Ų36.844%0.43620%0.202SC..THydrogen-bonded Turntrans-93.18.2174.559.70000113.7R33 L40R33-T35 WeakPolarHBondContact CD-OG1 3.08Å; R33-T35 PolarHBondContact NE-OG1 3.4Å; R33-T35 PolarHBondContact O-N 2.84Å; R33-T35 VanDerWaalsContact O-N 3.12Å; T35-L40 WeakPolarHBondContact O-CD1 3.42Å
36G96.2Very high97.1Very high1 Ų136.8 Ų36.81%0.0120%0.202CC..  trans-63.9141.9-179.500000111.8R33 G38 I39 L40R33-G36 PolarHBondContact O-N 2.89Å; G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.93Å; G36-I39 PolarHBondContact O-N 3.36Å; G36-I39 VanDerWaalsContact O-N 3.16Å; G36-L40 WeakPolarHBondContact O-CG 3.41Å; G36-L40 PolarHBondContact O-N 3.41Å
37M96.2Very high97Very high164 Ų16440.9 Ų40.981%0.80822%0.221SC*.Hα-helixtrans-59.5-37.5-176.3-177.2175.861.900112.4K41M37-K41 VanDerWaalsContact O-CB 3.27Å; M37-K41 WeakPolarHBondContact O-CB 3.27Å; M37-K41 PolarHBondContact O-N 3.3Å
38G96.2Very high96.9Very high43 Ų4346.6 Ų46.644%0.44325%0.251SS..Hα-helixtrans-61.6-50.1175.300000111.8G36 K41 L42G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.93Å; G38-K41 WeakPolarHBondContact O-CB 3.45Å; G38-K41 PolarHBondContact O-N 2.92Å; G38-L42 WeakPolarHBondContact O-CG 3.43Å; G38-L42 PolarHBondContact O-N 3.23Å; G38-L42 VanDerWaalsContact O-N 3.09Å
39I98.2Very high96.9Very high3 Ų349 Ų492%0.01526%0.263CS..Hα-helixtrans-61.7-48179.5-56.3-59.4000111.7I26 H28 D32 G36 K41 L42 A43 C57 I102I26-I39 HydrophobicContact CB-CG2 4.39Å; I26-I39 HydrophobicContact CG2-CD1 4.4Å; I26-I39 HydrophobicContact CG2-CG2 4.02Å; H28-I39 HydrophobicContact CB-CD1 3.62Å; H28-I39 HydrophobicContact CB-CG1 3.83Å; D32-I39 WeakPolarHBondContact OD2-CG1 3.47Å; G36-I39 PolarHBondContact O-N 3.36Å; G36-I39 VanDerWaalsContact O-N 3.16Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.44Å; I39-L42 PolarHBondContact O-N 2.94Å; I39-L42 VanDerWaalsContact O-N 3.13Å; I39-A43 PolarHBondContact O-N 2.87Å; I39-C57 HydrophobicContact CG2-CB 3.83Å; I39-I102 HydrophobicContact CD1-CG1 4.22Å
40L98.4Very high96.8Very high80 Ų8049 Ų4942%0.41926%0.261SS..Hα-helixtrans-63-33.3177.6-66.3179.7000112.5T35 G36 A43 T44T35-L40 WeakPolarHBondContact O-CD1 3.42Å; G36-L40 WeakPolarHBondContact O-CG 3.41Å; G36-L40 PolarHBondContact O-N 3.41Å; L40-A43 PolarHBondContact O-N 3.28Å; L40-T44 WeakPolarHBondContact O-CB 3.25Å; L40-T44 PolarHBondContact O-N 3.03Å; L40-T44 PolarHBondContact O-OG1 3.24Å
41K98.3Very high96.8Very high125 Ų12550.3 Ų50.354%0.54327%0.273SS..Hα-helixtrans-66.1-40.9174-173.8179.5-178.6-177.20111.7M37 G38 I39 T44 A45M37-K41 VanDerWaalsContact O-CB 3.27Å; M37-K41 WeakPolarHBondContact O-CB 3.27Å; M37-K41 PolarHBondContact O-N 3.3Å; G38-K41 WeakPolarHBondContact O-CB 3.45Å; G38-K41 PolarHBondContact O-N 2.92Å; I39-K41 VanDerWaalsContact C-N 3.27Å; I39-K41 PolarHBondContact O-N 3.44Å; K41-T44 PolarHBondContact O-N 2.85Å; K41-A45 WeakPolarHBondContact O-CB 3.43Å; K41-A45 PolarHBondContact O-N 3.02Å
42L98.6Very high96.8Very high14 Ų1461.9 Ų61.97%0.07332%0.315CS..Hα-helixtrans-65.2-43.7174.1-61.1-179.9000111.4I26 G38 I39 T44 A45 I46 I102 F281 F286I26-L42 HydrophobicContact CD1-CB 4.15Å; G38-L42 WeakPolarHBondContact O-CG 3.43Å; G38-L42 PolarHBondContact O-N 3.23Å; G38-L42 VanDerWaalsContact O-N 3.09Å; I39-L42 PolarHBondContact O-N 2.94Å; I39-L42 VanDerWaalsContact O-N 3.13Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.03Å; L42-A45 WeakPolarHBondContact O-CB 3.21Å; L42-A45 PolarHBondContact O-N 3.33Å; L42-I46 WeakPolarHBondContact O-CG1 3.4Å; L42-I46 PolarHBondContact O-N 3.46Å; L42-I102 HydrophobicContact CD1-CD1 3.98Å; L42-I102 HydrophobicContact CD1-CG1 4.34Å; L42-F281 HydrophobicContact CD2-CE2 4.06Å; L42-F286 HydrophobicContact CB-CE1 4.04Å; L42-F286 HydrophobicContact CB-CZ 4.15Å; L42-F286 HydrophobicContact CD2-CB 4.24Å; L42-F286 HydrophobicContact CD2-CD1 3.63Å; L42-F286 HydrophobicContact CD2-CD2 4.06Å; L42-F286 HydrophobicContact CD2-CE1 3.9Å; L42-F286 HydrophobicContact CD2-CE2 4.31Å; L42-F286 HydrophobicContact CD2-CG 3.71Å; L42-F286 HydrophobicContact CD2-CZ 4.23Å
43A98.5Very high96.8Very high7 Ų760.1 Ų60.16%0.05831%0.305CS..Hα-helixtrans-58.9-44.917600000112.1I26 I39 L40 A45 I46 Q47 V55I26-A43 HydrophobicContact CD1-CB 3.95Å; I39-A43 PolarHBondContact O-N 2.87Å; L40-A43 PolarHBondContact O-N 3.28Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 3.42Å; A43-I46 PolarHBondContact O-N 2.94Å; A43-Q47 WeakPolarHBondContact O-CG 3.26Å; A43-Q47 PolarHBondContact O-N 2.91Å; A43-V55 HydrophobicContact CB-CB 4.39Å; A43-V55 HydrophobicContact CB-CG1 3.69Å
44T98.3Very high96.9Very high69 Ų6960.3 Ų60.342%0.42331%0.307SS..Hα-helixtrans-61.9-41.3176.2-57.30000111.5L40 K41 L42 I46 Q47 N48L40-T44 WeakPolarHBondContact O-CB 3.25Å; L40-T44 PolarHBondContact O-N 3.03Å; L40-T44 PolarHBondContact O-OG1 3.24Å; K41-T44 PolarHBondContact O-N 2.85Å; L42-T44 VanDerWaalsContact C-N 3.33Å; L42-T44 PolarHBondContact O-N 3.03Å; T44-I46 PolarHBondContact O-N 3.09Å; T44-Q47 PolarHBondContact O-N 3.13Å; T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.48Å; T44-N48 PolarHBondContact O-ND2 2.91Å
45A98.3Very high96.9Very high7 Ų761.1 Ų61.16%0.05831%0.311CS..Hα-helixtrans-61.3-42.4177.100000112.2K41 L42 A43 N48 E49 V283 F286 I287K41-A45 WeakPolarHBondContact O-CB 3.43Å; K41-A45 PolarHBondContact O-N 3.02Å; L42-A45 WeakPolarHBondContact O-CB 3.21Å; L42-A45 PolarHBondContact O-N 3.33Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 3.42Å; A45-N48 PolarHBondContact O-N 2.94Å; A45-E49 PolarHBondContact O-N 3.16Å; A45-E49 VanDerWaalsContact O-N 3.08Å; A45-V283 HydrophobicContact CB-CG2 3.61Å; A45-F286 HydrophobicContact CB-CD1 4.38Å; A45-F286 HydrophobicContact CB-CE1 4.45Å; A45-I287 HydrophobicContact CB-CD1 4.03Å; A45-I287 HydrophobicContact CB-CG1 3.89Å
46I98.3Very high97Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-61.9-47.7174.7-64168.4000110.8V24 I26 L42 A43 T44 N48 E49 I50 T53 V55 I100 F286 V291 L295V24-I46 HydrophobicContact CB-CD1 4.46Å; V24-I46 HydrophobicContact CG1-CD1 4.06Å; V24-I46 HydrophobicContact CG2-CG2 4.02Å; I26-I46 HydrophobicContact CD1-CD1 3.85Å; I26-I46 HydrophobicContact CG1-CD1 4.38Å; L42-I46 WeakPolarHBondContact O-CG1 3.4Å; L42-I46 PolarHBondContact O-N 3.46Å; A43-I46 PolarHBondContact O-N 2.94Å; T44-I46 PolarHBondContact O-N 3.09Å; I46-N48 VanDerWaalsContact C-N 3.3Å; I46-N48 PolarHBondContact O-N 3.26Å; I46-E49 PolarHBondContact O-N 2.6Å; I46-I50 PolarHBondContact O-N 3Å; I46-T53 HydrophobicContact CG2-CG2 4.13Å; I46-V55 HydrophobicContact CB-CG2 4.14Å; I46-V55 HydrophobicContact CG2-CG2 3.75Å; I46-I100 HydrophobicContact CD1-CD1 3.66Å; I46-F286 HydrophobicContact CD1-CE1 4.36Å; I46-F286 HydrophobicContact CD1-CZ 4.11Å; I46-F286 HydrophobicContact CG1-CE1 3.91Å; I46-F286 HydrophobicContact CG1-CZ 4.11Å; I46-V291 HydrophobicContact CG1-CG1 4.47Å; I46-V291 HydrophobicContact CG1-CG2 3.86Å; I46-L295 HydrophobicContact CD1-CD1 4.46Å
47Q97.4Very high97.1Very high85 Ų8561.3 Ų61.340%0.39731%0.308SS..Hα-helixtrans-65.2-33.5-177.9-70.6177.9-42.100112.9A43 T44 I50 V55A43-Q47 WeakPolarHBondContact O-CG 3.26Å; A43-Q47 PolarHBondContact O-N 2.91Å; T44-Q47 PolarHBondContact O-N 3.13Å; Q47-I50 CarbonylContact O-C 3.58Å; Q47-V55 HydrophobicContact CG-CB 4.33Å; Q47-V55 HydrophobicContact CG-CG2 3.67Å
48N97.2Very high97.3Very high122 Ų12253.5 Ų53.565%0.65227%0.27SS*.Hα-helixtrans-70.4-44.6175.9-72.8-18.6000112T44 A45 I46T44-N48 WeakPolarHBondContact O-CB 3.35Å; T44-N48 PolarHBondContact O-N 3.48Å; T44-N48 PolarHBondContact O-ND2 2.91Å; A45-N48 PolarHBondContact O-N 2.94Å; I46-N48 VanDerWaalsContact C-N 3.3Å; I46-N48 PolarHBondContact O-N 3.26Å
49E97.3Very high97.3Very high53 Ų5352.6 Ų52.625%0.24826%0.255CS..Hα-helixtrans-76.5-30.6-179.5-176.453.8-137.400112.6A45 I46 P51 I287 V291 I292 K296A45-E49 PolarHBondContact O-N 3.16Å; A45-E49 VanDerWaalsContact O-N 3.08Å; I46-E49 PolarHBondContact O-N 2.6Å; E49-P51 WeakPolarHBondContact O-CD 3.24Å; E49-I287 HydrophobicContact CB-CG2 4.5Å; E49-I287 HydrophobicContact CG-CG2 4.24Å; E49-V291 HydrophobicContact CB-CG1 3.94Å; E49-V291 HydrophobicContact CG-CG1 3.89Å; E49-I292 HydrophobicContact CG-CD1 4.33Å; E49-I292 HydrophobicContact CG-CG1 3.67Å; E49-K296 IonicContact OE1-NZ 2.74Å; E49-K296 PolarHBondContact OE1-NZ 3.19Å
50I95.9Very high97.3Very high7 Ų752.9 Ų52.94%0.03626%0.257CS..SBendtrans-121.882.1178.6-44.1178.3000109.5K21 I46 Q47 R52 T53 V291 L295 K296K21-I50 HydrophobicContact CD-CG2 3.88Å; I46-I50 PolarHBondContact O-N 3Å; Q47-I50 CarbonylContact O-C 3.58Å; I50-R52 PolarHBondContact O-N 2.9Å; I50-T53 WeakPolarHBondContact CG2-OG1 3.39Å; I50-T53 WeakPolarHBondContact O-CB 3.38Å; I50-T53 PolarHBondContact O-N 3.45Å; I50-T53 VanDerWaalsContact O-N 3.14Å; I50-T53 PolarHBondContact O-OG1 3.02Å; I50-V291 HydrophobicContact CD1-CG1 3.74Å; I50-V291 HydrophobicContact CG1-CG1 3.91Å; I50-L295 HydrophobicContact CD1-CB 3.76Å; I50-L295 WeakPolarHBondContact CD1-O 3.3Å; I50-K296 HydrophobicContact CD1-CB 4.39Å
51P93Very high97.2Very high74 Ų7449.8 Ų49.848%0.48124%0.242SC..THydrogen-bonded Turntrans-56.4137.6-177.2-27.534.4000112.4K21 E49 T53K21-P51 PolarHBondContact NZ-O 3.45Å; E49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-T53 VanDerWaalsContact C-N 3.26Å; P51-T53 PolarHBondContact O-N 3.15Å
52R91.7Very high97Very high251 Ų25151.5 Ų51.595%0.94726%0.258SS*.THydrogen-bonded Turntrans71.35.2-178.1-50.1176.9179.9168.8-0.7115.8I50 Y54I50-R52 PolarHBondContact O-N 2.9Å; R52-Y54 PolarHBondContact O-N 2.83Å
53T95Very high96.9Very high10 Ų1053.3 Ų53.36%0.06127%0.271CS..  trans-67.7129.5170-77.10000110.1V24 I46 I50 P51 V55V24-T53 HydrophobicContact CG2-CG2 3.9Å; I46-T53 HydrophobicContact CG2-CG2 4.13Å; I50-T53 WeakPolarHBondContact CG2-OG1 3.39Å; I50-T53 WeakPolarHBondContact O-CB 3.38Å; I50-T53 PolarHBondContact O-N 3.45Å; I50-T53 VanDerWaalsContact O-N 3.14Å; I50-T53 PolarHBondContact O-OG1 3.02Å; P51-T53 VanDerWaalsContact C-N 3.26Å; P51-T53 PolarHBondContact O-N 3.15Å; T53-V55 HydrophobicContact CG2-CG2 3.97Å
54Y97.6Very high96.7Very high79 Ų7956.1 Ų56.131%0.3129%0.288SS..  trans-76.1131169.5178.9-106.4000109.2P23 V24 R52 K56 D90 N92 L93P23-Y54 CarbonylContact C-O 3.42Å; P23-Y54 WeakPolarHBondContact CA-O 3.41Å; P23-Y54 HydrophobicContact CB-CD1 3.92Å; P23-Y54 HydrophobicContact CB-CG 4.5Å; P23-Y54 WeakPolarHBondContact CB-O 3.44Å; V24-Y54 PolarHBondContact N-O 2.94Å; R52-Y54 PolarHBondContact O-N 2.83Å; Y54-K56 HydrophobicContact CE1-CB 3.96Å; Y54-D90 VanDerWaalsContact CE1-OD2 3.26Å; Y54-D90 WeakPolarHBondContact CE1-OD2 3.45Å; Y54-D90 VanDerWaalsContact CZ-OD2 3.29Å; Y54-D90 PolarHBondContact OH-OD2 3.41Å; Y54-N92 HydrophobicContact CD1-CB 3.42Å; Y54-N92 VanDerWaalsContact CD1-CB 3.42Å; Y54-N92 HydrophobicContact CD2-CB 4.26Å; Y54-N92 HydrophobicContact CE1-CB 3.61Å; Y54-N92 HydrophobicContact CE2-CB 4.43Å; Y54-N92 HydrophobicContact CG-CB 3.76Å; Y54-L93 HydrophobicContact CD1-CD2 4.05Å; Y54-L93 HydrophobicContact CE1-CD2 4.09Å; Y54-L93 HydrophobicContact CE1-CG 4.19Å
55V98.4Very high96.6Very high18 Ų1857.3 Ų57.311%0.10929%0.29CS..EExtended strand (participates in β ladder)trans-126.2124177.9-175.30000108.9V24 I26 A43 I46 Q47 T53V24-V55 HydrophobicContact CB-CG1 4.5Å; V24-V55 HydrophobicContact CB-CG2 4.38Å; V24-V55 CarbonylContact O-C 3.54Å; V24-V55 VanDerWaalsContact O-CA 3.25Å; V24-V55 WeakPolarHBondContact O-CA 3.24Å; I26-V55 HydrophobicContact CD1-CG1 3.94Å; I26-V55 HydrophobicContact CG1-CG1 4.09Å; A43-V55 HydrophobicContact CB-CB 4.39Å; A43-V55 HydrophobicContact CB-CG1 3.69Å; I46-V55 HydrophobicContact CB-CG2 4.14Å; I46-V55 HydrophobicContact CG2-CG2 3.75Å; Q47-V55 HydrophobicContact CG-CB 4.33Å; Q47-V55 HydrophobicContact CG-CG2 3.67Å; T53-V55 HydrophobicContact CG2-CG2 3.97Å
56K98.4Very high96.5Very high56 Ų5661.3 Ų61.324%0.24331%0.308CS..EExtended strand (participates in β ladder)trans-111.6113.4176.8176.868.7178.4-178.30109.3V24 I25 I26 Y54 I58 M86V24-K56 PolarHBondContact O-N 3.18Å; I25-K56 CarbonylContact C-O 3.54Å; I25-K56 VanDerWaalsContact CA-O 3.24Å; I25-K56 WeakPolarHBondContact CA-O 3.46Å; I25-K56 HydrophobicContact CG2-CB 4.31Å; I26-K56 PolarHBondContact N-O 3.47Å; Y54-K56 HydrophobicContact CE1-CB 3.96Å; K56-I58 HydrophobicContact CG-CD1 4.21Å; K56-M86 WeakPolarHBondContact CE-SD 3.48Å
57C98.6Very high96.5Very high21 Ų2161.4 Ų61.414%0.14231%0.308CS..EExtended strand (participates in β ladder)trans-79.1123.1167-53.60000107.3G34 I39G34-C57 WeakPolarHBondContact O-CB 3.26Å; I39-C57 HydrophobicContact CG2-CB 3.83Å
58I98.7Very high96.4Very high0 Ų057.3 Ų57.30%029%0.289CS..  trans-71.6136.2-177.2-61.4-56.6000109.3I25 I26 W27 H28 G34 K56 V83 M86I25-I58 HydrophobicContact CB-CD1 4.06Å; I25-I58 HydrophobicContact CB-CG1 4.24Å; I25-I58 HydrophobicContact CD1-CD1 4.43Å; I25-I58 HydrophobicContact CG2-CD1 4.23Å; I26-I58 PolarHBondContact O-N 3.3Å; W27-I58 HydrophobicContact CB-CB 4.33Å; W27-I58 HydrophobicContact CB-CG1 4.26Å; W27-I58 HydrophobicContact CD2-CB 4.34Å; W27-I58 HydrophobicContact CD2-CG1 4.49Å; W27-I58 HydrophobicContact CD2-CG2 3.91Å; W27-I58 HydrophobicContact CG-CB 4.02Å; W27-I58 HydrophobicContact CG-CG1 4.3Å; W27-I58 HydrophobicContact CG-CG2 4.05Å; W27-I58 HydrophobicContact CZ2-CG2 4.36Å; H28-I58 PolarHBondContact CD2-O 3.12Å; G34-I58 WeakPolarHBondContact CA-O 3.24Å; K56-I58 HydrophobicContact CG-CD1 4.21Å; I58-V83 HydrophobicContact CD1-CG1 3.97Å; I58-V83 HydrophobicContact CG1-CG1 4.39Å; I58-V83 HydrophobicContact CG2-CB 4.46Å; I58-V83 HydrophobicContact CG2-CG1 4.03Å; I58-V83 HydrophobicContact CG2-CG2 3.5Å; I58-M86 HydrophobicContact CD1-SD 4.16Å; I58-M86 HydrophobicContact CG2-CE 4.44Å
59T98Very high96.3Very high23 Ų2355.5 Ų55.514%0.14128%0.277CS..  trans-131.2137.3169.857.30000107.7S61 D67 Y82 M86T59-S61 WeakPolarHBondContact CB-O 3.32Å; T59-D67 WeakPolarHBondContact CA-OD1 3.47Å; T59-Y82 WeakPolarHBondContact O-CE1 3.47Å; T59-M86 WeakPolarHBondContact O-CE 3.25Å
60T97.3Very high96.4Very high9 Ų954 Ų546%0.05527%0.271CS..SBendtrans-87.2-18.9174.754.10000112.2D67 D70 Q79 Y82T60-D67 PolarHBondContact N-OD1 2.85Å; T60-D67 PolarHBondContact OG1-OD1 2.92Å; T60-D70 VanDerWaalsContact CB-OD2 3.25Å; T60-D70 WeakPolarHBondContact CB-OD2 3.12Å; T60-D70 VanDerWaalsContact OG1-CB 3.25Å; T60-D70 WeakPolarHBondContact OG1-CB 3.13Å; T60-D70 PolarHBondContact OG1-OD2 3.15Å; T60-Q79 HydrophobicContact CG2-CB 4.32Å; T60-Q79 HydrophobicContact CG2-CG 4.1Å; T60-Y82 WeakPolarHBondContact O-CE1 3.33Å
61S95.7Very high96.4Very high16 Ų1653.8 Ų53.811%0.11227%0.269CS..  trans-138.9158.6173.1178.70000112.2T59 S63 E66T59-S61 WeakPolarHBondContact CB-O 3.32Å; S61-S63 PolarHBondContact OG-N 2.99Å; S61-E66 WeakPolarHBondContact CB-OE2 3.13Å; S61-E66 PolarHBondContact OG-OE2 2.96Å
62D94.1Very high96.5Very high161 Ų16150.5 Ų50.586%0.86125%0.247SC*.SBendtrans-72.4-20.9167-70.7-32.7000111.8
63S96.7Very high96.8Very high52 Ų5241.5 Ų41.536%0.36422%0.215SC..SBendtrans-82120.9174.6172.30000110.3S61 I65 E66 D67S61-S63 PolarHBondContact OG-N 2.99Å; S63-I65 PolarHBondContact O-N 2.9Å; S63-I65 PolarHBondContact OG-N 2.88Å; S63-E66 PolarHBondContact O-N 3.33Å; S63-E66 PolarHBondContact OG-N 2.98Å; S63-D67 WeakPolarHBondContact O-CB 3.48Å; S63-D67 PolarHBondContact O-N 2.89Å
64V95.2Very high96.9Very high66 Ų6643 Ų4340%0.422%0.222SC..Hα-helixtrans-54.4-36.5175.5157.30000113R33 I68R33-V64 VanDerWaalsContact CD-CG1 3.47Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3.25Å
65I95.4Very high96.9Very high94 Ų9440.8 Ų40.848%0.48222%0.217SC..Hα-helixtrans-75.5-43.4-178.4-65.4171.1000109.8S63 I68 E69S63-I65 PolarHBondContact O-N 2.9Å; S63-I65 PolarHBondContact OG-N 2.88Å; I65-I68 WeakPolarHBondContact O-CB 3.14Å; I65-I68 PolarHBondContact O-N 2.92Å; I65-I68 VanDerWaalsContact O-N 3.16Å; I65-E69 HydrophobicContact CG2-CG 4.27Å; I65-E69 WeakPolarHBondContact O-CG 3.28Å; I65-E69 PolarHBondContact O-N 3.19Å
66E96.8Very high96.9Very high90 Ų9039.9 Ų39.942%0.42121%0.212SC..Hα-helixtrans-66.4-39.6179.8-168.6174.7-157.300110.9S61 S63 I68 E69 D70S61-E66 WeakPolarHBondContact CB-OE2 3.13Å; S61-E66 PolarHBondContact OG-OE2 2.96Å; S63-E66 PolarHBondContact O-N 3.33Å; S63-E66 PolarHBondContact OG-N 2.98Å; E66-I68 PolarHBondContact O-N 3.07Å; E66-E69 PolarHBondContact O-N 3.12Å; E66-E69 VanDerWaalsContact O-N 3.12Å; E66-D70 WeakPolarHBondContact O-CB 3.41Å; E66-D70 PolarHBondContact O-N 2.9Å
67D97.5Very high96.9Very high2 Ų239.3 Ų39.31%0.01121%0.212CC..Hα-helixtrans-56.9-33.6173.5-16538.7000112.3H28 R33 G34 T59 T60 S63 T71H28-D67 IonicContact NE2-OD1 3.66Å; H28-D67 IonicContact NE2-OD2 3.67Å; R33-D67 VanDerWaalsContact CA-OD2 3.28Å; R33-D67 WeakPolarHBondContact CA-OD2 3.47Å; R33-D67 HydrophobicContact CB-CB 4.25Å; R33-D67 WeakPolarHBondContact CB-OD2 3.42Å; G34-D67 PolarHBondContact N-OD2 2.83Å; T59-D67 WeakPolarHBondContact CA-OD1 3.47Å; T60-D67 PolarHBondContact N-OD1 2.85Å; T60-D67 PolarHBondContact OG1-OD1 2.92Å; S63-D67 WeakPolarHBondContact O-CB 3.48Å; S63-D67 PolarHBondContact O-N 2.89Å; D67-T71 WeakPolarHBondContact O-CG2 3.45Å
68I95.8Very high96.9Very high0 Ų042.2 Ų42.20%023%0.226CC..Hα-helixtrans-77.6-47.7174.4-63.5169.5000110.7R33 V64 I65 E66 D70 T71 Y72 F145R33-I68 HydrophobicContact CB-CG1 3.93Å; R33-I68 HydrophobicContact CG-CG1 4.48Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3.25Å; I65-I68 WeakPolarHBondContact O-CB 3.14Å; I65-I68 PolarHBondContact O-N 2.92Å; I65-I68 VanDerWaalsContact O-N 3.16Å; E66-I68 PolarHBondContact O-N 3.07Å; I68-D70 VanDerWaalsContact C-N 3.28Å; I68-D70 PolarHBondContact O-N 3.35Å; I68-T71 WeakPolarHBondContact O-CB 3.38Å; I68-T71 PolarHBondContact O-N 3.1Å; I68-T71 VanDerWaalsContact O-N 3.14Å; I68-T71 PolarHBondContact O-OG1 3.21Å; I68-Y72 HydrophobicContact CG2-CE2 4.3Å; I68-Y72 WeakPolarHBondContact O-CD2 3.18Å; I68-F145 HydrophobicContact CD1-CD2 4.13Å; I68-F145 HydrophobicContact CD1-CE1 4.19Å; I68-F145 HydrophobicContact CD1-CE2 3.39Å; I68-F145 HydrophobicContact CD1-CZ 3.42Å; I68-F145 VanDerWaalsContact CD1-CZ 3.42Å; I68-F145 HydrophobicContact CG2-CD1 4.12Å; I68-F145 HydrophobicContact CG2-CD2 4.19Å; I68-F145 HydrophobicContact CG2-CE1 4.32Å; I68-F145 HydrophobicContact CG2-CE2 4.41Å; I68-F145 HydrophobicContact CG2-CG 4.04Å; I68-F145 HydrophobicContact CG2-CZ 4.46Å
69E95.8Very high96.9Very high83 Ų8342.2 Ų42.239%0.38823%0.226SC..Hα-helixtrans-59.8-38.1-179.7-73.6178.8157.500111.8I65 E66 T71 Y72 F73 L148I65-E69 HydrophobicContact CG2-CG 4.27Å; I65-E69 WeakPolarHBondContact O-CG 3.28Å; I65-E69 PolarHBondContact O-N 3.19Å; E66-E69 PolarHBondContact O-N 3.12Å; E66-E69 VanDerWaalsContact O-N 3.12Å; E69-T71 PolarHBondContact O-N 3.49Å; E69-Y72 WeakPolarHBondContact O-CA 3.15Å; E69-Y72 WeakPolarHBondContact O-CB 3.36Å; E69-Y72 PolarHBondContact O-N 3.4Å; E69-F73 WeakPolarHBondContact O-CD2 3.44Å; E69-F73 PolarHBondContact O-N 3.41Å; E69-L148 HydrophobicContact CG-CD1 4.02Å
70D98.1Very high97Very high22 Ų2241.1 Ų41.112%0.11822%0.219CC..Hα-helixtrans-59.3-33.7177-73.8-16.1000111.9T60 E66 I68 Y72 F73 M74 Q79T60-D70 VanDerWaalsContact CB-OD2 3.25Å; T60-D70 WeakPolarHBondContact CB-OD2 3.12Å; T60-D70 VanDerWaalsContact OG1-CB 3.25Å; T60-D70 WeakPolarHBondContact OG1-CB 3.13Å; T60-D70 PolarHBondContact OG1-OD2 3.15Å; E66-D70 WeakPolarHBondContact O-CB 3.41Å; E66-D70 PolarHBondContact O-N 2.9Å; I68-D70 VanDerWaalsContact C-N 3.28Å; I68-D70 PolarHBondContact O-N 3.35Å; D70-Y72 PolarHBondContact O-N 3.19Å; D70-Y72 VanDerWaalsContact O-N 3.13Å; D70-F73 PolarHBondContact O-N 3.31Å; D70-M74 HydrophobicContact CB-CB 3.71Å; D70-M74 HydrophobicContact CB-SD 4.21Å; D70-M74 PolarHBondContact O-N 3.2Å; D70-M74 VanDerWaalsContact O-N 3.1Å; D70-Q79 PolarHBondContact O-NE2 2.85Å
71T96.8Very high97Very high2 Ų245.6 Ų45.61%0.01224%0.243CC..Hα-helixtrans-64.9-16.3176.275.30000113.8G31 D67 I68 E69 Q104 V170 Q171G31-T71 PolarHBondContact N-OG1 3.39Å; D67-T71 WeakPolarHBondContact O-CG2 3.45Å; I68-T71 WeakPolarHBondContact O-CB 3.38Å; I68-T71 PolarHBondContact O-N 3.1Å; I68-T71 VanDerWaalsContact O-N 3.14Å; I68-T71 PolarHBondContact O-OG1 3.21Å; E69-T71 PolarHBondContact O-N 3.49Å; T71-Q104 PolarHBondContact O-NE2 2.6Å; T71-Q104 VanDerWaalsContact O-NE2 3.16Å; T71-V170 WeakPolarHBondContact O-CB 3.33Å; T71-Q171 PolarHBondContact O-NE2 3.49Å
72Y95.5Very high97.2Very high5 Ų548 Ų482%0.0225%0.25CC..Hα-helixtrans-103.6-42.3174.5-65.6-84.7000112.1M30 I68 E69 D70 L148 C149 M152 L169 V170M30-Y72 HydrophobicContact CG-CD1 4.03Å; M30-Y72 HydrophobicContact CG-CE1 3.45Å; M30-Y72 VanDerWaalsContact CG-CE1 3.45Å; M30-Y72 HydrophobicContact CG-CE2 4.28Å; M30-Y72 HydrophobicContact SD-CD1 4.28Å; M30-Y72 HydrophobicContact SD-CE1 3.7Å; I68-Y72 HydrophobicContact CG2-CE2 4.3Å; I68-Y72 WeakPolarHBondContact O-CD2 3.18Å; E69-Y72 WeakPolarHBondContact O-CA 3.15Å; E69-Y72 WeakPolarHBondContact O-CB 3.36Å; E69-Y72 PolarHBondContact O-N 3.4Å; D70-Y72 PolarHBondContact O-N 3.19Å; D70-Y72 VanDerWaalsContact O-N 3.13Å; Y72-L148 HydrophobicContact CD2-CB 4.19Å; Y72-L148 HydrophobicContact CD2-CD1 4.12Å; Y72-L148 HydrophobicContact CE1-CB 4.48Å; Y72-L148 HydrophobicContact CE2-CB 4.15Å; Y72-L148 HydrophobicContact CE2-CD1 4.25Å; Y72-L148 HydrophobicContact CG-CB 4.37Å; Y72-C149 HydrophobicContact CE1-CB 4.33Å; Y72-M152 HydrophobicContact CD1-CB 4.3Å; Y72-M152 HydrophobicContact CD1-SD 3.89Å; Y72-M152 HydrophobicContact CE1-SD 3.9Å; Y72-L169 WeakPolarHBondContact O-CA 3.28Å; Y72-V170 WeakPolarHBondContact O-CB 3.4Å; Y72-V170 WeakPolarHBondContact O-CG2 3.41Å; Y72-V170 PolarHBondContact O-N 2.95Å
73F96.6Very high97.4Very high62 Ų6240.3 Ų40.327%0.27221%0.209SC..Hα-helixtrans-122.8-15.7-161.7-52.9-64.7000116.3E69 D70 L148 L151 H168 L169E69-F73 WeakPolarHBondContact O-CD2 3.44Å; E69-F73 PolarHBondContact O-N 3.41Å; D70-F73 PolarHBondContact O-N 3.31Å; F73-L148 HydrophobicContact CE2-CB 4.41Å; F73-L148 HydrophobicContact CE2-CD1 4.45Å; F73-L148 HydrophobicContact CE2-CD2 3.97Å; F73-L148 HydrophobicContact CZ-CD2 4.37Å; F73-L151 HydrophobicContact CE1-CD2 4.36Å; F73-L151 HydrophobicContact CZ-CD2 4.09Å; F73-H168 VanDerWaalsContact CA-O 3.3Å; F73-H168 WeakPolarHBondContact CA-O 3.29Å; F73-L169 HydrophobicContact CD1-CD1 4.15Å; F73-L169 HydrophobicContact CE1-CD1 3.96Å
74M97.9Very high97.4Very high42 Ų4238.4 Ų38.421%0.20720%0.195CC..SBendtrans-81.3125.2176.7-174.1-179.3-175.200109.6D70 I76 D78 Q79 V170D70-M74 HydrophobicContact CB-CB 3.71Å; D70-M74 HydrophobicContact CB-SD 4.21Å; D70-M74 PolarHBondContact O-N 3.2Å; D70-M74 VanDerWaalsContact O-N 3.1Å; M74-I76 PolarHBondContact O-N 2.8Å; M74-D78 HydrophobicContact CE-CB 3.73Å; M74-D78 HydrophobicContact CG-CB 4.29Å; M74-Q79 HydrophobicContact CB-CG 3.91Å; M74-Q79 HydrophobicContact CE-CG 4.44Å; M74-Q79 HydrophobicContact CG-CG 3.69Å; M74-Q79 PolarHBondContact O-NE2 2.78Å; M74-Q79 HydrophobicContact SD-CB 4.46Å; M74-Q79 HydrophobicContact SD-CG 3.52Å; M74-Q79 VanDerWaalsContact SD-CG 3.52Å; M74-V170 WeakPolarHBondContact O-CG2 3.36Å
75P98.2Very high97.6Very high32 Ų3240.6 Ų40.621%0.20820%0.196CC..  trans-52.8139.9-179.5-26.534.7000112.8N77 D78 Q79 S167P75-N77 VanDerWaalsContact C-N 3.29Å; P75-N77 PolarHBondContact O-N 3.44Å; P75-D78 HydrophobicContact CB-CB 4.31Å; P75-D78 WeakPolarHBondContact CG-OD2 3.44Å; P75-D78 WeakPolarHBondContact O-CB 3.27Å; P75-D78 PolarHBondContact O-N 3Å; P75-Q79 PolarHBondContact O-N 3.35Å; P75-S167 WeakPolarHBondContact CG-O 3.46Å
76I98.6Very high97.7Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-63.1-39-171.1-58.6168.6000111M74 D78 Q79 L80 F108 V170 Q173 Y174 F190M74-I76 PolarHBondContact O-N 2.8Å; I76-D78 VanDerWaalsContact C-N 3.28Å; I76-D78 PolarHBondContact O-N 3.41Å; I76-Q79 WeakPolarHBondContact O-CB 3.23Å; I76-Q79 PolarHBondContact O-N 2.69Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.23Å; I76-L80 WeakPolarHBondContact O-CB 3.33Å; I76-L80 VanDerWaalsContact O-CG 3.24Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 2.89Å; I76-F108 HydrophobicContact CB-CE1 4.37Å; I76-F108 HydrophobicContact CD1-CE1 3.81Å; I76-F108 HydrophobicContact CD1-CZ 4.25Å; I76-F108 HydrophobicContact CG1-CE1 3.86Å; I76-F108 HydrophobicContact CG1-CZ 3.89Å; I76-F108 HydrophobicContact CG2-CD1 3.84Å; I76-F108 HydrophobicContact CG2-CE1 3.55Å; I76-F108 HydrophobicContact CG2-CZ 3.98Å; I76-V170 HydrophobicContact CD1-CG1 4.02Å; I76-V170 HydrophobicContact CG1-CB 4.46Å; I76-V170 HydrophobicContact CG1-CG1 3.77Å; I76-V170 HydrophobicContact CG1-CG2 4.44Å; I76-Q173 HydrophobicContact CD1-CB 3.54Å; I76-Q173 HydrophobicContact CD1-CG 4.49Å; I76-Q173 HydrophobicContact CG1-CB 4.27Å; I76-Y174 HydrophobicContact CD1-CD1 3.76Å; I76-Y174 HydrophobicContact CD1-CE1 4.32Å; I76-F190 HydrophobicContact CB-CD1 4.37Å; I76-F190 HydrophobicContact CB-CD2 3.95Å; I76-F190 HydrophobicContact CB-CE1 4.41Å; I76-F190 HydrophobicContact CB-CE2 4.04Å; I76-F190 HydrophobicContact CB-CG 4.11Å; I76-F190 HydrophobicContact CB-CZ 4.23Å; I76-F190 HydrophobicContact CD1-CB 4.33Å; I76-F190 HydrophobicContact CD1-CD1 3.39Å; I76-F190 HydrophobicContact CD1-CD2 4.46Å; I76-F190 HydrophobicContact CD1-CE1 3.65Å; I76-F190 HydrophobicContact CD1-CG 3.82Å; I76-F190 HydrophobicContact CD1-CZ 4.3Å; I76-F190 HydrophobicContact CG1-CD1 4.48Å; I76-F190 HydrophobicContact CG2-CD1 4.28Å; I76-F190 HydrophobicContact CG2-CD2 3.83Å; I76-F190 HydrophobicContact CG2-CE1 3.84Å; I76-F190 HydrophobicContact CG2-CE2 3.38Å; I76-F190 HydrophobicContact CG2-CG 4.25Å; I76-F190 HydrophobicContact CG2-CZ 3.34Å
77N98.5Very high97.7Very high43 Ų4333.1 Ų33.123%0.2316%0.16CC..Hα-helixtrans-62.9-35.4176.4-69.4-48.1000112.1P75 L80 D81 K115 Q189P75-N77 VanDerWaalsContact C-N 3.29Å; P75-N77 PolarHBondContact O-N 3.44Å; N77-L80 PolarHBondContact O-N 2.82Å; N77-D81 WeakPolarHBondContact O-CB 3.25Å; N77-D81 PolarHBondContact O-N 2.98Å; N77-K115 PolarHBondContact OD1-NZ 3.36Å; N77-Q189 PolarHBondContact ND2-O 3.09Å
78D98.6Very high97.7Very high82 Ų8238.1 Ų38.144%0.43918%0.183SC..Hα-helixtrans-69.4-40.1176.8-61.4-6.5000110.8M74 P75 I76 L80 D81 Y82M74-D78 HydrophobicContact CE-CB 3.73Å; M74-D78 HydrophobicContact CG-CB 4.29Å; P75-D78 HydrophobicContact CB-CB 4.31Å; P75-D78 WeakPolarHBondContact CG-OD2 3.44Å; P75-D78 WeakPolarHBondContact O-CB 3.27Å; P75-D78 PolarHBondContact O-N 3Å; I76-D78 VanDerWaalsContact C-N 3.28Å; I76-D78 PolarHBondContact O-N 3.41Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-D81 PolarHBondContact O-N 3.33Å; D78-Y82 WeakPolarHBondContact O-CB 2.97Å; D78-Y82 PolarHBondContact O-N 2.88Å
79Q98.7Very high97.8Very high1 Ų144.1 Ų44.11%0.00521%0.211CC..Hα-helixtrans-60.6-45.1172.5-67.7-174.151.800111.1W27 T60 D70 M74 P75 I76 Y82 V83W27-Q79 HydrophobicContact CH2-CB 4.39Å; W27-Q79 HydrophobicContact CZ2-CB 4.13Å; T60-Q79 HydrophobicContact CG2-CB 4.32Å; T60-Q79 HydrophobicContact CG2-CG 4.1Å; D70-Q79 PolarHBondContact O-NE2 2.85Å; M74-Q79 HydrophobicContact CB-CG 3.91Å; M74-Q79 HydrophobicContact CE-CG 4.44Å; M74-Q79 HydrophobicContact CG-CG 3.69Å; M74-Q79 PolarHBondContact O-NE2 2.78Å; M74-Q79 HydrophobicContact SD-CB 4.46Å; M74-Q79 HydrophobicContact SD-CG 3.52Å; M74-Q79 VanDerWaalsContact SD-CG 3.52Å; P75-Q79 PolarHBondContact O-N 3.35Å; I76-Q79 WeakPolarHBondContact O-CB 3.23Å; I76-Q79 PolarHBondContact O-N 2.69Å; Q79-Y82 PolarHBondContact O-N 3.27Å; Q79-V83 WeakPolarHBondContact O-CB 3.43Å; Q79-V83 VanDerWaalsContact O-CG2 3.28Å; Q79-V83 WeakPolarHBondContact O-CG2 3.4Å; Q79-V83 PolarHBondContact O-N 2.97Å
80L98.7Very high97.8Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-61.7-45.9177.6-70.4169.3000111.3W27 I76 N77 D78 Y82 V83 C84 A111 L112 K115 F190W27-L80 HydrophobicContact CH2-CD2 3.9Å; W27-L80 HydrophobicContact CZ3-CD2 3.82Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.23Å; I76-L80 WeakPolarHBondContact O-CB 3.33Å; I76-L80 VanDerWaalsContact O-CG 3.24Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 2.89Å; N77-L80 PolarHBondContact O-N 2.82Å; D78-L80 VanDerWaalsContact C-N 3.34Å; L80-Y82 PolarHBondContact O-N 2.81Å; L80-V83 PolarHBondContact O-N 2.84Å; L80-C84 WeakPolarHBondContact O-CB 3.48Å; L80-C84 PolarHBondContact O-N 3.38Å; L80-C84 PolarHBondContact O-SG 3.18Å; L80-A111 HydrophobicContact CD1-CB 3.63Å; L80-A111 HydrophobicContact CD2-CB 3.98Å; L80-A111 HydrophobicContact CG-CB 4.49Å; L80-L112 HydrophobicContact CD2-CB 4.49Å; L80-L112 HydrophobicContact CD2-CD2 3.56Å; L80-L112 HydrophobicContact CD2-CG 3.72Å; L80-K115 HydrophobicContact CD1-CD 4.13Å; L80-F190 HydrophobicContact CD1-CE2 3.6Å; L80-F190 HydrophobicContact CD1-CZ 4.24Å
81D98.5Very high97.7Very high103 Ų10349.1 Ų49.155%0.55123%0.231SC*.Hα-helixtrans-62.7-42.8178.7-76.4-12.9000111.7N77 D78 R85N77-D81 WeakPolarHBondContact O-CB 3.25Å; N77-D81 PolarHBondContact O-N 2.98Å; D78-D81 PolarHBondContact O-N 3.33Å; D81-R85 PolarHBondContact O-N 3.25Å; D81-R85 VanDerWaalsContact O-N 3.09Å
82Y98.4Very high97.7Very high65 Ų6553.4 Ų53.426%0.25526%0.255SS..Hα-helixtrans-58.9-49.3174.2-180-84.3000111.4T59 T60 D78 Q79 L80 R85 M86T59-Y82 WeakPolarHBondContact O-CE1 3.47Å; T60-Y82 WeakPolarHBondContact O-CE1 3.33Å; D78-Y82 WeakPolarHBondContact O-CB 2.97Å; D78-Y82 PolarHBondContact O-N 2.88Å; Q79-Y82 PolarHBondContact O-N 3.27Å; L80-Y82 PolarHBondContact O-N 2.81Å; Y82-R85 PolarHBondContact O-N 3.42Å; Y82-M86 HydrophobicContact CD1-CE 4.28Å; Y82-M86 HydrophobicContact CE1-CE 3.7Å; Y82-M86 PolarHBondContact O-N 3.23Å
83V98.4Very high97.8Very high0 Ų053.4 Ų53.40%026%0.255CS..Hα-helixtrans-71.6-37.5-177.6173.40000111.8W27 I58 Q79 L80 R85 M86 I87 L112W27-V83 HydrophobicContact CE3-CG1 4.26Å; W27-V83 HydrophobicContact CH2-CB 3.78Å; W27-V83 HydrophobicContact CH2-CG1 4.09Å; W27-V83 HydrophobicContact CH2-CG2 3.59Å; W27-V83 HydrophobicContact CZ2-CB 4.39Å; W27-V83 HydrophobicContact CZ2-CG2 3.69Å; W27-V83 HydrophobicContact CZ3-CB 4.03Å; W27-V83 HydrophobicContact CZ3-CG1 3.83Å; W27-V83 HydrophobicContact CZ3-CG2 4.17Å; I58-V83 HydrophobicContact CD1-CG1 3.97Å; I58-V83 HydrophobicContact CG1-CG1 4.39Å; I58-V83 HydrophobicContact CG2-CB 4.46Å; I58-V83 HydrophobicContact CG2-CG1 4.03Å; I58-V83 HydrophobicContact CG2-CG2 3.5Å; Q79-V83 WeakPolarHBondContact O-CB 3.43Å; Q79-V83 VanDerWaalsContact O-CG2 3.28Å; Q79-V83 WeakPolarHBondContact O-CG2 3.4Å; Q79-V83 PolarHBondContact O-N 2.97Å; L80-V83 PolarHBondContact O-N 2.84Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 2.85Å; V83-M86 HydrophobicContact CG2-CE 4.48Å; V83-M86 PolarHBondContact O-N 2.9Å; V83-I87 HydrophobicContact CG1-CD1 3.68Å; V83-I87 HydrophobicContact CG1-CG1 4.22Å; V83-I87 WeakPolarHBondContact O-CB 3.47Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 3.34Å; V83-I87 PolarHBondContact O-N 3.43Å; V83-L112 HydrophobicContact CB-CD2 4.32Å; V83-L112 HydrophobicContact CG1-CD1 4.04Å; V83-L112 HydrophobicContact CG1-CD2 4.01Å
84C98.2Very high97.6Very high13 Ų1353.3 Ų53.39%0.08826%0.262CS..Hα-helixtrans-54.4-50.2171.6-66.80000109.5L80 I87 H88 C116L80-C84 WeakPolarHBondContact O-CB 3.48Å; L80-C84 PolarHBondContact O-N 3.38Å; L80-C84 PolarHBondContact O-SG 3.18Å; C84-I87 PolarHBondContact O-N 3.45Å; C84-H88 WeakPolarHBondContact O-CB 3.19Å; C84-H88 PolarHBondContact O-CD2 3.16Å; C84-H88 PolarHBondContact O-N 2.99Å; C84-C116 HydrophobicContact CB-CB 3.93Å; C84-C116 WeakPolarHBondContact CB-SG 3.3Å; C84-C116 WeakPolarHBondContact SG-CB 3.07Å; C84-C116 CovalentContact SG-SG 2.02Å; C84-C116 PolarHBondContact SG-SG 3.44Å
85R98.1Very high97.4Very high111 Ų11156 Ų5642%0.41928%0.277SS..Hα-helixtrans-63.1-46.3180-179.2178.752.468.97.7111.8D81 Y82 V83 I87 H88 E89D81-R85 PolarHBondContact O-N 3.25Å; D81-R85 VanDerWaalsContact O-N 3.09Å; Y82-R85 PolarHBondContact O-N 3.42Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 2.85Å; R85-I87 VanDerWaalsContact C-N 3.3Å; R85-I87 PolarHBondContact O-N 3.36Å; R85-H88 PolarHBondContact O-N 3.49Å; R85-H88 VanDerWaalsContact O-N 3.17Å; R85-E89 HydrophobicContact CG-CG 4.4Å; R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 2.98Å; R85-E89 IonicContact NH1-OE1 3.68Å; R85-E89 IonicContact NH1-OE2 3.35Å; R85-E89 PolarHBondContact NH1-OE2 2.69Å; R85-E89 WeakPolarHBondContact O-CG 3.31Å; R85-E89 PolarHBondContact O-N 3.17Å
86M97.3Very high97.2Very high25 Ų2554.5 Ų54.512%0.12327%0.267CS..Hα-helixtrans-55.6-46.3175.9-176.3-143.6-64.800111.5K56 I58 T59 Y82 V83 H88 E89 D90K56-M86 WeakPolarHBondContact CE-SD 3.48Å; I58-M86 HydrophobicContact CD1-SD 4.16Å; I58-M86 HydrophobicContact CG2-CE 4.44Å; T59-M86 WeakPolarHBondContact O-CE 3.25Å; Y82-M86 HydrophobicContact CD1-CE 4.28Å; Y82-M86 HydrophobicContact CE1-CE 3.7Å; Y82-M86 PolarHBondContact O-N 3.23Å; V83-M86 HydrophobicContact CG2-CE 4.48Å; V83-M86 PolarHBondContact O-N 2.9Å; M86-H88 VanDerWaalsContact C-N 3.35Å; M86-E89 PolarHBondContact O-N 3.31Å; M86-D90 PolarHBondContact O-N 2.9Å; M86-D90 VanDerWaalsContact O-N 3.15Å
87I97.7Very high97.2Very high3 Ų354.5 Ų54.52%0.01527%0.268CS..Hα-helixtrans-64.8-41.1179-67.2166.2000110.9I25 V83 C84 R85 E89 D90 L93 L97 L112 F118I25-I87 HydrophobicContact CD1-CD1 3.77Å; V83-I87 HydrophobicContact CG1-CD1 3.68Å; V83-I87 HydrophobicContact CG1-CG1 4.22Å; V83-I87 WeakPolarHBondContact O-CB 3.47Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 3.34Å; V83-I87 PolarHBondContact O-N 3.43Å; C84-I87 PolarHBondContact O-N 3.45Å; R85-I87 VanDerWaalsContact C-N 3.3Å; R85-I87 PolarHBondContact O-N 3.36Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.33Å; I87-D90 PolarHBondContact O-N 3.27Å; I87-L93 HydrophobicContact CB-CD1 4.2Å; I87-L93 HydrophobicContact CG1-CD1 4.02Å; I87-L93 HydrophobicContact CG2-CB 3.9Å; I87-L93 HydrophobicContact CG2-CD1 3.92Å; I87-L97 HydrophobicContact CD1-CD1 4.4Å; I87-L97 HydrophobicContact CG2-CD1 4.14Å; I87-L112 HydrophobicContact CD1-CD1 4.1Å; I87-F118 HydrophobicContact CB-CE1 4.35Å; I87-F118 HydrophobicContact CD1-CE1 4.2Å; I87-F118 HydrophobicContact CD1-CZ 4.29Å; I87-F118 HydrophobicContact CG2-CD1 4.24Å; I87-F118 HydrophobicContact CG2-CE1 3.67Å
88H97.5Very high97.2Very high107 Ų10753 Ų5350%0.49526%0.259SS..Hα-helixtrans-65.8-31.3177.9-82.1-61.6000113.9C84 R85 M86 N117C84-H88 WeakPolarHBondContact O-CB 3.19Å; C84-H88 PolarHBondContact O-CD2 3.16Å; C84-H88 PolarHBondContact O-N 2.99Å; R85-H88 PolarHBondContact O-N 3.49Å; R85-H88 VanDerWaalsContact O-N 3.17Å; M86-H88 VanDerWaalsContact C-N 3.35Å; H88-N117 PolarHBondContact CE1-O 2.77Å; H88-N117 PolarHBondContact NE2-O 2.99Å
89E97Very high97.2Very high125 Ų12549 Ų4958%0.58424%0.238SC*.Hα-helixtrans-81.4-21.8178.3-71.2169.317900112.6R85 M86 I87 K91R85-E89 HydrophobicContact CG-CG 4.4Å; R85-E89 VanDerWaalsContact CG-OE1 3.23Å; R85-E89 WeakPolarHBondContact CG-OE1 2.98Å; R85-E89 IonicContact NH1-OE1 3.68Å; R85-E89 IonicContact NH1-OE2 3.35Å; R85-E89 PolarHBondContact NH1-OE2 2.69Å; R85-E89 WeakPolarHBondContact O-CG 3.31Å; R85-E89 PolarHBondContact O-N 3.17Å; M86-E89 PolarHBondContact O-N 3.31Å; I87-E89 VanDerWaalsContact C-N 3.32Å; I87-E89 PolarHBondContact O-N 3.33Å; E89-K91 PolarHBondContact O-N 3.34Å
90D97.3Very high97.2Very high26 Ų2649 Ų4914%0.13924%0.238CC..  trans-81.3107177.4-167.9-21.1000111.8Y54 M86 I87 N92 L93Y54-D90 VanDerWaalsContact CE1-OD2 3.26Å; Y54-D90 WeakPolarHBondContact CE1-OD2 3.45Å; Y54-D90 VanDerWaalsContact CZ-OD2 3.29Å; Y54-D90 PolarHBondContact OH-OD2 3.41Å; M86-D90 PolarHBondContact O-N 2.9Å; M86-D90 VanDerWaalsContact O-N 3.15Å; I87-D90 PolarHBondContact O-N 3.27Å; D90-N92 PolarHBondContact O-N 3.38Å; D90-N92 VanDerWaalsContact O-N 3.07Å; D90-N92 WeakPolarHBondContact OD1-CB 3.43Å; D90-N92 PolarHBondContact OD1-N 3.35Å; D90-N92 PolarHBondContact OD1-ND2 3.31Å; D90-L93 HydrophobicContact CB-CB 4.35Å; D90-L93 HydrophobicContact CB-CD1 3.92Å; D90-L93 HydrophobicContact CB-CG 4.07Å; D90-L93 PolarHBondContact O-N 2.96Å
91K96.2Very high97.3Very high184 Ų18449 Ų4980%0.824%0.238SC*.THydrogen-bonded Turntrans-59.3-20.9178.8-65.8-179.7-178.5175.40114.1E89 L93 S94E89-K91 PolarHBondContact O-N 3.34Å; K91-L93 VanDerWaalsContact C-N 3.27Å; K91-S94 PolarHBondContact O-OG 2.95Å; K91-S94 VanDerWaalsContact O-OG 3.1Å
92N96.2Very high97.3Very high93 Ų9344.6 Ų44.650%0.49721%0.214SC..THydrogen-bonded Turntrans-76-19.8176.3-58.1-66.8000112P23 Y54 D90P23-N92 WeakPolarHBondContact CG-O 3.33Å; Y54-N92 HydrophobicContact CD1-CB 3.42Å; Y54-N92 VanDerWaalsContact CD1-CB 3.42Å; Y54-N92 HydrophobicContact CD2-CB 4.26Å; Y54-N92 HydrophobicContact CE1-CB 3.61Å; Y54-N92 HydrophobicContact CE2-CB 4.43Å; Y54-N92 HydrophobicContact CG-CB 3.76Å; D90-N92 PolarHBondContact O-N 3.38Å; D90-N92 VanDerWaalsContact O-N 3.07Å; D90-N92 WeakPolarHBondContact OD1-CB 3.43Å; D90-N92 PolarHBondContact OD1-N 3.35Å; D90-N92 PolarHBondContact OD1-ND2 3.31Å
93L97.1Very high97.3Very high4 Ų442.4 Ų42.42%0.02121%0.208CC..THydrogen-bonded Turntrans-101.6-3.7-176.4-58.2177.8000113.6P23 I25 Y54 I87 D90 K91 N95 G96 L97P23-L93 HydrophobicContact CB-CD2 3.54Å; P23-L93 HydrophobicContact CG-CD2 3.48Å; P23-L93 VanDerWaalsContact CG-CD2 3.48Å; I25-L93 HydrophobicContact CG2-CD1 3.92Å; I25-L93 HydrophobicContact CG2-CD2 4.03Å; Y54-L93 HydrophobicContact CD1-CD2 4.05Å; Y54-L93 HydrophobicContact CE1-CD2 4.09Å; Y54-L93 HydrophobicContact CE1-CG 4.19Å; I87-L93 HydrophobicContact CB-CD1 4.2Å; I87-L93 HydrophobicContact CG1-CD1 4.02Å; I87-L93 HydrophobicContact CG2-CB 3.9Å; I87-L93 HydrophobicContact CG2-CD1 3.92Å; D90-L93 HydrophobicContact CB-CB 4.35Å; D90-L93 HydrophobicContact CB-CD1 3.92Å; D90-L93 HydrophobicContact CB-CG 4.07Å; D90-L93 PolarHBondContact O-N 2.96Å; K91-L93 VanDerWaalsContact C-N 3.27Å; L93-N95 PolarHBondContact O-N 3.4Å; L93-G96 PolarHBondContact O-N 3.17Å; L93-L97 HydrophobicContact CD2-CB 4.38Å
94S92.5Very high97.2Very high61 Ų6142.5 Ų42.543%0.42721%0.209SC..THydrogen-bonded Turntrans-70.8-28.2-17059.90000115.1K91 G96 S119K91-S94 PolarHBondContact O-OG 2.95Å; K91-S94 VanDerWaalsContact O-OG 3.1Å; S94-G96 VanDerWaalsContact C-N 3.31Å; S94-S119 PolarHBondContact O-OG 2.86Å
95N92.7Very high97.3Very high97 Ų9741.9 Ų41.952%0.51920%0.204SC..THydrogen-bonded Turntrans-90.13.5-179-67.8-13.3000113.5E20 L93E20-N95 WeakPolarHBondContact OE1-CB 3.38Å; E20-N95 PolarHBondContact OE1-ND2 3.47Å; L93-N95 PolarHBondContact O-N 3.4Å
96G95.9Very high97.3Very high1 Ų136.6 Ų36.61%0.0118%0.184CC..  trans121171179.800000112.3P23 L93 S94 S119 K120P23-G96 WeakPolarHBondContact CD-O 3.41Å; P23-G96 WeakPolarHBondContact CG-O 3.41Å; L93-G96 PolarHBondContact O-N 3.17Å; S94-G96 VanDerWaalsContact C-N 3.31Å; G96-S119 PolarHBondContact N-OG 2.94Å; G96-K120 CarbonylContact C-O 3.55Å; G96-K120 WeakPolarHBondContact CA-O 3.43Å
97L98.2Very high97.4Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-159.3154.8-172.365.6168.8000112.6P23 I25 I87 L93 M99 F118 K120 G122P23-L97 HydrophobicContact CG-CB 4.03Å; P23-L97 CarbonylContact O-C 3.48Å; P23-L97 WeakPolarHBondContact O-CA 3.43Å; I25-L97 HydrophobicContact CD1-CD1 3.91Å; I25-L97 HydrophobicContact CG1-CD1 4.06Å; I25-L97 HydrophobicContact CG2-CD1 3.72Å; I87-L97 HydrophobicContact CD1-CD1 4.4Å; I87-L97 HydrophobicContact CG2-CD1 4.14Å; L93-L97 HydrophobicContact CD2-CB 4.38Å; L97-M99 HydrophobicContact CD1-CE 3.87Å; L97-M99 HydrophobicContact CD1-CG 4.17Å; L97-M99 HydrophobicContact CD2-CE 4.01Å; L97-M99 HydrophobicContact CG-CE 3.9Å; L97-M99 HydrophobicContact CG-CG 4.28Å; L97-F118 HydrophobicContact CD2-CB 4.21Å; L97-F118 HydrophobicContact CD2-CD1 3.67Å; L97-F118 HydrophobicContact CD2-CE1 4.19Å; L97-F118 HydrophobicContact CD2-CG 3.93Å; L97-K120 PolarHBondContact N-O 2.83Å; L97-G122 PolarHBondContact O-N 3.42Å
98H98.6Very high97.4Very high10 Ų1035.2 Ų35.25%0.04618%0.178CC..EExtended strand (participates in β ladder)trans-88.6155.1156.7-63.9-56.7000110P23 V24 I25 T123 L295P23-H98 PolarHBondContact O-N 3.01Å; V24-H98 WeakPolarHBondContact CA-O 3.46Å; V24-H98 HydrophobicContact CB-CB 4.42Å; V24-H98 HydrophobicContact CG1-CB 4.19Å; V24-H98 HydrophobicContact CG2-CB 4.08Å; I25-H98 PolarHBondContact N-O 3Å; H98-T123 WeakPolarHBondContact CA-O 3.27Å; H98-T123 PolarHBondContact CE1-N 3.43Å; H98-T123 WeakPolarHBondContact ND1-CB 3.48Å; H98-T123 PolarHBondContact ND1-N 2.83Å; H98-L295 HydrophobicContact CB-CD2 3.9Å
99M98.9Very high97.5Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-130134.4176.8-50.3-179.5-175.900109.8I25 L97 V109 L112 V113 F118 V121 T123 V124 V125I25-M99 HydrophobicContact CD1-CB 4.16Å; I25-M99 HydrophobicContact CD1-CG 3.76Å; I25-M99 HydrophobicContact CD1-SD 4.19Å; I25-M99 HydrophobicContact CG1-CB 3.85Å; I25-M99 HydrophobicContact CG1-CG 3.76Å; L97-M99 HydrophobicContact CD1-CE 3.87Å; L97-M99 HydrophobicContact CD1-CG 4.17Å; L97-M99 HydrophobicContact CD2-CE 4.01Å; L97-M99 HydrophobicContact CG-CE 3.9Å; L97-M99 HydrophobicContact CG-CG 4.28Å; M99-V109 HydrophobicContact CB-CB 3.87Å; M99-V109 HydrophobicContact CB-CG1 3.97Å; M99-V109 HydrophobicContact SD-CB 4.25Å; M99-L112 HydrophobicContact SD-CB 4.26Å; M99-L112 HydrophobicContact SD-CD1 4.41Å; M99-V113 HydrophobicContact CE-CG2 4.28Å; M99-V113 HydrophobicContact SD-CG2 3.92Å; M99-F118 HydrophobicContact CE-CD2 3.67Å; M99-F118 HydrophobicContact CE-CE1 4.27Å; M99-F118 HydrophobicContact CE-CE2 3.26Å; M99-F118 HydrophobicContact CE-CG 4.3Å; M99-F118 HydrophobicContact CE-CZ 3.6Å; M99-V121 HydrophobicContact CE-CG1 4.18Å; M99-V121 HydrophobicContact CE-CG2 4.33Å; M99-T123 PolarHBondContact N-O 2.8Å; M99-V124 HydrophobicContact CB-CG1 4.48Å; M99-V124 CarbonylContact O-C 3.53Å; M99-V124 WeakPolarHBondContact O-CA 3.37Å; M99-V125 PolarHBondContact O-N 2.89Å
100I98.9Very high97.6Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-122.8120.2170.4-55178.6000107.3V24 I25 I26 W27 I46 I102 V125 I127 F286 I290 L295V24-I100 HydrophobicContact CG1-CD1 3.86Å; V24-I100 HydrophobicContact CG1-CG1 3.88Å; I25-I100 PolarHBondContact O-N 2.9Å; I26-I100 CarbonylContact C-O 3.55Å; I26-I100 VanDerWaalsContact CA-O 3.26Å; I26-I100 WeakPolarHBondContact CA-O 3.35Å; I26-I100 HydrophobicContact CG1-CB 4.46Å; W27-I100 PolarHBondContact N-O 3.12Å; I46-I100 HydrophobicContact CD1-CD1 3.66Å; I100-I102 HydrophobicContact CG2-CD1 3.8Å; I100-V125 CarbonylContact C-O 3.59Å; I100-V125 WeakPolarHBondContact CA-O 3.06Å; I100-V125 HydrophobicContact CB-CB 4.46Å; I100-V125 HydrophobicContact CG1-CB 4.17Å; I100-V125 HydrophobicContact CG1-CG2 4.24Å; I100-V125 HydrophobicContact CG2-CB 4.32Å; I100-I127 HydrophobicContact CG2-CD1 4.23Å; I100-F286 HydrophobicContact CD1-CE2 4.15Å; I100-F286 HydrophobicContact CD1-CZ 3.81Å; I100-I290 HydrophobicContact CD1-CG2 4.49Å; I100-L295 HydrophobicContact CD1-CD1 3.76Å; I100-L295 HydrophobicContact CG1-CD1 4.49Å
101G98.9Very high97.7Very high0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-109.7134.2172.400000110.4W27 G105 G106 V125 I127W27-G101 WeakPolarHBondContact O-CA 3.43Å; G101-G105 WeakPolarHBondContact CA-O 3.39Å; G101-G106 VanDerWaalsContact C-N 3.31Å; G101-V125 PolarHBondContact N-O 3.01Å; G101-I127 PolarHBondContact O-N 2.91Å
102I98.8Very high97.8Very high11 Ų1114.2 Ų14.26%0.0568%0.082CC..EExtended strand (participates in β ladder)trans-109.3127.5-179.5-52.4-58.9000108.8I26 W27 H28 G29 I39 L42 I100 Q104 G105 I127 L279I26-I102 HydrophobicContact CG2-CG1 4.29Å; W27-I102 PolarHBondContact O-N 2.9Å; H28-I102 CarbonylContact C-O 3.59Å; G29-I102 WeakPolarHBondContact CA-O 3.48Å; G29-I102 PolarHBondContact N-O 3.14Å; I39-I102 HydrophobicContact CD1-CG1 4.22Å; L42-I102 HydrophobicContact CD1-CD1 3.98Å; L42-I102 HydrophobicContact CD1-CG1 4.34Å; I100-I102 HydrophobicContact CG2-CD1 3.8Å; I102-Q104 PolarHBondContact O-N 3.39Å; I102-G105 WeakPolarHBondContact O-CA 3.33Å; I102-G105 PolarHBondContact O-N 3.19Å; I102-I127 HydrophobicContact CD1-CB 3.98Å; I102-I127 HydrophobicContact CD1-CD1 3.75Å; I102-I127 HydrophobicContact CD1-CG1 4.08Å; I102-L279 HydrophobicContact CG2-CD1 3.61Å; I102-L279 HydrophobicContact CG2-CD2 3.73Å; I102-L279 HydrophobicContact CG2-CG 4.32Å
103S98.1Very high97.9Very high18 Ų1810 Ų1013%0.1266%0.059CC..THydrogen-bonded Turntrans51.7-127.5-175.9-175.10000110.6G105 G106 I127 G128 G129 H278S103-G105 PolarHBondContact O-N 3.16Å; S103-G106 WeakPolarHBondContact O-CA 3.25Å; S103-G106 PolarHBondContact O-N 2.9Å; S103-I127 PolarHBondContact N-O 2.82Å; S103-G128 WeakPolarHBondContact CA-O 3.47Å; S103-G129 WeakPolarHBondContact O-CA 3.37Å; S103-H278 VanDerWaalsContact CB-NE2 3.27Å; S103-H278 WeakPolarHBondContact CB-NE2 3.46Å; S103-H278 PolarHBondContact OG-CE1 2.87Å; S103-H278 PolarHBondContact OG-NE2 2.97Å
104Q98.1Very high98Very high2 Ų29.8 Ų9.81%0.0096%0.058CC..Hα-helixtrans-43.9-39.4171172.7-170.268.100113.7M30 T71 I102 G106 L107 F108 Y174M30-Q104 VanDerWaalsContact N-OE1 3.14Å; T71-Q104 PolarHBondContact O-NE2 2.6Å; T71-Q104 VanDerWaalsContact O-NE2 3.16Å; I102-Q104 PolarHBondContact O-N 3.39Å; Q104-G106 PolarHBondContact O-N 2.75Å; Q104-G106 VanDerWaalsContact O-N 3.15Å; Q104-L107 WeakPolarHBondContact O-CB 3.25Å; Q104-L107 PolarHBondContact O-N 2.55Å; Q104-F108 VanDerWaalsContact CD-CZ 3.44Å; Q104-F108 HydrophobicContact CG-CD1 4.2Å; Q104-F108 HydrophobicContact CG-CD2 4.31Å; Q104-F108 HydrophobicContact CG-CE1 3.54Å; Q104-F108 HydrophobicContact CG-CE2 3.71Å; Q104-F108 HydrophobicContact CG-CZ 3.28Å; Q104-F108 WeakPolarHBondContact O-CD1 3.45Å; Q104-F108 PolarHBondContact O-N 2.79Å; Q104-Y174 HydrophobicContact CG-CE1 3.92Å; Q104-Y174 PolarHBondContact NE2-OH 3.48Å
105G98.8Very high98.3Very high0 Ų08.9 Ų8.90%05%0.047CC..Hα-helixtrans-59.4-26.4176.400000113.4H28 G101 I102 S103 L107 F108 V109H28-G105 VanDerWaalsContact O-CA 3.31Å; H28-G105 WeakPolarHBondContact O-CA 3.41Å; H28-G105 PolarHBondContact O-N 2.96Å; G101-G105 WeakPolarHBondContact CA-O 3.39Å; I102-G105 WeakPolarHBondContact O-CA 3.33Å; I102-G105 PolarHBondContact O-N 3.19Å; S103-G105 PolarHBondContact O-N 3.16Å; G105-L107 VanDerWaalsContact C-N 3.35Å; G105-F108 PolarHBondContact O-N 3.24Å; G105-F108 VanDerWaalsContact O-N 3.16Å; G105-V109 WeakPolarHBondContact O-CG2 3.43Å; G105-V109 PolarHBondContact O-N 3.15Å
106G98.9Very high98.5Very high0 Ų04.5 Ų4.50%02%0.023CC..Hα-helixtrans-63.7-36.2173.900000113.3G101 S103 Q104 V109 S126 Q131G101-G106 VanDerWaalsContact C-N 3.31Å; S103-G106 WeakPolarHBondContact O-CA 3.25Å; S103-G106 PolarHBondContact O-N 2.9Å; Q104-G106 PolarHBondContact O-N 2.75Å; Q104-G106 VanDerWaalsContact O-N 3.15Å; G106-V109 WeakPolarHBondContact O-CG2 3.23Å; G106-S126 VanDerWaalsContact CA-OG 3.3Å; G106-S126 WeakPolarHBondContact CA-OG 3.41Å; G106-Q131 PolarHBondContact O-NE2 3.35Å
107L98.9Very high98.5Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-71.6-39170.1-178.161.2000110.7Q104 G105 R110 A111 Y174 F190 L191 I194Q104-L107 WeakPolarHBondContact O-CB 3.25Å; Q104-L107 PolarHBondContact O-N 2.55Å; G105-L107 VanDerWaalsContact C-N 3.35Å; L107-R110 VanDerWaalsContact CD1-CZ 3.42Å; L107-R110 WeakPolarHBondContact O-CB 3.42Å; L107-R110 PolarHBondContact O-N 2.82Å; L107-A111 PolarHBondContact O-N 3.46Å; L107-Y174 HydrophobicContact CD2-CD1 4.05Å; L107-Y174 HydrophobicContact CD2-CG 4.02Å; L107-F190 HydrophobicContact CD2-CE1 3.83Å; L107-F190 HydrophobicContact CG-CE1 4.03Å; L107-L191 HydrophobicContact CD1-CD1 4.27Å; L107-L191 HydrophobicContact CD2-CD1 4.28Å; L107-I194 HydrophobicContact CD1-CD1 3.69Å; L107-I194 HydrophobicContact CG-CD1 4.16Å
108F98.9Very high98.5Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-68.7-41.8-176.2-65.5-0.4000112.5W27 I76 Q104 G105 R110 A111 L112 V170 Y174W27-F108 HydrophobicContact CD2-CB 3.98Å; W27-F108 HydrophobicContact CD2-CD2 4.17Å; W27-F108 AromaticContact CE2-CD2 3.7Å; W27-F108 HydrophobicContact CE3-CB 3.73Å; W27-F108 HydrophobicContact CH2-CB 4.19Å; W27-F108 HydrophobicContact CH2-CD2 4.24Å; W27-F108 HydrophobicContact CZ2-CB 4.41Å; W27-F108 AromaticContact CZ2-CD2 3.75Å; W27-F108 HydrophobicContact CZ2-CD2 3.75Å; W27-F108 HydrophobicContact CZ2-CE2 4.48Å; W27-F108 HydrophobicContact CZ3-CB 3.83Å; W27-F108 AromaticContact NE1-CD2 3.95Å; I76-F108 HydrophobicContact CB-CE1 4.37Å; I76-F108 HydrophobicContact CD1-CE1 3.81Å; I76-F108 HydrophobicContact CD1-CZ 4.25Å; I76-F108 HydrophobicContact CG1-CE1 3.86Å; I76-F108 HydrophobicContact CG1-CZ 3.89Å; I76-F108 HydrophobicContact CG2-CD1 3.84Å; I76-F108 HydrophobicContact CG2-CE1 3.55Å; I76-F108 HydrophobicContact CG2-CZ 3.98Å; Q104-F108 VanDerWaalsContact CD-CZ 3.44Å; Q104-F108 HydrophobicContact CG-CD1 4.2Å; Q104-F108 HydrophobicContact CG-CD2 4.31Å; Q104-F108 HydrophobicContact CG-CE1 3.54Å; Q104-F108 HydrophobicContact CG-CE2 3.71Å; Q104-F108 HydrophobicContact CG-CZ 3.28Å; Q104-F108 WeakPolarHBondContact O-CD1 3.45Å; Q104-F108 PolarHBondContact O-N 2.79Å; G105-F108 PolarHBondContact O-N 3.24Å; G105-F108 VanDerWaalsContact O-N 3.16Å; F108-R110 VanDerWaalsContact C-N 3.29Å; F108-R110 PolarHBondContact O-N 3.31Å; F108-A111 CarbonylContact O-C 3.5Å; F108-A111 WeakPolarHBondContact O-CA 3.32Å; F108-A111 WeakPolarHBondContact O-CB 3.39Å; F108-A111 PolarHBondContact O-N 2.85Å; F108-A111 VanDerWaalsContact O-N 3.08Å; F108-L112 PolarHBondContact O-N 2.81Å; F108-V170 HydrophobicContact CZ-CG1 3.85Å; F108-Y174 HydrophobicContact CE1-CE1 4.49Å
109V98.9Very high98.3Very high0 Ų015.1 Ų15.10%09%0.086CC..Hα-helixtrans-64.3-34.7175.6-640000112.1W27 M99 G105 G106 L112 V113 V124W27-V109 HydrophobicContact CB-CG1 3.97Å; W27-V109 HydrophobicContact CE3-CG1 4.43Å; M99-V109 HydrophobicContact CB-CB 3.87Å; M99-V109 HydrophobicContact CB-CG1 3.97Å; M99-V109 HydrophobicContact SD-CB 4.25Å; G105-V109 WeakPolarHBondContact O-CG2 3.43Å; G105-V109 PolarHBondContact O-N 3.15Å; G106-V109 WeakPolarHBondContact O-CG2 3.23Å; V109-L112 WeakPolarHBondContact O-CB 3.37Å; V109-L112 PolarHBondContact O-N 2.93Å; V109-V113 WeakPolarHBondContact O-CG2 3.41Å; V109-V113 PolarHBondContact O-N 2.93Å; V109-V124 HydrophobicContact CB-CG1 4.41Å; V109-V124 HydrophobicContact CG2-CG1 3.9Å
110R98.8Very high98.2Very high1 Ų120.2 Ų20.20%0.00411%0.107CC..Hα-helixtrans-62.8-44.8170.4-174.3-165.173.2-166.818.8110.8L107 F108 L112 V113 Q114 Q131 I194 N195 M208L107-R110 VanDerWaalsContact CD1-CZ 3.42Å; L107-R110 WeakPolarHBondContact O-CB 3.42Å; L107-R110 PolarHBondContact O-N 2.82Å; F108-R110 VanDerWaalsContact C-N 3.29Å; F108-R110 PolarHBondContact O-N 3.31Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.85Å; R110-V113 WeakPolarHBondContact O-CB 3.36Å; R110-V113 PolarHBondContact O-N 2.9Å; R110-Q114 PolarHBondContact O-N 2.88Å; R110-Q131 PolarHBondContact NH1-O 3.46Å; R110-I194 VanDerWaalsContact NH2-CG1 3.33Å; R110-N195 PolarHBondContact NH2-OD1 2.82Å; R110-M208 HydrophobicContact CG-CE 3.99Å; R110-M208 HydrophobicContact CG-SD 3.95Å
111A98.9Very high98.1Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-64.2-35.6177.800000112.5L80 L107 F108 V113 Q114 K115 F190 I194L80-A111 HydrophobicContact CD1-CB 3.63Å; L80-A111 HydrophobicContact CD2-CB 3.98Å; L80-A111 HydrophobicContact CG-CB 4.49Å; L107-A111 PolarHBondContact O-N 3.46Å; F108-A111 CarbonylContact O-C 3.5Å; F108-A111 WeakPolarHBondContact O-CA 3.32Å; F108-A111 WeakPolarHBondContact O-CB 3.39Å; F108-A111 PolarHBondContact O-N 2.85Å; F108-A111 VanDerWaalsContact O-N 3.08Å; A111-V113 VanDerWaalsContact C-N 3.33Å; A111-V113 PolarHBondContact O-N 2.83Å; A111-Q114 PolarHBondContact O-N 2.81Å; A111-K115 WeakPolarHBondContact O-CB 3.24Å; A111-K115 WeakPolarHBondContact O-CG 3.1Å; A111-K115 PolarHBondContact O-N 2.87Å; A111-F190 HydrophobicContact CB-CE2 3.91Å; A111-F190 HydrophobicContact CB-CZ 3.63Å; A111-I194 HydrophobicContact CB-CD1 4.15Å; A111-I194 HydrophobicContact CB-CG2 4.32Å
112L98.7Very high98.1Very high0 Ų021 Ų210%011%0.112CC..Hα-helixtrans-57.2-46.7171.4-74176.6000111.1I25 W27 L80 V83 I87 M99 F108 V109 R110 Q114 K115 C116 F118I25-L112 HydrophobicContact CD1-CD1 3.77Å; W27-L112 HydrophobicContact CE3-CD1 3.63Å; W27-L112 HydrophobicContact CE3-CG 4.16Å; W27-L112 HydrophobicContact CH2-CD2 4.49Å; W27-L112 HydrophobicContact CZ3-CD1 3.5Å; W27-L112 HydrophobicContact CZ3-CD2 3.77Å; W27-L112 HydrophobicContact CZ3-CG 3.58Å; L80-L112 HydrophobicContact CD2-CB 4.49Å; L80-L112 HydrophobicContact CD2-CD2 3.56Å; L80-L112 HydrophobicContact CD2-CG 3.72Å; V83-L112 HydrophobicContact CB-CD2 4.32Å; V83-L112 HydrophobicContact CG1-CD1 4.04Å; V83-L112 HydrophobicContact CG1-CD2 4.01Å; I87-L112 HydrophobicContact CD1-CD1 4.1Å; M99-L112 HydrophobicContact SD-CB 4.26Å; M99-L112 HydrophobicContact SD-CD1 4.41Å; F108-L112 PolarHBondContact O-N 2.81Å; V109-L112 WeakPolarHBondContact O-CB 3.37Å; V109-L112 PolarHBondContact O-N 2.93Å; R110-L112 VanDerWaalsContact C-N 3.32Å; R110-L112 PolarHBondContact O-N 2.85Å; L112-Q114 PolarHBondContact O-N 2.88Å; L112-K115 PolarHBondContact O-N 3.01Å; L112-C116 WeakPolarHBondContact CD2-SG 3.3Å; L112-C116 WeakPolarHBondContact O-CB 3.4Å; L112-C116 PolarHBondContact O-N 2.68Å; L112-F118 HydrophobicContact CB-CE2 4.18Å; L112-F118 HydrophobicContact CB-CZ 4.2Å; L112-F118 WeakPolarHBondContact O-CE2 3.4Å
113V98.8Very high98.1Very high3 Ų320.4 Ų20.42%0.01811%0.109CC..Hα-helixtrans-55.6-44.7178175.20000110.6M99 V109 R110 A111 V121 V124 K207 M208 I211M99-V113 HydrophobicContact CE-CG2 4.28Å; M99-V113 HydrophobicContact SD-CG2 3.92Å; V109-V113 WeakPolarHBondContact O-CG2 3.41Å; V109-V113 PolarHBondContact O-N 2.93Å; R110-V113 WeakPolarHBondContact O-CB 3.36Å; R110-V113 PolarHBondContact O-N 2.9Å; A111-V113 VanDerWaalsContact C-N 3.33Å; A111-V113 PolarHBondContact O-N 2.83Å; V113-V121 HydrophobicContact CG2-CG1 4.04Å; V113-V124 HydrophobicContact CG2-CG1 4.46Å; V113-V124 HydrophobicContact CG2-CG2 3.7Å; V113-K207 HydrophobicContact CG1-CB 4.47Å; V113-K207 WeakPolarHBondContact O-CB 3.21Å; V113-K207 WeakPolarHBondContact O-CD 3.22Å; V113-M208 HydrophobicContact CB-SD 3.97Å; V113-M208 HydrophobicContact CG1-CG 4.37Å; V113-M208 HydrophobicContact CG1-SD 3.58Å; V113-M208 VanDerWaalsContact CG1-SD 3.58Å; V113-I211 HydrophobicContact CB-CG2 4.49Å; V113-I211 HydrophobicContact CG1-CG2 3.4Å; V113-I211 HydrophobicContact CG2-CG2 4.24Å
114Q98.7Very high98.1Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-71.2-42.9-178.8-70.9173.8-152.900112.2R110 A111 L112 I194 Y204 K207 M208R110-Q114 PolarHBondContact O-N 2.88Å; A111-Q114 PolarHBondContact O-N 2.81Å; L112-Q114 PolarHBondContact O-N 2.88Å; Q114-I194 PolarHBondContact NE2-O 2.93Å; Q114-I194 PolarHBondContact OE1-O 3.34Å; Q114-Y204 HydrophobicContact CB-CD1 4.28Å; Q114-Y204 HydrophobicContact CB-CD2 4.23Å; Q114-Y204 HydrophobicContact CB-CG 3.95Å; Q114-Y204 WeakPolarHBondContact O-CD1 3.46Å; Q114-Y204 WeakPolarHBondContact O-CE1 3.3Å; Q114-K207 WeakPolarHBondContact O-CD 3.08Å; Q114-K207 PolarHBondContact O-NZ 3.34Å; Q114-K207 VanDerWaalsContact O-NZ 3.17Å; Q114-M208 HydrophobicContact CG-CG 3.58Å; Q114-M208 HydrophobicContact CG-SD 3.95Å
115K98.1Very high98.2Very high42 Ų4219.6 Ų19.618%0.18310%0.104CC..Hα-helixtrans-94.7-41-167.7-62.1-157.7174-150.50114.1N77 L80 A111 L112 D193 Y204 K207N77-K115 PolarHBondContact OD1-NZ 3.36Å; L80-K115 HydrophobicContact CD1-CD 4.13Å; A111-K115 WeakPolarHBondContact O-CB 3.24Å; A111-K115 WeakPolarHBondContact O-CG 3.1Å; A111-K115 PolarHBondContact O-N 2.87Å; L112-K115 PolarHBondContact O-N 3.01Å; K115-D193 VanDerWaalsContact CE-OD2 3.28Å; K115-D193 WeakPolarHBondContact CE-OD2 3.26Å; K115-D193 IonicContact NZ-OD2 2.87Å; K115-D193 PolarHBondContact NZ-OD2 3.45Å; K115-Y204 WeakPolarHBondContact CE-OH 3.19Å; K115-Y204 HydrophobicContact CG-CE1 4.3Å; K115-Y204 HydrophobicContact CG-CE2 4.45Å; K115-K207 PolarHBondContact O-NZ 3Å
116C98Very high98.2Very high5 Ų519.7 Ų19.73%0.03410%0.104CC..SBendtrans-81.8163.4178.3-43.20000111.9C84 L112 F118 K207C84-C116 HydrophobicContact CB-CB 3.93Å; C84-C116 WeakPolarHBondContact CB-SG 3.3Å; C84-C116 WeakPolarHBondContact SG-CB 3.07Å; C84-C116 CovalentContact SG-SG 2.02Å; C84-C116 PolarHBondContact SG-SG 3.44Å; L112-C116 WeakPolarHBondContact CD2-SG 3.3Å; L112-C116 WeakPolarHBondContact O-CB 3.4Å; L112-C116 PolarHBondContact O-N 2.68Å; C116-F118 HydrophobicContact CB-CD2 4.29Å; C116-F118 HydrophobicContact CB-CE1 3.97Å; C116-F118 HydrophobicContact CB-CE2 3.55Å; C116-F118 HydrophobicContact CB-CZ 3.37Å; C116-K207 WeakPolarHBondContact O-CE 3.41Å; C116-K207 PolarHBondContact O-NZ 3.05Å
117N96.5Very high98.2Very high108 Ų10819.7 Ų19.758%0.57810%0.104SC*.  trans-103.4117.8173.2-67.1-36.3000109.2H88 K207H88-N117 PolarHBondContact CE1-O 2.77Å; H88-N117 PolarHBondContact NE2-O 2.99Å; N117-K207 WeakPolarHBondContact OD1-CE 3.11Å; N117-K207 PolarHBondContact OD1-NZ 3.46Å
118F96.9Very high98.2Very high41 Ų4119.7 Ų19.718%0.1810%0.104CC..  trans-115.3145.5174.9-56.9-66.7000109.9I87 L97 M99 L112 C116 K120 V121I87-F118 HydrophobicContact CB-CE1 4.35Å; I87-F118 HydrophobicContact CD1-CE1 4.2Å; I87-F118 HydrophobicContact CD1-CZ 4.29Å; I87-F118 HydrophobicContact CG2-CD1 4.24Å; I87-F118 HydrophobicContact CG2-CE1 3.67Å; L97-F118 HydrophobicContact CD2-CB 4.21Å; L97-F118 HydrophobicContact CD2-CD1 3.67Å; L97-F118 HydrophobicContact CD2-CE1 4.19Å; L97-F118 HydrophobicContact CD2-CG 3.93Å; M99-F118 HydrophobicContact CE-CD2 3.67Å; M99-F118 HydrophobicContact CE-CE1 4.27Å; M99-F118 HydrophobicContact CE-CE2 3.26Å; M99-F118 HydrophobicContact CE-CG 4.3Å; M99-F118 HydrophobicContact CE-CZ 3.6Å; L112-F118 HydrophobicContact CB-CE2 4.18Å; L112-F118 HydrophobicContact CB-CZ 4.2Å; L112-F118 WeakPolarHBondContact O-CE2 3.4Å; C116-F118 HydrophobicContact CB-CD2 4.29Å; C116-F118 HydrophobicContact CB-CE1 3.97Å; C116-F118 HydrophobicContact CB-CE2 3.55Å; C116-F118 HydrophobicContact CB-CZ 3.37Å; F118-K120 VanDerWaalsContact C-N 3.29Å; F118-V121 HydrophobicContact CB-CG2 3.67Å; F118-V121 HydrophobicContact CD2-CG2 3.63Å; F118-V121 HydrophobicContact CG-CG2 4Å
119S94Very high98.2Very high87 Ų8719.7 Ų19.761%0.60810%0.104SC*.SBendtrans-64.1-38.1174.453.40000111.5S94 G96S94-S119 PolarHBondContact O-OG 2.86Å; G96-S119 PolarHBondContact N-OG 2.94Å
120K97Very high98.1Very high106 Ų10619.9 Ų19.946%0.46111%0.105SC..  trans-153.6132.2174.3177.3178.3178.5-171.70110.2L22 G96 L97 F118L22-K120 HydrophobicContact CD1-CD 4.33Å; L22-K120 HydrophobicContact CD2-CD 4.39Å; G96-K120 CarbonylContact C-O 3.55Å; G96-K120 WeakPolarHBondContact CA-O 3.43Å; L97-K120 PolarHBondContact N-O 2.83Å; F118-K120 VanDerWaalsContact C-N 3.29Å
121V98.3Very high98.1Very high16 Ų1619.8 Ų19.810%0.09711%0.105CC..EExtended strand (participates in β ladder)trans-108.2119169.5-1760000108.3M99 V113 F118 V124 I211 Q212M99-V121 HydrophobicContact CE-CG1 4.18Å; M99-V121 HydrophobicContact CE-CG2 4.33Å; V113-V121 HydrophobicContact CG2-CG1 4.04Å; F118-V121 HydrophobicContact CB-CG2 3.67Å; F118-V121 HydrophobicContact CD2-CG2 3.63Å; F118-V121 HydrophobicContact CG-CG2 4Å; V121-V124 HydrophobicContact CG1-CG2 3.53Å; V121-I211 HydrophobicContact CB-CB 4.29Å; V121-I211 HydrophobicContact CB-CG2 3.87Å; V121-I211 HydrophobicContact CG1-CB 4.06Å; V121-I211 HydrophobicContact CG1-CG2 3.63Å; V121-Q212 PolarHBondContact O-N 2.71Å
122G98.1Very high98.1Very high0 Ų020.5 Ų20.50%011%0.108CC..EExtended strand (participates in β ladder)trans-77.4-143.7173.500000111.6L97 V124 Q212L97-G122 PolarHBondContact O-N 3.42Å; G122-V124 PolarHBondContact O-N 3.45Å; G122-Q212 PolarHBondContact O-N 3.43Å
123T98.7Very high98.1Very high0 Ų020.5 Ų20.50%011%0.108CC..EExtended strand (participates in β ladder)trans-56.1126.9166.4-51.40000112.2H98 M99 V125 R213 V215 F294 L295H98-T123 WeakPolarHBondContact CA-O 3.27Å; H98-T123 PolarHBondContact CE1-N 3.43Å; H98-T123 WeakPolarHBondContact ND1-CB 3.48Å; H98-T123 PolarHBondContact ND1-N 2.83Å; M99-T123 PolarHBondContact N-O 2.8Å; T123-V125 HydrophobicContact CG2-CG2 3.53Å; T123-R213 WeakPolarHBondContact CA-O 3.49Å; T123-R213 HydrophobicContact CG2-CG 3.65Å; T123-R213 VanDerWaalsContact OG1-CD 3.29Å; T123-R213 WeakPolarHBondContact OG1-CD 3.43Å; T123-R213 VanDerWaalsContact OG1-CG 3.27Å; T123-R213 WeakPolarHBondContact OG1-CG 3.44Å; T123-V215 HydrophobicContact CG2-CG2 3.93Å; T123-F294 HydrophobicContact CG2-CB 3.74Å; T123-F294 PolarHBondContact OG1-O 3.33Å; T123-L295 HydrophobicContact CG2-CD2 3.92Å
124V98.9Very high98Very high3 Ų320.6 Ų20.62%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-107.5120.7166.6-177.70000107.3M99 V109 V113 V121 G122 I211 R213 L214 V215M99-V124 HydrophobicContact CB-CG1 4.48Å; M99-V124 CarbonylContact O-C 3.53Å; M99-V124 WeakPolarHBondContact O-CA 3.37Å; V109-V124 HydrophobicContact CB-CG1 4.41Å; V109-V124 HydrophobicContact CG2-CG1 3.9Å; V113-V124 HydrophobicContact CG2-CG1 4.46Å; V113-V124 HydrophobicContact CG2-CG2 3.7Å; V121-V124 HydrophobicContact CG1-CG2 3.53Å; G122-V124 PolarHBondContact O-N 3.45Å; V124-I211 HydrophobicContact CG2-CB 4.44Å; V124-I211 HydrophobicContact CG2-CD1 4.36Å; V124-I211 HydrophobicContact CG2-CG2 4.26Å; V124-R213 PolarHBondContact N-O 2.86Å; V124-L214 HydrophobicContact CB-CD1 4.05Å; V124-L214 HydrophobicContact CG1-CD1 3.98Å; V124-L214 CarbonylContact O-C 3.13Å; V124-L214 WeakPolarHBondContact O-CA 3.3Å; V124-V215 PolarHBondContact O-N 3.17Å
125V99Very high97.8Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-113.1125.2-179.1-172.70000108.5M99 I100 G101 T123 I127 V215 I290M99-V125 PolarHBondContact O-N 2.89Å; I100-V125 CarbonylContact C-O 3.59Å; I100-V125 WeakPolarHBondContact CA-O 3.06Å; I100-V125 HydrophobicContact CB-CB 4.46Å; I100-V125 HydrophobicContact CG1-CB 4.17Å; I100-V125 HydrophobicContact CG1-CG2 4.24Å; I100-V125 HydrophobicContact CG2-CB 4.32Å; G101-V125 PolarHBondContact N-O 3.01Å; T123-V125 HydrophobicContact CG2-CG2 3.53Å; V125-I127 HydrophobicContact CG1-CD1 4.28Å; V125-I127 HydrophobicContact CG1-CG1 3.77Å; V125-V215 CarbonylContact C-O 3.53Å; V125-V215 WeakPolarHBondContact CA-O 3.05Å; V125-V215 HydrophobicContact CB-CB 4.47Å; V125-V215 HydrophobicContact CG1-CB 4.24Å; V125-V215 HydrophobicContact CG1-CG1 4.32Å; V125-V215 HydrophobicContact CG2-CB 4.22Å; V125-V215 HydrophobicContact CG2-CG2 4.48Å; V125-I290 HydrophobicContact CB-CG2 4.42Å; V125-I290 HydrophobicContact CG1-CD1 4.02Å; V125-I290 HydrophobicContact CG1-CG2 3.88Å; V125-I290 HydrophobicContact CG2-CG2 3.94Å
126S98.9Very high97.2Very high1 Ų121.2 Ų21.21%0.00712%0.115CC..EExtended strand (participates in β ladder)trans-110.9114169.8-179.80000108.6G106 G129 Q131 V215 V217G106-S126 VanDerWaalsContact CA-OG 3.3Å; G106-S126 WeakPolarHBondContact CA-OG 3.41Å; S126-G129 WeakPolarHBondContact OG-CA 3.46Å; S126-G129 PolarHBondContact OG-N 3.05Å; S126-Q131 PolarHBondContact OG-NE2 2.83Å; S126-V215 PolarHBondContact N-O 3.17Å; S126-V217 PolarHBondContact O-N 2.97Å
127I98.9Very high96.3Very high0 Ų024.2 Ų24.20%013%0.13CC..EExtended strand (participates in β ladder)trans-101.9101.1178-52.4-173000109.1I100 G101 I102 S103 V125 G129 V217 F219 L279 F281 F286 I290I100-I127 HydrophobicContact CG2-CD1 4.23Å; G101-I127 PolarHBondContact O-N 2.91Å; I102-I127 HydrophobicContact CD1-CB 3.98Å; I102-I127 HydrophobicContact CD1-CD1 3.75Å; I102-I127 HydrophobicContact CD1-CG1 4.08Å; S103-I127 PolarHBondContact N-O 2.82Å; V125-I127 HydrophobicContact CG1-CD1 4.28Å; V125-I127 HydrophobicContact CG1-CG1 3.77Å; I127-G129 VanDerWaalsContact C-N 3.31Å; I127-G129 PolarHBondContact O-N 2.84Å; I127-V217 HydrophobicContact CB-CB 4.48Å; I127-V217 HydrophobicContact CB-CG2 4.46Å; I127-V217 HydrophobicContact CG1-CG2 4.03Å; I127-V217 HydrophobicContact CG2-CB 4.21Å; I127-V217 HydrophobicContact CG2-CG1 4.4Å; I127-V217 HydrophobicContact CG2-CG2 4.42Å; I127-F219 HydrophobicContact CG2-CE2 3.94Å; I127-F219 HydrophobicContact CG2-CZ 3.86Å; I127-L279 HydrophobicContact CG2-CD2 4.06Å; I127-L279 WeakPolarHBondContact O-CD2 3.41Å; I127-F281 HydrophobicContact CD1-CZ 4.46Å; I127-F281 HydrophobicContact CG2-CD1 4.34Å; I127-F281 HydrophobicContact CG2-CE1 3.7Å; I127-F281 HydrophobicContact CG2-CZ 4.19Å; I127-F286 HydrophobicContact CD1-CD2 3.95Å; I127-F286 HydrophobicContact CD1-CE2 3.93Å; I127-I290 HydrophobicContact CD1-CG1 4.22Å
128G98.6Very high95.2Very high0 Ų019.4 Ų19.40%011%0.105CC..SBendtrans65.629.1-177.400000114.1S103 V217 E231 H278S103-G128 WeakPolarHBondContact CA-O 3.47Å; G128-V217 PolarHBondContact N-O 2.97Å; G128-E231 WeakPolarHBondContact CA-OE1 3.38Å; G128-H278 PolarHBondContact O-CE1 3.27Å; G128-H278 VanDerWaalsContact O-CE1 3.26Å
129G98.7Very high94.3Very high0 Ų023.3 Ų23.30%012%0.122CC..  trans-86.7130.5-176.400000113S103 S126 I127 Q131 E231S103-G129 WeakPolarHBondContact O-CA 3.37Å; S126-G129 WeakPolarHBondContact OG-CA 3.46Å; S126-G129 PolarHBondContact OG-N 3.05Å; I127-G129 VanDerWaalsContact C-N 3.31Å; I127-G129 PolarHBondContact O-N 2.84Å; G129-Q131 WeakPolarHBondContact O-CG 3.37Å; G129-Q131 PolarHBondContact O-N 3.26Å; G129-Q131 PolarHBondContact O-NE2 3.06Å; G129-E231 WeakPolarHBondContact O-CA 3.35Å
130P98.5Very high93.6Very high4 Ų420.9 Ų20.93%0.02610%0.104CC..  trans-73.980.1-173.831.7-36.9000112Q132 G133 I134 Y174 V225 S230P130-Q132 VanDerWaalsContact C-N 3.25Å; P130-Q132 PolarHBondContact O-N 3.46Å; P130-G133 PolarHBondContact O-N 2.79Å; P130-I134 HydrophobicContact CB-CG2 3.89Å; P130-Y174 HydrophobicContact CG-CD2 4.46Å; P130-Y174 HydrophobicContact CG-CE2 4.49Å; P130-V225 HydrophobicContact CB-CG1 3.91Å; P130-V225 HydrophobicContact CB-CG2 4.33Å; P130-S230 VanDerWaalsContact C-OG 3.26Å; P130-S230 WeakPolarHBondContact CA-OG 3.48Å
131Q98.9Very high92.5Very high0 Ų021.4 Ų21.40%011%0.111CC..THydrogen-bonded Turntrans-64.5-30.2-171.8-56.6-52-53.200113.3G106 R110 S126 G129 N195 L216 S230 F233G106-Q131 PolarHBondContact O-NE2 3.35Å; R110-Q131 PolarHBondContact NH1-O 3.46Å; S126-Q131 PolarHBondContact OG-NE2 2.83Å; G129-Q131 WeakPolarHBondContact O-CG 3.37Å; G129-Q131 PolarHBondContact O-N 3.26Å; G129-Q131 PolarHBondContact O-NE2 3.06Å; Q131-N195 PolarHBondContact O-OD1 2.82Å; Q131-L216 HydrophobicContact CG-CD2 4.21Å; Q131-S230 WeakPolarHBondContact CA-O 2.96Å; Q131-S230 WeakPolarHBondContact CB-O 3.5Å; Q131-S230 PolarHBondContact N-O 3.14Å; Q131-S230 PolarHBondContact N-OG 3.5Å; Q131-F233 HydrophobicContact CB-CD1 3.63Å; Q131-F233 HydrophobicContact CB-CD2 3.81Å; Q131-F233 HydrophobicContact CB-CE1 3.73Å; Q131-F233 HydrophobicContact CB-CE2 3.87Å; Q131-F233 HydrophobicContact CB-CG 3.67Å; Q131-F233 HydrophobicContact CB-CZ 3.85Å; Q131-F233 HydrophobicContact CG-CD2 3.91Å; Q131-F233 HydrophobicContact CG-CE1 4.42Å; Q131-F233 HydrophobicContact CG-CE2 3.74Å; Q131-F233 HydrophobicContact CG-CG 4.3Å; Q131-F233 HydrophobicContact CG-CZ 4.02Å
132Q98.5Very high91.1Very high14 Ų1426.9 Ų26.97%0.06514%0.14CC..THydrogen-bonded Turntrans-104.516.9173.7-80.5-71.2-3300112.1P130 H176 N195 S230 F233 F235P130-Q132 VanDerWaalsContact C-N 3.25Å; P130-Q132 PolarHBondContact O-N 3.46Å; Q132-H176 WeakPolarHBondContact O-CB 3.45Å; Q132-H176 PolarHBondContact O-ND1 2.79Å; Q132-H176 PolarHBondContact OE1-CE1 2.95Å; Q132-H176 VanDerWaalsContact OE1-CE1 3.3Å; Q132-N195 PolarHBondContact NE2-ND2 2.87Å; Q132-S230 WeakPolarHBondContact CA-OG 3.24Å; Q132-S230 PolarHBondContact N-OG 2.99Å; Q132-F233 HydrophobicContact CG-CB 4.36Å; Q132-F233 WeakPolarHBondContact CG-O 3.32Å; Q132-F235 HydrophobicContact CB-CB 3.83Å; Q132-F235 HydrophobicContact CB-CD2 3.48Å; Q132-F235 VanDerWaalsContact CB-CD2 3.48Å; Q132-F235 HydrophobicContact CB-CE2 4.3Å; Q132-F235 HydrophobicContact CB-CG 3.87Å; Q132-F235 HydrophobicContact CG-CB 4.15Å; Q132-F235 WeakPolarHBondContact O-CD2 3.25Å; Q132-F235 WeakPolarHBondContact O-CE2 3.15Å
133G98.1Very high89.7Confident0 Ų030.7 Ų30.70%016%0.16CC..  trans78.3-162.7-178.800000114.1P130 Y174 L191 S230P130-G133 PolarHBondContact O-N 2.79Å; G133-Y174 CarbonylContact C-O 3.52Å; G133-Y174 WeakPolarHBondContact CA-O 3.07Å; G133-L191 VanDerWaalsContact CA-CD2 3.49Å; G133-S230 PolarHBondContact N-OG 3.45Å; G133-S230 VanDerWaalsContact O-CB 3.3Å; G133-S230 WeakPolarHBondContact O-CB 3.5Å; G133-S230 PolarHBondContact O-OG 2.85Å
134I96.8Very high88.6Confident5 Ų533.4 Ų33.43%0.02619%0.189CC..BIsolated β-bridgetrans-132.5152.2178.564.6174000111.1P130 P138 Y174 W175 H176 V225 I226P130-I134 HydrophobicContact CB-CG2 3.89Å; I134-P138 HydrophobicContact CD1-CG 3.86Å; I134-Y174 HydrophobicContact CD1-CD2 4.28Å; I134-Y174 HydrophobicContact CD1-CE2 3.91Å; I134-Y174 HydrophobicContact CG1-CD2 4.03Å; I134-Y174 HydrophobicContact CG1-CE2 4.16Å; I134-Y174 PolarHBondContact N-O 3.37Å; I134-W175 HydrophobicContact CD1-CE3 4.38Å; I134-W175 HydrophobicContact CG1-CE3 4.02Å; I134-W175 HydrophobicContact CG1-CZ3 4.41Å; I134-W175 WeakPolarHBondContact O-CA 3.39Å; I134-H176 PolarHBondContact O-N 3.42Å; I134-V225 HydrophobicContact CG2-CG1 4.41Å; I134-I226 CarbonylContact C-O 3.58Å; I134-I226 WeakPolarHBondContact CA-O 3.4Å
135F93.7Very high87.7Confident42 Ų4235.9 Ų35.918%0.18420%0.199CC..  trans-126.3-6.7172.1-174-127.5000113.5W175 H176 D177 P178 L179 I226 F235 Y236F135-W175 VanDerWaalsContact C-CH2 3.4Å; F135-W175 AromaticContact CD2-CE2 3.97Å; F135-W175 HydrophobicContact CD2-CH2 4.43Å; F135-W175 AromaticContact CD2-CZ2 3.64Å; F135-W175 HydrophobicContact CD2-CZ2 3.64Å; F135-W175 HydrophobicContact CE2-CZ2 4.01Å; F135-W175 WeakPolarHBondContact O-CH2 3.42Å; F135-W175 WeakPolarHBondContact O-CZ2 3.35Å; F135-H176 WeakPolarHBondContact CB-O 3.01Å; F135-D177 HydrophobicContact CD2-CB 4.21Å; F135-D177 HydrophobicContact CE2-CB 3.98Å; F135-D177 WeakPolarHBondContact CE2-OD1 3.31Å; F135-P178 HydrophobicContact CD1-CG 3.72Å; F135-P178 HydrophobicContact CD2-CG 4.46Å; F135-P178 HydrophobicContact CE1-CG 3.88Å; F135-P178 HydrophobicContact CG-CG 4.03Å; F135-P178 HydrophobicContact CZ-CG 4.32Å; F135-L179 HydrophobicContact CE1-CD1 4.45Å; F135-L179 HydrophobicContact CE1-CG 4.45Å; F135-L179 HydrophobicContact CZ-CD1 3.96Å; F135-L179 HydrophobicContact CZ-CG 4.07Å; F135-I226 PolarHBondContact N-O 2.83Å; F135-F235 HydrophobicContact CB-CZ 4.12Å; F135-Y236 HydrophobicContact CB-CD2 4.24Å; F135-Y236 HydrophobicContact CB-CE2 4.12Å; F135-Y236 HydrophobicContact CD1-CD2 4.08Å; F135-Y236 AromaticContact CD1-CE2 3.95Å; F135-Y236 HydrophobicContact CD1-CE2 3.95Å
136G86.6Confident87Confident13 Ų1338 Ų3813%0.13421%0.21CC..SBendtrans-102.3141.9171.600000110.7P138G136-P138 VanDerWaalsContact O-CD 3.32Å; G136-P138 WeakPolarHBondContact O-CD 3.48Å
137I79.3Confident86.4Confident69 Ų6945 Ų4535%0.35424%0.242SC..PPolyproline II helixtrans-67.3121.2170.3-62.8177.4000108.2N153 S157 W175I137-N153 HydrophobicContact CG2-CB 3.79Å; I137-N153 WeakPolarHBondContact CG2-ND2 3.44Å; I137-N153 WeakPolarHBondContact CG2-OD1 3.46Å; I137-S157 WeakPolarHBondContact CD1-OG 3.44Å; I137-W175 HydrophobicContact CG1-CH2 4.31Å; I137-W175 HydrophobicContact CG1-CZ3 4.46Å
138P72.3Confident85.7Confident7 Ų746.4 Ų46.45%0.04525%0.249CC..PPolyproline II helixtrans-60.9150-179.9-23.434.4000112.4I134 G136 M152 N153 I224I134-P138 HydrophobicContact CD1-CG 3.86Å; G136-P138 VanDerWaalsContact O-CD 3.32Å; G136-P138 WeakPolarHBondContact O-CD 3.48Å; P138-M152 HydrophobicContact CG-CE 4.47Å; P138-N153 PolarHBondContact O-ND2 3.48Å; P138-I224 HydrophobicContact CB-CG2 4.43Å
139K78.3Confident85.2Confident122 Ų12246.6 Ų46.653%0.5325%0.251SS..PPolyproline II helixtrans-67.3133.9169.2-65.2175.3-174.4164.60109.5T223 I224K139-T223 VanDerWaalsContact NZ-CB 3.28Å; K139-T223 PolarHBondContact NZ-OG1 3.42Å; K139-I224 HydrophobicContact CB-CD1 4.09Å
140C80.5Confident84.7Confident36 Ų3651 Ų5124%0.24327%0.274CS..PPolyproline II helixtrans-81.1123.2169.7-64.90000110.9I146 C149 L150 N153C140-I146 HydrophobicContact CB-CG1 4.29Å; C140-C149 WeakPolarHBondContact CA-SG 3.28Å; C140-C149 HydrophobicContact CB-CB 3.83Å; C140-C149 WeakPolarHBondContact CB-SG 3.4Å; C140-C149 WeakPolarHBondContact SG-CB 3.36Å; C140-C149 CovalentContact SG-SG 2.04Å; C140-C149 PolarHBondContact SG-SG 3.15Å; C140-L150 HydrophobicContact CB-CD2 4.46Å; C140-N153 PolarHBondContact SG-ND2 3.16Å
141I73.5Confident84.1Confident118 Ų11854.3 Ų54.361%0.60529%0.291SS*.PPolyproline II helixtrans-91.9140.5173.3-57.9174.5000107.9D143I141-D143 PolarHBondContact O-N 3.38Å
142N69Low83.7Confident130 Ų13054.3 Ų54.370%0.69529%0.291SS*.  trans-82.494177.4-171.811.6000110.6I146N142-I146 HydrophobicContact CB-CD1 4.17Å
143D68.8Low83.2Confident80 Ų8054.9 Ų54.943%0.42830%0.295SS..SBendtrans-120.511.2-176.864.1-1.1000113.7I141 F145I141-D143 PolarHBondContact O-N 3.38Å; D143-F145 PolarHBondContact OD1-N 3.19Å
144G75.1Confident82.6Confident58 Ų5861.5 Ų61.560%0.59833%0.326SS*.SBendtrans95.4-15.5-173.500000114.3
145F79.6Confident82.2Confident55 Ų5563.5 Ų63.524%0.24134%0.336CS..  trans-114.619.4177.2-62.2-83.9000112.8I68 D143 H147 L148 C149I68-F145 HydrophobicContact CD1-CD2 4.13Å; I68-F145 HydrophobicContact CD1-CE1 4.19Å; I68-F145 HydrophobicContact CD1-CE2 3.39Å; I68-F145 HydrophobicContact CD1-CZ 3.42Å; I68-F145 VanDerWaalsContact CD1-CZ 3.42Å; I68-F145 HydrophobicContact CG2-CD1 4.12Å; I68-F145 HydrophobicContact CG2-CD2 4.19Å; I68-F145 HydrophobicContact CG2-CE1 4.32Å; I68-F145 HydrophobicContact CG2-CE2 4.41Å; I68-F145 HydrophobicContact CG2-CG 4.04Å; I68-F145 HydrophobicContact CG2-CZ 4.46Å; D143-F145 PolarHBondContact OD1-N 3.19Å; F145-H147 PolarHBondContact O-N 2.04Å; F145-L148 HydrophobicContact CB-CD1 4.29Å; F145-L148 HydrophobicContact CB-CG 4.49Å; F145-L148 HydrophobicContact CD1-CD1 3.95Å; F145-L148 WeakPolarHBondContact O-CB 3.33Å; F145-L148 PolarHBondContact O-N 3.19Å; F145-C149 PolarHBondContact O-N 2.02Å
146I85.4Confident81.8Confident45 Ų4561.9 Ų61.923%0.23133%0.329CS..Hα-helixtrans-51-33.3-179.9-168.9168000113.3C140 N142 L148 C149 L150C140-I146 HydrophobicContact CB-CG1 4.29Å; N142-I146 HydrophobicContact CB-CD1 4.17Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.23Å; I146-C149 PolarHBondContact O-N 2.83Å; I146-L150 HydrophobicContact CG1-CD1 4.18Å; I146-L150 HydrophobicContact CG1-CG 4.23Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.31Å
147H84.9Confident81.7Confident146 Ų14665.1 Ų65.168%0.67635%0.35SS*.Hα-helixtrans-62.6-36.6177.5-58.6-59000112.8F145 L151F145-H147 PolarHBondContact O-N 2.04Å; H147-L151 WeakPolarHBondContact O-CB 3.44Å; H147-L151 PolarHBondContact O-N 2.92Å
148L85.6Confident82.1Confident30 Ų3070.5 Ų70.516%0.15737%0.367CS..Hα-helixtrans-68.6-43.2176.5-56.7-174.2000110.7E69 Y72 F73 F145 I146 L150 L151 M152E69-L148 HydrophobicContact CG-CD1 4.02Å; Y72-L148 HydrophobicContact CD2-CB 4.19Å; Y72-L148 HydrophobicContact CD2-CD1 4.12Å; Y72-L148 HydrophobicContact CE1-CB 4.48Å; Y72-L148 HydrophobicContact CE2-CB 4.15Å; Y72-L148 HydrophobicContact CE2-CD1 4.25Å; Y72-L148 HydrophobicContact CG-CB 4.37Å; F73-L148 HydrophobicContact CE2-CB 4.41Å; F73-L148 HydrophobicContact CE2-CD1 4.45Å; F73-L148 HydrophobicContact CE2-CD2 3.97Å; F73-L148 HydrophobicContact CZ-CD2 4.37Å; F145-L148 HydrophobicContact CB-CD1 4.29Å; F145-L148 HydrophobicContact CB-CG 4.49Å; F145-L148 HydrophobicContact CD1-CD1 3.95Å; F145-L148 WeakPolarHBondContact O-CB 3.33Å; F145-L148 PolarHBondContact O-N 3.19Å; I146-L148 VanDerWaalsContact C-N 3.32Å; I146-L148 PolarHBondContact O-N 3.23Å; L148-L150 PolarHBondContact O-N 2.67Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 PolarHBondContact O-N 3.16Å
149C87Confident83Confident4 Ų471.1 Ų71.13%0.02737%0.374CS..Hα-helixtrans-63.5-41.2175.6-179.20000112.4Y72 C140 F145 I146 M152 N153Y72-C149 HydrophobicContact CE1-CB 4.33Å; C140-C149 WeakPolarHBondContact CA-SG 3.28Å; C140-C149 HydrophobicContact CB-CB 3.83Å; C140-C149 WeakPolarHBondContact CB-SG 3.4Å; C140-C149 WeakPolarHBondContact SG-CB 3.36Å; C140-C149 CovalentContact SG-SG 2.04Å; C140-C149 PolarHBondContact SG-SG 3.15Å; F145-C149 PolarHBondContact O-N 2.02Å; I146-C149 PolarHBondContact O-N 2.83Å; C149-M152 WeakPolarHBondContact O-CB 3.42Å; C149-M152 PolarHBondContact O-N 2.73Å; C149-N153 PolarHBondContact O-N 3.28Å; C149-N153 PolarHBondContact O-OD1 3.04Å
150L88.3Confident83.7Confident92 Ų9265.6 Ų65.648%0.48235%0.352SS..Hα-helixtrans-65.5-40.2176.8-69.9175.4000112C140 I146 L148 N153 E154C140-L150 HydrophobicContact CB-CD2 4.46Å; I146-L150 HydrophobicContact CG1-CD1 4.18Å; I146-L150 HydrophobicContact CG1-CG 4.23Å; I146-L150 WeakPolarHBondContact O-CG 3.49Å; I146-L150 PolarHBondContact O-N 3.31Å; L148-L150 PolarHBondContact O-N 2.67Å; L150-N153 PolarHBondContact O-N 2.99Å; L150-E154 PolarHBondContact O-N 3.41Å
151L86.9Confident84.5Confident74 Ų7465.4 Ų65.439%0.38735%0.346SS..Hα-helixtrans-62.2-44.3173.8177.360.6000111.5F73 H147 L148 N153 E154 L155F73-L151 HydrophobicContact CE1-CD2 4.36Å; F73-L151 HydrophobicContact CZ-CD2 4.09Å; H147-L151 WeakPolarHBondContact O-CB 3.44Å; H147-L151 PolarHBondContact O-N 2.92Å; L148-L151 PolarHBondContact O-N 3.19Å; L151-N153 VanDerWaalsContact C-N 3.34Å; L151-N153 PolarHBondContact O-N 3.08Å; L151-E154 PolarHBondContact O-N 3.35Å; L151-L155 HydrophobicContact CD1-CD1 4.26Å; L151-L155 HydrophobicContact CD1-CG 4.27Å; L151-L155 HydrophobicContact CG-CD1 4.14Å; L151-L155 WeakPolarHBondContact O-CG 3.41Å; L151-L155 PolarHBondContact O-N 3.09Å
152M89.3Confident85.6Confident0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-55.9-47.3173167.1-161.885.800111.7M30 Y72 P138 L148 C149 E154 L155 L156 L169 Q171M30-M152 HydrophobicContact CE-CE 4.33Å; M30-M152 HydrophobicContact CE-SD 4.48Å; M30-M152 HydrophobicContact SD-CE 4.04Å; M30-M152 HydrophobicContact SD-SD 3.45Å; Y72-M152 HydrophobicContact CD1-CB 4.3Å; Y72-M152 HydrophobicContact CD1-SD 3.89Å; Y72-M152 HydrophobicContact CE1-SD 3.9Å; P138-M152 HydrophobicContact CG-CE 4.47Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 PolarHBondContact O-N 3.16Å; C149-M152 WeakPolarHBondContact O-CB 3.42Å; C149-M152 PolarHBondContact O-N 2.73Å; M152-E154 VanDerWaalsContact C-N 3.34Å; M152-E154 PolarHBondContact O-N 3.42Å; M152-L155 PolarHBondContact O-N 3.3Å; M152-L156 HydrophobicContact CG-CD1 4.21Å; M152-L156 WeakPolarHBondContact O-CG 3.42Å; M152-L156 PolarHBondContact O-N 3.34Å; M152-L169 HydrophobicContact CB-CD1 3.91Å; M152-L169 HydrophobicContact CG-CD1 3.92Å; M152-L169 HydrophobicContact CG-CD2 4.13Å; M152-L169 HydrophobicContact CG-CG 4.38Å; M152-Q171 HydrophobicContact CG-CB 4.2Å; M152-Q171 HydrophobicContact CG-CG 4.03Å; M152-Q171 HydrophobicContact SD-CB 4.13Å; M152-Q171 HydrophobicContact SD-CG 3.35Å; M152-Q171 WeakPolarHBondContact SD-CG 3.33Å
153N87.8Confident86.9Confident27 Ų2762.5 Ų62.514%0.14433%0.331CS..Hα-helixtrans-61.3-42178.8-763.1000112.2I137 P138 C140 C149 L150 L151 S157I137-N153 HydrophobicContact CG2-CB 3.79Å; I137-N153 WeakPolarHBondContact CG2-ND2 3.44Å; I137-N153 WeakPolarHBondContact CG2-OD1 3.46Å; P138-N153 PolarHBondContact O-ND2 3.48Å; C140-N153 PolarHBondContact SG-ND2 3.16Å; C149-N153 PolarHBondContact O-N 3.28Å; C149-N153 PolarHBondContact O-OD1 3.04Å; L150-N153 PolarHBondContact O-N 2.99Å; L151-N153 VanDerWaalsContact C-N 3.34Å; L151-N153 PolarHBondContact O-N 3.08Å; N153-S157 WeakPolarHBondContact O-CB 3.46Å; N153-S157 PolarHBondContact O-N 3.13Å; N153-S157 PolarHBondContact O-OG 3.1Å
154E85.8Confident88.3Confident139 Ų13964.6 Ų64.665%0.6534%0.337SS*.Hα-helixtrans-62.4-46.2176.3-175175.6-173.700111.3L150 L151 M152 S157 Y158L150-E154 PolarHBondContact O-N 3.41Å; L151-E154 PolarHBondContact O-N 3.35Å; M152-E154 VanDerWaalsContact C-N 3.34Å; M152-E154 PolarHBondContact O-N 3.42Å; E154-S157 PolarHBondContact O-N 2.96Å; E154-Y158 PolarHBondContact O-N 2.89Å
155L87.7Confident89.3Confident46 Ų4662.1 Ų62.124%0.24131%0.31CS..Hα-helixtrans-64.3-45.7178.2-69.3172.9000112.3L151 M152 S157 Y158 G159 I165 L169L151-L155 HydrophobicContact CD1-CD1 4.26Å; L151-L155 HydrophobicContact CD1-CG 4.27Å; L151-L155 HydrophobicContact CG-CD1 4.14Å; L151-L155 WeakPolarHBondContact O-CG 3.41Å; L151-L155 PolarHBondContact O-N 3.09Å; M152-L155 PolarHBondContact O-N 3.3Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.26Å; L155-Y158 WeakPolarHBondContact O-CB 3.5Å; L155-Y158 PolarHBondContact O-N 3.5Å; L155-Y158 VanDerWaalsContact O-N 3.14Å; L155-G159 PolarHBondContact O-N 2.92Å; L155-I165 HydrophobicContact CD2-CG1 4.45Å; L155-I165 WeakPolarHBondContact O-CD1 3.43Å; L155-L169 HydrophobicContact CB-CD2 3.92Å; L155-L169 HydrophobicContact CD1-CD1 4.4Å
156L85.8Confident90.1Very high8 Ų859.5 Ų59.54%0.04230%0.298CS..Hα-helixtrans-59.6-40.9175.4-76.1175.9000111.9M152 Y158 G159 A160 L169 Q171 A172 W175M152-L156 HydrophobicContact CG-CD1 4.21Å; M152-L156 WeakPolarHBondContact O-CG 3.42Å; M152-L156 PolarHBondContact O-N 3.34Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.4Å; L156-G159 PolarHBondContact O-N 2.93Å; L156-A160 HydrophobicContact CD2-CB 4Å; L156-L169 HydrophobicContact CD2-CD2 3.87Å; L156-L169 HydrophobicContact CG-CD2 3.71Å; L156-Q171 HydrophobicContact CD1-CB 4.01Å; L156-A172 HydrophobicContact CD2-CB 3.85Å; L156-W175 HydrophobicContact CD1-CE3 4.34Å; L156-W175 HydrophobicContact CD1-CZ3 4.37Å; L156-W175 HydrophobicContact CD2-CE3 4.15Å
157S84.8Confident90.7Very high81 Ų8158.9 Ų58.957%0.56630%0.298SS*.Hα-helixtrans-66.1-31.3177.2-57.30000112.7I137 N153 E154 L155I137-S157 WeakPolarHBondContact CD1-OG 3.44Å; N153-S157 WeakPolarHBondContact O-CB 3.46Å; N153-S157 PolarHBondContact O-N 3.13Å; N153-S157 PolarHBondContact O-OG 3.1Å; E154-S157 PolarHBondContact O-N 2.96Å; L155-S157 VanDerWaalsContact C-N 3.28Å; L155-S157 PolarHBondContact O-N 3.26Å
158Y87.2Confident91.2Very high182 Ų18256.3 Ų56.371%0.71429%0.286SS*.Hα-helixtrans-70.1-38.6176.4-176.9-101.8000112.1E154 L155 L156 I162 I165E154-Y158 PolarHBondContact O-N 2.89Å; L155-Y158 WeakPolarHBondContact O-CB 3.5Å; L155-Y158 PolarHBondContact O-N 3.5Å; L155-Y158 VanDerWaalsContact O-N 3.14Å; L156-Y158 VanDerWaalsContact C-N 3.29Å; L156-Y158 PolarHBondContact O-N 3.4Å; Y158-I162 HydrophobicContact CD1-CD1 3.49Å; Y158-I162 VanDerWaalsContact CD1-CD1 3.49Å; Y158-I162 HydrophobicContact CE1-CD1 3.37Å; Y158-I165 HydrophobicContact CD1-CD1 3.73Å
159G91.6Very high91.7Very high20 Ų2055 Ų5521%0.20628%0.279CS..Hα-helixtrans159.3104.2170.900000113.7L155 L156 Y161 I162 I165L155-G159 PolarHBondContact O-N 2.92Å; L156-G159 PolarHBondContact O-N 2.93Å; G159-Y161 VanDerWaalsContact C-N 3.26Å; G159-Y161 PolarHBondContact O-N 2.82Å; G159-I162 WeakPolarHBondContact O-CB 3.45Å; G159-I162 PolarHBondContact O-N 2.89Å; G159-I165 VanDerWaalsContact O-CD1 3.29Å; G159-I165 WeakPolarHBondContact O-CD1 3.29Å
160A94.1Very high92.3Very high7 Ų754.8 Ų54.86%0.05828%0.278CS..THydrogen-bonded Turntrans-59-29.4-176.600000114.7L156 Q166 W175L156-A160 HydrophobicContact CD2-CB 4Å; A160-Q166 VanDerWaalsContact O-CG 3.31Å; A160-Q166 WeakPolarHBondContact O-CG 3.46Å; A160-Q166 PolarHBondContact O-NE2 2.87Å; A160-W175 HydrophobicContact CB-CB 3.8Å; A160-W175 VanDerWaalsContact CB-CD1 3.41Å; A160-W175 HydrophobicContact CB-CD2 3.97Å; A160-W175 HydrophobicContact CB-CG 3.43Å; A160-W175 VanDerWaalsContact CB-CG 3.43Å
161Y96.3Very high92.6Very high32 Ų3250.4 Ų50.413%0.12526%0.255CS..THydrogen-bonded Turntrans-95.74.5-178-61.9-59.8000114.7G159 N163 W175 D177 V183 Y184G159-Y161 VanDerWaalsContact C-N 3.26Å; G159-Y161 PolarHBondContact O-N 2.82Å; Y161-N163 PolarHBondContact O-N 2.98Å; Y161-W175 AromaticContact CE2-CD1 3.85Å; Y161-W175 AromaticContact CZ-CD1 3.67Å; Y161-W175 PolarHBondContact OH-O 2.84Å; Y161-D177 HydrophobicContact CE2-CB 3.78Å; Y161-D177 PolarHBondContact OH-N 2.99Å; Y161-V183 HydrophobicContact CD2-CB 4.44Å; Y161-V183 HydrophobicContact CD2-CG1 3.51Å; Y161-V183 HydrophobicContact CE2-CG1 4.2Å; Y161-V183 HydrophobicContact CG-CG1 3.84Å; Y161-Y184 HydrophobicContact CE1-CD2 4.29Å; Y161-Y184 WeakPolarHBondContact OH-CB 3.26Å
162I96.5Very high93.1Very high71 Ų7146.9 Ų46.936%0.36424%0.236SC..SBendtrans-65.3128.4172.1-66.4174.5000108Y158 G159 F164 I165 Q166Y158-I162 HydrophobicContact CD1-CD1 3.49Å; Y158-I162 VanDerWaalsContact CD1-CD1 3.49Å; Y158-I162 HydrophobicContact CE1-CD1 3.37Å; G159-I162 WeakPolarHBondContact O-CB 3.45Å; G159-I162 PolarHBondContact O-N 2.89Å; I162-F164 HydrophobicContact CG2-CB 4.46Å; I162-F164 PolarHBondContact O-N 2.9Å; I162-F164 VanDerWaalsContact O-N 3.1Å; I162-I165 HydrophobicContact CB-CB 4.4Å; I162-I165 HydrophobicContact CB-CD1 4.17Å; I162-I165 HydrophobicContact CB-CG1 4.45Å; I162-I165 HydrophobicContact CD1-CD1 4.29Å; I162-I165 WeakPolarHBondContact O-CA 3.26Å; I162-I165 PolarHBondContact O-N 3.23Å; I162-Q166 PolarHBondContact O-N 3.39Å
163N97.2Very high93.6Very high115 Ų11547 Ų4762%0.61524%0.237SC*.Hα-helixtrans-51-42.5-172.6-174.672.9000113.3Y161 S167 Q189Y161-N163 PolarHBondContact O-N 2.98Å; N163-S167 WeakPolarHBondContact O-CB 3.33Å; N163-S167 PolarHBondContact O-N 2.72Å; N163-S167 PolarHBondContact O-OG 3.24Å; N163-S167 VanDerWaalsContact O-OG 3.05Å; N163-Q189 PolarHBondContact OD1-NE2 3.29Å; N163-Q189 VanDerWaalsContact OD1-NE2 3.09Å
164F97.1Very high94Very high124 Ų12446.2 Ų46.254%0.54423%0.232SC..Hα-helixtrans-60.9-44.9175.7177.1-97.3000112.3I162 S167 H168I162-F164 HydrophobicContact CG2-CB 4.46Å; I162-F164 PolarHBondContact O-N 2.9Å; I162-F164 VanDerWaalsContact O-N 3.1Å; F164-S167 PolarHBondContact O-N 3.04Å; F164-H168 AromaticContact CD2-CE1 3.49Å; F164-H168 VanDerWaalsContact CD2-CE1 3.49Å; F164-H168 WeakPolarHBondContact CD2-CE1 3.45Å; F164-H168 AromaticContact CD2-ND1 3.43Å; F164-H168 WeakPolarHBondContact CD2-ND1 3.36Å; F164-H168 AromaticContact CE2-CE1 3.48Å; F164-H168 VanDerWaalsContact CE2-CE1 3.48Å; F164-H168 WeakPolarHBondContact CE2-CE1 3.4Å; F164-H168 AromaticContact CE2-CG 3.92Å; F164-H168 AromaticContact CE2-ND1 3.48Å; F164-H168 WeakPolarHBondContact CE2-ND1 3.18Å; F164-H168 AromaticContact CE2-NE2 3.88Å; F164-H168 AromaticContact CG-ND1 3.98Å; F164-H168 WeakPolarHBondContact O-CB 3.37Å; F164-H168 PolarHBondContact O-N 2.67Å; F164-H168 VanDerWaalsContact O-N 3.13Å; F164-H168 PolarHBondContact O-ND1 3.29Å
165I96.3Very high94.6Very high6 Ų640.9 Ų40.93%0.03121%0.206CC..Hα-helixtrans-68.6-45.7-179.6-69.1168.5000110.6L155 Y158 G159 I162 S167 H168 L169 A172L155-I165 HydrophobicContact CD2-CG1 4.45Å; L155-I165 WeakPolarHBondContact O-CD1 3.43Å; Y158-I165 HydrophobicContact CD1-CD1 3.73Å; G159-I165 VanDerWaalsContact O-CD1 3.29Å; G159-I165 WeakPolarHBondContact O-CD1 3.29Å; I162-I165 HydrophobicContact CB-CB 4.4Å; I162-I165 HydrophobicContact CB-CD1 4.17Å; I162-I165 HydrophobicContact CB-CG1 4.45Å; I162-I165 HydrophobicContact CD1-CD1 4.29Å; I162-I165 WeakPolarHBondContact O-CA 3.26Å; I162-I165 PolarHBondContact O-N 3.23Å; I165-S167 PolarHBondContact O-N 2.76Å; I165-H168 PolarHBondContact O-N 2.67Å; I165-L169 HydrophobicContact CG2-CB 4.12Å; I165-L169 HydrophobicContact CG2-CD2 4.13Å; I165-L169 VanDerWaalsContact O-CB 3.32Å; I165-L169 WeakPolarHBondContact O-CB 3.36Å; I165-L169 PolarHBondContact O-N 3.22Å; I165-A172 HydrophobicContact CG2-CB 3.64Å
166Q97.2Very high95.1Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-53.7-41.6172.4-82.1-68.6-4400111.9A160 I162 A172 Q173 Q189A160-Q166 VanDerWaalsContact O-CG 3.31Å; A160-Q166 WeakPolarHBondContact O-CG 3.46Å; A160-Q166 PolarHBondContact O-NE2 2.87Å; I162-Q166 PolarHBondContact O-N 3.39Å; Q166-A172 VanDerWaalsContact NE2-C 3.31Å; Q166-A172 PolarHBondContact NE2-O 2.94Å; Q166-Q173 VanDerWaalsContact O-CD 3.26Å; Q166-Q173 WeakPolarHBondContact O-CG 3.43Å; Q166-Q173 PolarHBondContact O-NE2 2.9Å; Q166-Q189 HydrophobicContact CB-CG 3.89Å; Q166-Q189 HydrophobicContact CG-CG 4.42Å; Q166-Q189 PolarHBondContact O-OE1 3.32Å
167S97.2Very high95.6Very high32 Ų3240.1 Ų40.122%0.22420%0.202CC..Hα-helixtrans-84.1-6.4-176.4-59.30000115.4P75 N163 F164 I165 Q189P75-S167 WeakPolarHBondContact CG-O 3.46Å; N163-S167 WeakPolarHBondContact O-CB 3.33Å; N163-S167 PolarHBondContact O-N 2.72Å; N163-S167 PolarHBondContact O-OG 3.24Å; N163-S167 VanDerWaalsContact O-OG 3.05Å; F164-S167 PolarHBondContact O-N 3.04Å; I165-S167 PolarHBondContact O-N 2.76Å; S167-Q189 VanDerWaalsContact OG-CD 3.27Å; S167-Q189 PolarHBondContact OG-NE2 3.08Å; S167-Q189 PolarHBondContact OG-OE1 3.36Å
168H95.9Very high96.1Very high93 Ų9336.2 Ų36.243%0.43118%0.175SC..Hα-helixtrans-134-2.5-176.7-60.283000113.8F73 F164 I165F73-H168 VanDerWaalsContact CA-O 3.3Å; F73-H168 WeakPolarHBondContact CA-O 3.29Å; F164-H168 AromaticContact CD2-CE1 3.49Å; F164-H168 VanDerWaalsContact CD2-CE1 3.49Å; F164-H168 WeakPolarHBondContact CD2-CE1 3.45Å; F164-H168 AromaticContact CD2-ND1 3.43Å; F164-H168 WeakPolarHBondContact CD2-ND1 3.36Å; F164-H168 AromaticContact CE2-CE1 3.48Å; F164-H168 VanDerWaalsContact CE2-CE1 3.48Å; F164-H168 WeakPolarHBondContact CE2-CE1 3.4Å; F164-H168 AromaticContact CE2-CG 3.92Å; F164-H168 AromaticContact CE2-ND1 3.48Å; F164-H168 WeakPolarHBondContact CE2-ND1 3.18Å; F164-H168 AromaticContact CE2-NE2 3.88Å; F164-H168 AromaticContact CG-ND1 3.98Å; F164-H168 WeakPolarHBondContact O-CB 3.37Å; F164-H168 PolarHBondContact O-N 2.67Å; F164-H168 VanDerWaalsContact O-N 3.13Å; F164-H168 PolarHBondContact O-ND1 3.29Å; I165-H168 PolarHBondContact O-N 2.67Å
169L96.6Very high96.5Very high1 Ų131.5 Ų31.51%0.00516%0.161CC..  trans-125.9114.1177.1-169.670.6000109.9Y72 F73 M152 L155 L156 I165 Q171 A172 Q173Y72-L169 WeakPolarHBondContact O-CA 3.28Å; F73-L169 HydrophobicContact CD1-CD1 4.15Å; F73-L169 HydrophobicContact CE1-CD1 3.96Å; M152-L169 HydrophobicContact CB-CD1 3.91Å; M152-L169 HydrophobicContact CG-CD1 3.92Å; M152-L169 HydrophobicContact CG-CD2 4.13Å; M152-L169 HydrophobicContact CG-CG 4.38Å; L155-L169 HydrophobicContact CB-CD2 3.92Å; L155-L169 HydrophobicContact CD1-CD1 4.4Å; L156-L169 HydrophobicContact CD2-CD2 3.87Å; L156-L169 HydrophobicContact CG-CD2 3.71Å; I165-L169 HydrophobicContact CG2-CB 4.12Å; I165-L169 HydrophobicContact CG2-CD2 4.13Å; I165-L169 VanDerWaalsContact O-CB 3.32Å; I165-L169 WeakPolarHBondContact O-CB 3.36Å; I165-L169 PolarHBondContact O-N 3.22Å; L169-Q171 VanDerWaalsContact C-N 3.27Å; L169-Q171 PolarHBondContact O-N 3.06Å; L169-A172 HydrophobicContact CB-CB 4.09Å; L169-A172 HydrophobicContact CD2-CB 4.26Å; L169-A172 HydrophobicContact CG-CB 4.44Å; L169-A172 WeakPolarHBondContact O-CB 3.49Å; L169-A172 PolarHBondContact O-N 3.19Å; L169-A172 VanDerWaalsContact O-N 3.12Å; L169-Q173 PolarHBondContact O-N 3.13Å
170V97.7Very high96.7Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-56.7-42.8-178.1169.70000111.6T71 Y72 M74 I76 F108 A172 Q173 Y174T71-V170 WeakPolarHBondContact O-CB 3.33Å; Y72-V170 WeakPolarHBondContact O-CB 3.4Å; Y72-V170 WeakPolarHBondContact O-CG2 3.41Å; Y72-V170 PolarHBondContact O-N 2.95Å; M74-V170 WeakPolarHBondContact O-CG2 3.36Å; I76-V170 HydrophobicContact CD1-CG1 4.02Å; I76-V170 HydrophobicContact CG1-CB 4.46Å; I76-V170 HydrophobicContact CG1-CG1 3.77Å; I76-V170 HydrophobicContact CG1-CG2 4.44Å; F108-V170 HydrophobicContact CZ-CG1 3.85Å; V170-A172 VanDerWaalsContact C-N 3.27Å; V170-A172 PolarHBondContact O-N 3.48Å; V170-Q173 WeakPolarHBondContact O-CB 3.47Å; V170-Q173 PolarHBondContact O-N 3.02Å; V170-Q173 VanDerWaalsContact O-N 3.08Å; V170-Y174 HydrophobicContact CG1-CE1 3.74Å; V170-Y174 WeakPolarHBondContact O-CD1 3.11Å; V170-Y174 WeakPolarHBondContact O-CE1 3.27Å
171Q96.4Very high96.8Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-67.7-29.8-177.3-66.570.32200112.2M30 T71 M152 L156 L169 Q173 Y174 W175M30-Q171 HydrophobicContact SD-CG 3.87Å; M30-Q171 PolarHBondContact SD-NE2 3.47Å; T71-Q171 PolarHBondContact O-NE2 3.49Å; M152-Q171 HydrophobicContact CG-CB 4.2Å; M152-Q171 HydrophobicContact CG-CG 4.03Å; M152-Q171 HydrophobicContact SD-CB 4.13Å; M152-Q171 HydrophobicContact SD-CG 3.35Å; M152-Q171 WeakPolarHBondContact SD-CG 3.33Å; L156-Q171 HydrophobicContact CD1-CB 4.01Å; L169-Q171 VanDerWaalsContact C-N 3.27Å; L169-Q171 PolarHBondContact O-N 3.06Å; Q171-Q173 VanDerWaalsContact C-N 3.28Å; Q171-Q173 PolarHBondContact O-N 3.15Å; Q171-Y174 HydrophobicContact CB-CE2 4.24Å; Q171-Y174 HydrophobicContact CG-CE2 4.27Å; Q171-Y174 WeakPolarHBondContact CG-OH 3.32Å; Q171-Y174 CarbonylContact O-C 3.51Å; Q171-Y174 PolarHBondContact O-N 3.12Å; Q171-W175 PolarHBondContact O-N 2.97Å; Q171-W175 VanDerWaalsContact O-N 3.16Å
172A97Very high96.9Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-66.1-35.2173.800000111.1L156 I165 Q166 L169 V170 Y174 W175L156-A172 HydrophobicContact CD2-CB 3.85Å; I165-A172 HydrophobicContact CG2-CB 3.64Å; Q166-A172 VanDerWaalsContact NE2-C 3.31Å; Q166-A172 PolarHBondContact NE2-O 2.94Å; L169-A172 HydrophobicContact CB-CB 4.09Å; L169-A172 HydrophobicContact CD2-CB 4.26Å; L169-A172 HydrophobicContact CG-CB 4.44Å; L169-A172 WeakPolarHBondContact O-CB 3.49Å; L169-A172 PolarHBondContact O-N 3.19Å; L169-A172 VanDerWaalsContact O-N 3.12Å; V170-A172 VanDerWaalsContact C-N 3.27Å; V170-A172 PolarHBondContact O-N 3.48Å; A172-Y174 PolarHBondContact O-N 2.9Å; A172-W175 VanDerWaalsContact O-CB 3.24Å; A172-W175 WeakPolarHBondContact O-CB 3.35Å; A172-W175 PolarHBondContact O-N 2.93Å
173Q98.4Very high96.9Very high3 Ų339.5 Ų39.51%0.01420%0.199CC..Hα-helixtrans-67.8-16.7-178.7-66.5-178.931.700113.8I76 Q166 L169 V170 Q171 F190 L191I76-Q173 HydrophobicContact CD1-CB 3.54Å; I76-Q173 HydrophobicContact CD1-CG 4.49Å; I76-Q173 HydrophobicContact CG1-CB 4.27Å; Q166-Q173 VanDerWaalsContact O-CD 3.26Å; Q166-Q173 WeakPolarHBondContact O-CG 3.43Å; Q166-Q173 PolarHBondContact O-NE2 2.9Å; L169-Q173 PolarHBondContact O-N 3.13Å; V170-Q173 WeakPolarHBondContact O-CB 3.47Å; V170-Q173 PolarHBondContact O-N 3.02Å; V170-Q173 VanDerWaalsContact O-N 3.08Å; Q171-Q173 VanDerWaalsContact C-N 3.28Å; Q171-Q173 PolarHBondContact O-N 3.15Å; Q173-F190 HydrophobicContact CB-CB 3.82Å; Q173-F190 WeakPolarHBondContact O-CB 3.16Å; Q173-L191 VanDerWaalsContact O-CB 3.31Å; Q173-L191 WeakPolarHBondContact O-CB 3.3Å; Q173-L191 PolarHBondContact O-N 2.89Å
174Y98Very high96.9Very high11 Ų1134 Ų344%0.04317%0.169CC..THydrogen-bonded Turntrans-119.224.5167.257.6-106.5000113.8I76 Q104 L107 F108 P130 G133 I134 V170 Q171 A172I76-Y174 HydrophobicContact CD1-CD1 3.76Å; I76-Y174 HydrophobicContact CD1-CE1 4.32Å; Q104-Y174 HydrophobicContact CG-CE1 3.92Å; Q104-Y174 PolarHBondContact NE2-OH 3.48Å; L107-Y174 HydrophobicContact CD2-CD1 4.05Å; L107-Y174 HydrophobicContact CD2-CG 4.02Å; F108-Y174 HydrophobicContact CE1-CE1 4.49Å; P130-Y174 HydrophobicContact CG-CD2 4.46Å; P130-Y174 HydrophobicContact CG-CE2 4.49Å; G133-Y174 CarbonylContact C-O 3.52Å; G133-Y174 WeakPolarHBondContact CA-O 3.07Å; I134-Y174 HydrophobicContact CD1-CD2 4.28Å; I134-Y174 HydrophobicContact CD1-CE2 3.91Å; I134-Y174 HydrophobicContact CG1-CD2 4.03Å; I134-Y174 HydrophobicContact CG1-CE2 4.16Å; I134-Y174 PolarHBondContact N-O 3.37Å; V170-Y174 HydrophobicContact CG1-CE1 3.74Å; V170-Y174 WeakPolarHBondContact O-CD1 3.11Å; V170-Y174 WeakPolarHBondContact O-CE1 3.27Å; Q171-Y174 HydrophobicContact CB-CE2 4.24Å; Q171-Y174 HydrophobicContact CG-CE2 4.27Å; Q171-Y174 WeakPolarHBondContact CG-OH 3.32Å; Q171-Y174 CarbonylContact O-C 3.51Å; Q171-Y174 PolarHBondContact O-N 3.12Å; A172-Y174 PolarHBondContact O-N 2.9Å
175W97.7Very high97Very high27 Ų2731.5 Ų31.510%0.10216%0.156CC..BIsolated β-bridgetrans-74.5128165.7-171.8-94000110.3I134 F135 I137 L156 A160 Y161 Q171 A172I134-W175 HydrophobicContact CD1-CE3 4.38Å; I134-W175 HydrophobicContact CG1-CE3 4.02Å; I134-W175 HydrophobicContact CG1-CZ3 4.41Å; I134-W175 WeakPolarHBondContact O-CA 3.39Å; F135-W175 VanDerWaalsContact C-CH2 3.4Å; F135-W175 AromaticContact CD2-CE2 3.97Å; F135-W175 HydrophobicContact CD2-CH2 4.43Å; F135-W175 AromaticContact CD2-CZ2 3.64Å; F135-W175 HydrophobicContact CD2-CZ2 3.64Å; F135-W175 HydrophobicContact CE2-CZ2 4.01Å; F135-W175 WeakPolarHBondContact O-CH2 3.42Å; F135-W175 WeakPolarHBondContact O-CZ2 3.35Å; I137-W175 HydrophobicContact CG1-CH2 4.31Å; I137-W175 HydrophobicContact CG1-CZ3 4.46Å; L156-W175 HydrophobicContact CD1-CE3 4.34Å; L156-W175 HydrophobicContact CD1-CZ3 4.37Å; L156-W175 HydrophobicContact CD2-CE3 4.15Å; A160-W175 HydrophobicContact CB-CB 3.8Å; A160-W175 VanDerWaalsContact CB-CD1 3.41Å; A160-W175 HydrophobicContact CB-CD2 3.97Å; A160-W175 HydrophobicContact CB-CG 3.43Å; A160-W175 VanDerWaalsContact CB-CG 3.43Å; Y161-W175 AromaticContact CE2-CD1 3.85Å; Y161-W175 AromaticContact CZ-CD1 3.67Å; Y161-W175 PolarHBondContact OH-O 2.84Å; Q171-W175 PolarHBondContact O-N 2.97Å; Q171-W175 VanDerWaalsContact O-N 3.16Å; A172-W175 VanDerWaalsContact O-CB 3.24Å; A172-W175 WeakPolarHBondContact O-CB 3.35Å; A172-W175 PolarHBondContact O-N 2.93Å
176H97.5Very high97.1Very high6 Ų638.3 Ų38.33%0.02819%0.186CC..  trans-128.4101.2-178.8-173.9175.1000108.3Q132 I134 F135 P178 E181 Y184 L191 F235Q132-H176 WeakPolarHBondContact O-CB 3.45Å; Q132-H176 PolarHBondContact O-ND1 2.79Å; Q132-H176 PolarHBondContact OE1-CE1 2.95Å; Q132-H176 VanDerWaalsContact OE1-CE1 3.3Å; I134-H176 PolarHBondContact O-N 3.42Å; F135-H176 WeakPolarHBondContact CB-O 3.01Å; H176-P178 VanDerWaalsContact O-CD 3.27Å; H176-P178 WeakPolarHBondContact O-CD 3.48Å; H176-E181 IonicContact CD2-OE1 2.67Å; H176-E181 PolarHBondContact CD2-OE1 3.37Å; H176-E181 IonicContact NE2-OE1 2.87Å; H176-E181 PolarHBondContact NE2-OE1 3.26Å; H176-E181 IonicContact NE2-OE2 3.21Å; H176-Y184 HydrophobicContact CB-CD2 4.5Å; H176-Y184 HydrophobicContact CB-CE2 4.34Å; H176-Y184 AromaticContact CD2-CD1 3.41Å; H176-Y184 VanDerWaalsContact CD2-CD1 3.41Å; H176-Y184 WeakPolarHBondContact CD2-CD1 3.45Å; H176-Y184 AromaticContact CD2-CE1 3.51Å; H176-Y184 AromaticContact CD2-CG 3.73Å; H176-Y184 AromaticContact CD2-CZ 3.9Å; H176-Y184 AromaticContact CE1-CE1 3.75Å; H176-Y184 AromaticContact CG-CZ 3.99Å; H176-Y184 AromaticContact NE2-CD1 3.47Å; H176-Y184 WeakPolarHBondContact NE2-CD1 3.4Å; H176-Y184 AromaticContact NE2-CE1 3.29Å; H176-Y184 VanDerWaalsContact NE2-CE1 3.29Å; H176-Y184 WeakPolarHBondContact NE2-CE1 3.47Å; H176-Y184 AromaticContact NE2-CZ 3.97Å; H176-L191 HydrophobicContact CB-CD2 3.87Å; H176-F235 HydrophobicContact CB-CE1 3.79Å; H176-F235 HydrophobicContact CB-CE2 4.25Å; H176-F235 HydrophobicContact CB-CZ 3.52Å; H176-F235 AromaticContact CD2-CE1 3.69Å; H176-F235 AromaticContact CE1-CD1 3.52Å; H176-F235 AromaticContact CE1-CE1 3.77Å; H176-F235 AromaticContact CG-CD1 3.92Å; H176-F235 AromaticContact CG-CE1 3.33Å; H176-F235 AromaticContact CG-CZ 3.59Å; H176-F235 AromaticContact ND1-CD1 3.48Å; H176-F235 WeakPolarHBondContact ND1-CD1 3.43Å; H176-F235 AromaticContact ND1-CE1 3.38Å; H176-F235 WeakPolarHBondContact ND1-CE1 3.5Å; H176-F235 AromaticContact ND1-CG 3.91Å; H176-F235 AromaticContact ND1-CZ 3.7Å; H176-F235 AromaticContact NE2-CD1 3.95Å; H176-F235 AromaticContact NE2-CE1 3.96Å; H176-F235 WeakPolarHBondContact O-CE1 3.48Å; H176-F235 WeakPolarHBondContact O-CZ 3.38Å
177D96.2Very high97.1Very high31 Ų3143.5 Ų43.517%0.16621%0.206CC..  trans-87.6104.9179-168.7-24.2000110.6F135 Y161 L179 E180F135-D177 HydrophobicContact CD2-CB 4.21Å; F135-D177 HydrophobicContact CE2-CB 3.98Å; F135-D177 WeakPolarHBondContact CE2-OD1 3.31Å; Y161-D177 HydrophobicContact CE2-CB 3.78Å; Y161-D177 PolarHBondContact OH-N 2.99Å; D177-L179 PolarHBondContact O-N 3.02Å; D177-L179 WeakPolarHBondContact OD1-CA 3.37Å; D177-L179 VanDerWaalsContact OD1-CB 3.3Å; D177-L179 WeakPolarHBondContact OD1-CB 3.14Å; D177-L179 PolarHBondContact OD1-N 3.08Å; D177-E180 CarbonylContact O-C 3.58Å; D177-E180 PolarHBondContact O-N 3.44Å
178P95.9Very high97.2Very high0 Ų042.7 Ų42.70%020%0.2CC..THydrogen-bonded Turntrans-72.4-10.2-178.535.7-38.9000112.6F135 H176 F235 Y236 G239 S240F135-P178 HydrophobicContact CD1-CG 3.72Å; F135-P178 HydrophobicContact CD2-CG 4.46Å; F135-P178 HydrophobicContact CE1-CG 3.88Å; F135-P178 HydrophobicContact CG-CG 4.03Å; F135-P178 HydrophobicContact CZ-CG 4.32Å; H176-P178 VanDerWaalsContact O-CD 3.27Å; H176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-F235 HydrophobicContact CB-CE1 4.21Å; P178-F235 HydrophobicContact CG-CE1 4.46Å; P178-Y236 HydrophobicContact CB-CG 4.48Å; P178-Y236 HydrophobicContact CG-CD2 3.85Å; P178-Y236 HydrophobicContact CG-CG 4.13Å; P178-G239 PolarHBondContact O-N 3.33Å; P178-S240 WeakPolarHBondContact CB-O 3.07Å; P178-S240 WeakPolarHBondContact CG-O 3.46Å
179L96.2Very high97.3Very high83 Ų8341.3 Ų41.344%0.43519%0.194SC..THydrogen-bonded Turntrans-86.9-18.3176.9-53.1-178.8000111.9F135 D177F135-L179 HydrophobicContact CE1-CD1 4.45Å; F135-L179 HydrophobicContact CE1-CG 4.45Å; F135-L179 HydrophobicContact CZ-CD1 3.96Å; F135-L179 HydrophobicContact CZ-CG 4.07Å; D177-L179 PolarHBondContact O-N 3.02Å; D177-L179 WeakPolarHBondContact OD1-CA 3.37Å; D177-L179 VanDerWaalsContact OD1-CB 3.3Å; D177-L179 WeakPolarHBondContact OD1-CB 3.14Å; D177-L179 PolarHBondContact OD1-N 3.08Å
180E95Very high97.4Very high109 Ų10941.2 Ų41.251%0.50919%0.194SC..  trans-136.953.7-174.7-68-71.1177.800110.9D177 D182 V183 Y184D177-E180 CarbonylContact O-C 3.58Å; D177-E180 PolarHBondContact O-N 3.44Å; E180-D182 VanDerWaalsContact C-N 3.26Å; E180-D182 PolarHBondContact O-N 3.21Å; E180-D182 VanDerWaalsContact O-N 3.16Å; E180-V183 HydrophobicContact CB-CB 4.04Å; E180-V183 HydrophobicContact CB-CG2 3.98Å; E180-V183 WeakPolarHBondContact O-CA 3.4Å; E180-V183 WeakPolarHBondContact O-CB 3.1Å; E180-V183 PolarHBondContact O-N 3.19Å; E180-Y184 PolarHBondContact O-N 3.39Å
181E96.4Very high97.4Very high17 Ų1741.2 Ų41.28%0.07919%0.194CC..Hα-helixtrans-51.3-39.7-177.6-79.2-68.2117.100113.9H176 V183 Y184 R185 N238H176-E181 IonicContact CD2-OE1 2.67Å; H176-E181 PolarHBondContact CD2-OE1 3.37Å; H176-E181 IonicContact NE2-OE1 2.87Å; H176-E181 PolarHBondContact NE2-OE1 3.26Å; H176-E181 IonicContact NE2-OE2 3.21Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.44Å; E181-Y184 WeakPolarHBondContact O-CB 3.24Å; E181-Y184 PolarHBondContact O-N 2.95Å; E181-R185 WeakPolarHBondContact O-CB 3.41Å; E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 3.31Å; E181-R185 IonicContact OE2-CZ 3.72Å; E181-R185 IonicContact OE2-NH2 2.82Å; E181-R185 PolarHBondContact OE2-NH2 3.33Å; E181-N238 HydrophobicContact CG-CB 4.05Å; E181-N238 VanDerWaalsContact CG-CG 3.5Å; E181-N238 WeakPolarHBondContact CG-OD1 3.35Å
182D97.5Very high97.5Very high127 Ų12741.3 Ų41.368%0.67919%0.194SC*.Hα-helixtrans-68.3-31.9180-71-20.6000111.8E180 R185 K186E180-D182 VanDerWaalsContact C-N 3.26Å; E180-D182 PolarHBondContact O-N 3.21Å; E180-D182 VanDerWaalsContact O-N 3.16Å; D182-R185 IonicContact OD1-NH1 3.79Å; D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 PolarHBondContact O-N 3.2Å
183V97.8Very high97.6Very high44 Ų4444 Ų4427%0.26721%0.209SC..Hα-helixtrans-71.3-47.2173.8-1780000109.4Y161 E180 E181 R185 K186 Y187Y161-V183 HydrophobicContact CD2-CB 4.44Å; Y161-V183 HydrophobicContact CD2-CG1 3.51Å; Y161-V183 HydrophobicContact CE2-CG1 4.2Å; Y161-V183 HydrophobicContact CG-CG1 3.84Å; E180-V183 HydrophobicContact CB-CB 4.04Å; E180-V183 HydrophobicContact CB-CG2 3.98Å; E180-V183 WeakPolarHBondContact O-CA 3.4Å; E180-V183 WeakPolarHBondContact O-CB 3.1Å; E180-V183 PolarHBondContact O-N 3.19Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.44Å; V183-R185 PolarHBondContact O-N 2.85Å; V183-K186 PolarHBondContact O-N 2.76Å; V183-Y187 HydrophobicContact CB-CD2 4.34Å; V183-Y187 HydrophobicContact CG1-CD2 3.62Å; V183-Y187 HydrophobicContact CG1-CE2 4.19Å; V183-Y187 WeakPolarHBondContact O-CB 3.41Å; V183-Y187 VanDerWaalsContact O-CD2 3.3Å; V183-Y187 WeakPolarHBondContact O-CD2 3.42Å; V183-Y187 PolarHBondContact O-N 3.36Å
184Y97.8Very high97.6Very high0 Ų043.9 Ų43.90%021%0.208CC..Hα-helixtrans-52.3-56.7174.3160.3-121.3000111.5Y161 H176 E180 E181 K186 Y187 S188 L191 A192 E197Y161-Y184 HydrophobicContact CE1-CD2 4.29Å; Y161-Y184 WeakPolarHBondContact OH-CB 3.26Å; H176-Y184 HydrophobicContact CB-CD2 4.5Å; H176-Y184 HydrophobicContact CB-CE2 4.34Å; H176-Y184 AromaticContact CD2-CD1 3.41Å; H176-Y184 VanDerWaalsContact CD2-CD1 3.41Å; H176-Y184 WeakPolarHBondContact CD2-CD1 3.45Å; H176-Y184 AromaticContact CD2-CE1 3.51Å; H176-Y184 AromaticContact CD2-CG 3.73Å; H176-Y184 AromaticContact CD2-CZ 3.9Å; H176-Y184 AromaticContact CE1-CE1 3.75Å; H176-Y184 AromaticContact CG-CZ 3.99Å; H176-Y184 AromaticContact NE2-CD1 3.47Å; H176-Y184 WeakPolarHBondContact NE2-CD1 3.4Å; H176-Y184 AromaticContact NE2-CE1 3.29Å; H176-Y184 VanDerWaalsContact NE2-CE1 3.29Å; H176-Y184 WeakPolarHBondContact NE2-CE1 3.47Å; H176-Y184 AromaticContact NE2-CZ 3.97Å; E180-Y184 PolarHBondContact O-N 3.39Å; E181-Y184 WeakPolarHBondContact O-CB 3.24Å; E181-Y184 PolarHBondContact O-N 2.95Å; Y184-K186 PolarHBondContact O-N 2.81Å; Y184-Y187 PolarHBondContact O-N 2.85Å; Y184-S188 WeakPolarHBondContact O-CB 3.49Å; Y184-S188 PolarHBondContact O-N 2.83Å; Y184-L191 HydrophobicContact CE2-CB 4.28Å; Y184-L191 HydrophobicContact CE2-CD2 3.97Å; Y184-L191 HydrophobicContact CE2-CG 4.22Å; Y184-A192 HydrophobicContact CE1-CB 4.5Å; Y184-A192 HydrophobicContact CE2-CB 3.89Å; Y184-A192 WeakPolarHBondContact OH-CA 3.5Å; Y184-E197 HydrophobicContact CE1-CG 3.79Å; Y184-E197 PolarHBondContact OH-OE1 3.27Å
185R98.1Very high97.6Very high71 Ų7143.4 Ų43.427%0.26821%0.206SC..Hα-helixtrans-58.9-35.5-178.6-72.5-170.1-171113.214.9113.2E181 D182 V183 E197 N198E181-R185 WeakPolarHBondContact O-CB 3.41Å; E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.32Å; E181-R185 PolarHBondContact O-N 3.31Å; E181-R185 IonicContact OE2-CZ 3.72Å; E181-R185 IonicContact OE2-NH2 2.82Å; E181-R185 PolarHBondContact OE2-NH2 3.33Å; D182-R185 IonicContact OD1-NH1 3.79Å; V183-R185 PolarHBondContact O-N 2.85Å; R185-E197 HydrophobicContact CG-CB 3.97Å; R185-E197 IonicContact NE-OE2 3.81Å; R185-N198 PolarHBondContact O-ND2 3.02Å
186K98.1Very high97.6Very high150 Ų15042.3 Ų42.365%0.65220%0.202SC*.Hα-helixtrans-82.9-35.1-175.8-175174.6178.2-169.90113.8D182 V183 Y184D182-K186 WeakPolarHBondContact O-CB 3.35Å; D182-K186 PolarHBondContact O-N 3.2Å; V183-K186 PolarHBondContact O-N 2.76Å; Y184-K186 PolarHBondContact O-N 2.81Å
187Y98.2Very high97.6Very high108 Ų10843.4 Ų43.442%0.42421%0.207SC..Hα-helixtrans-115.3-13.3-167.9-62.9-71.8000114.6V183 Y184 Q189V183-Y187 HydrophobicContact CB-CD2 4.34Å; V183-Y187 HydrophobicContact CG1-CD2 3.62Å; V183-Y187 HydrophobicContact CG1-CE2 4.19Å; V183-Y187 WeakPolarHBondContact O-CB 3.41Å; V183-Y187 VanDerWaalsContact O-CD2 3.3Å; V183-Y187 WeakPolarHBondContact O-CD2 3.42Å; V183-Y187 PolarHBondContact O-N 3.36Å; Y184-Y187 PolarHBondContact O-N 2.85Å; Y187-Q189 PolarHBondContact O-N 3.43Å
188S98.3Very high97.7Very high15 Ų1547.1 Ų47.111%0.10523%0.227CC..  trans-62119.9171.2158.90000110.5Y184 F190 L191 A192Y184-S188 WeakPolarHBondContact O-CB 3.49Å; Y184-S188 PolarHBondContact O-N 2.83Å; S188-F190 VanDerWaalsContact C-N 3.33Å; S188-F190 PolarHBondContact O-N 3.34Å; S188-L191 PolarHBondContact OG-N 3.27Å; S188-A192 PolarHBondContact OG-N 3.4Å
189Q98.1Very high97.7Very high64 Ų6454.2 Ų54.230%0.29926%0.261SS..SBendtrans-84.3-5.6-179.4-67.2-178-600114.1N77 N163 Q166 S167 Y187N77-Q189 PolarHBondContact ND2-O 3.09Å; N163-Q189 PolarHBondContact OD1-NE2 3.29Å; N163-Q189 VanDerWaalsContact OD1-NE2 3.09Å; Q166-Q189 HydrophobicContact CB-CG 3.89Å; Q166-Q189 HydrophobicContact CG-CG 4.42Å; Q166-Q189 PolarHBondContact O-OE1 3.32Å; S167-Q189 VanDerWaalsContact OG-CD 3.27Å; S167-Q189 PolarHBondContact OG-NE2 3.08Å; S167-Q189 PolarHBondContact OG-OE1 3.36Å; Y187-Q189 PolarHBondContact O-N 3.43Å
190F98.7Very high97.8Very high0 Ų053.4 Ų53.40%026%0.256CS..SBendtrans-141-62.6-176.5175.2-106.6000113.7I76 L80 L107 A111 Q173 S188 A192 D193 I194I76-F190 HydrophobicContact CB-CD1 4.37Å; I76-F190 HydrophobicContact CB-CD2 3.95Å; I76-F190 HydrophobicContact CB-CE1 4.41Å; I76-F190 HydrophobicContact CB-CE2 4.04Å; I76-F190 HydrophobicContact CB-CG 4.11Å; I76-F190 HydrophobicContact CB-CZ 4.23Å; I76-F190 HydrophobicContact CD1-CB 4.33Å; I76-F190 HydrophobicContact CD1-CD1 3.39Å; I76-F190 HydrophobicContact CD1-CD2 4.46Å; I76-F190 HydrophobicContact CD1-CE1 3.65Å; I76-F190 HydrophobicContact CD1-CG 3.82Å; I76-F190 HydrophobicContact CD1-CZ 4.3Å; I76-F190 HydrophobicContact CG1-CD1 4.48Å; I76-F190 HydrophobicContact CG2-CD1 4.28Å; I76-F190 HydrophobicContact CG2-CD2 3.83Å; I76-F190 HydrophobicContact CG2-CE1 3.84Å; I76-F190 HydrophobicContact CG2-CE2 3.38Å; I76-F190 HydrophobicContact CG2-CG 4.25Å; I76-F190 HydrophobicContact CG2-CZ 3.34Å; L80-F190 HydrophobicContact CD1-CE2 3.6Å; L80-F190 HydrophobicContact CD1-CZ 4.24Å; L107-F190 HydrophobicContact CD2-CE1 3.83Å; L107-F190 HydrophobicContact CG-CE1 4.03Å; A111-F190 HydrophobicContact CB-CE2 3.91Å; A111-F190 HydrophobicContact CB-CZ 3.63Å; Q173-F190 HydrophobicContact CB-CB 3.82Å; Q173-F190 WeakPolarHBondContact O-CB 3.16Å; S188-F190 VanDerWaalsContact C-N 3.33Å; S188-F190 PolarHBondContact O-N 3.34Å; F190-A192 PolarHBondContact O-N 3.41Å; F190-D193 WeakPolarHBondContact O-CB 2.97Å; F190-D193 PolarHBondContact O-N 3Å; F190-D193 VanDerWaalsContact O-N 3.14Å; F190-I194 HydrophobicContact CD1-CD1 4.04Å; F190-I194 HydrophobicContact CD2-CG2 4.32Å; F190-I194 HydrophobicContact CE1-CD1 3.36Å; F190-I194 HydrophobicContact CE1-CG1 4.26Å; F190-I194 HydrophobicContact CE2-CD1 3.99Å; F190-I194 HydrophobicContact CE2-CG2 3.95Å; F190-I194 HydrophobicContact CZ-CD1 3.35Å; F190-I194 HydrophobicContact CZ-CG1 4.31Å; F190-I194 HydrophobicContact CZ-CG2 4.38Å; F190-I194 PolarHBondContact O-N 2.87Å
191L98.8Very high97.9Very high0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-62.1-46.3-168.7-17969.4000113L107 G133 Q173 H176 Y184 S188 D193 I194 N195L107-L191 HydrophobicContact CD1-CD1 4.27Å; L107-L191 HydrophobicContact CD2-CD1 4.28Å; G133-L191 VanDerWaalsContact CA-CD2 3.49Å; Q173-L191 VanDerWaalsContact O-CB 3.31Å; Q173-L191 WeakPolarHBondContact O-CB 3.3Å; Q173-L191 PolarHBondContact O-N 2.89Å; H176-L191 HydrophobicContact CB-CD2 3.87Å; Y184-L191 HydrophobicContact CE2-CB 4.28Å; Y184-L191 HydrophobicContact CE2-CD2 3.97Å; Y184-L191 HydrophobicContact CE2-CG 4.22Å; S188-L191 PolarHBondContact OG-N 3.27Å; L191-D193 PolarHBondContact O-N 3.29Å; L191-I194 HydrophobicContact CD1-CD1 4.48Å; L191-I194 HydrophobicContact CD1-CG1 4.47Å; L191-I194 WeakPolarHBondContact O-CG1 3.47Å; L191-I194 PolarHBondContact O-N 3.27Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.44Å; L191-N195 VanDerWaalsContact O-CB 3.29Å; L191-N195 WeakPolarHBondContact O-CB 3.4Å; L191-N195 PolarHBondContact O-N 2.96Å
192A98.3Very high98Very high1 Ų154 Ų541%0.00826%0.26CS..Hα-helixtrans-59.8-32.7177.500000113.5Y184 S188 F190 Q196 E197Y184-A192 HydrophobicContact CE1-CB 4.5Å; Y184-A192 HydrophobicContact CE2-CB 3.89Å; Y184-A192 WeakPolarHBondContact OH-CA 3.5Å; S188-A192 PolarHBondContact OG-N 3.4Å; F190-A192 PolarHBondContact O-N 3.41Å; A192-Q196 PolarHBondContact O-N 3.43Å; A192-E197 HydrophobicContact CB-CB 4.15Å; A192-E197 HydrophobicContact CB-CG 3.9Å; A192-E197 WeakPolarHBondContact O-CB 3.45Å; A192-E197 WeakPolarHBondContact O-CG 3.37Å; A192-E197 PolarHBondContact O-N 2.57Å
193D98.4Very high98.1Very high58 Ų5853.1 Ų53.131%0.3125%0.254SS..Hα-helixtrans-69.6-55.5174.4165.850.4000110.5K115 F190 L191 N195 Q196K115-D193 VanDerWaalsContact CE-OD2 3.28Å; K115-D193 WeakPolarHBondContact CE-OD2 3.26Å; K115-D193 IonicContact NZ-OD2 2.87Å; K115-D193 PolarHBondContact NZ-OD2 3.45Å; F190-D193 WeakPolarHBondContact O-CB 2.97Å; F190-D193 PolarHBondContact O-N 3Å; F190-D193 VanDerWaalsContact O-N 3.14Å; L191-D193 PolarHBondContact O-N 3.29Å; D193-N195 PolarHBondContact O-N 3.29Å; D193-Q196 PolarHBondContact O-N 3.02Å
194I98.5Very high98.1Very high0 Ų052.8 Ų52.80%025%0.249CC..Hα-helixtrans-69.6-18-177.863.5166.5000113.6L107 R110 A111 Q114 F190 L191 L258L107-I194 HydrophobicContact CD1-CD1 3.69Å; L107-I194 HydrophobicContact CG-CD1 4.16Å; R110-I194 VanDerWaalsContact NH2-CG1 3.33Å; A111-I194 HydrophobicContact CB-CD1 4.15Å; A111-I194 HydrophobicContact CB-CG2 4.32Å; Q114-I194 PolarHBondContact NE2-O 2.93Å; Q114-I194 PolarHBondContact OE1-O 3.34Å; F190-I194 HydrophobicContact CD1-CD1 4.04Å; F190-I194 HydrophobicContact CD2-CG2 4.32Å; F190-I194 HydrophobicContact CE1-CD1 3.36Å; F190-I194 HydrophobicContact CE1-CG1 4.26Å; F190-I194 HydrophobicContact CE2-CD1 3.99Å; F190-I194 HydrophobicContact CE2-CG2 3.95Å; F190-I194 HydrophobicContact CZ-CD1 3.35Å; F190-I194 HydrophobicContact CZ-CG1 4.31Å; F190-I194 HydrophobicContact CZ-CG2 4.38Å; F190-I194 PolarHBondContact O-N 2.87Å; L191-I194 HydrophobicContact CD1-CD1 4.48Å; L191-I194 HydrophobicContact CD1-CG1 4.47Å; L191-I194 WeakPolarHBondContact O-CG1 3.47Å; L191-I194 PolarHBondContact O-N 3.27Å; I194-L258 WeakPolarHBondContact O-CD2 3.29Å
195N98.6Very high98.1Very high0 Ų055 Ų550%026%0.257CS..THydrogen-bonded Turntrans-89.2-0.7170-76.7-8.8000113.3R110 Q131 Q132 L191 D193 E197 L252R110-N195 PolarHBondContact NH2-OD1 2.82Å; Q131-N195 PolarHBondContact O-OD1 2.82Å; Q132-N195 PolarHBondContact NE2-ND2 2.87Å; L191-N195 WeakPolarHBondContact CD1-ND2 3.44Å; L191-N195 VanDerWaalsContact O-CB 3.29Å; L191-N195 WeakPolarHBondContact O-CB 3.4Å; L191-N195 PolarHBondContact O-N 2.96Å; D193-N195 PolarHBondContact O-N 3.29Å; N195-E197 VanDerWaalsContact C-N 3.29Å; N195-E197 HydrophobicContact CB-CG 4.09Å; N195-E197 WeakPolarHBondContact CB-OE1 3.3Å; N195-E197 PolarHBondContact O-N 3.03Å; N195-L252 WeakPolarHBondContact O-CD1 3.27Å
196Q98.2Very high98.1Very high4 Ų455.5 Ų55.52%0.01926%0.262CS..THydrogen-bonded Turntrans5642.7178.4-51.1-90.134.900112A192 D193 E199 N201 R257 L258A192-Q196 PolarHBondContact O-N 3.43Å; D193-Q196 PolarHBondContact O-N 3.02Å; Q196-E199 WeakPolarHBondContact CA-O 3.44Å; Q196-E199 WeakPolarHBondContact CB-O 3.25Å; Q196-E199 PolarHBondContact OE1-O 2.99Å; Q196-N201 VanDerWaalsContact CD-N 3.34Å; Q196-N201 PolarHBondContact NE2-O 3.36Å; Q196-N201 VanDerWaalsContact OE1-CB 3.28Å; Q196-R257 HydrophobicContact CB-CB 4.2Å; Q196-R257 PolarHBondContact O-NH1 3.3Å; Q196-L258 HydrophobicContact CB-CD2 4.32Å; Q196-L258 HydrophobicContact CG-CD2 3.45Å; Q196-L258 VanDerWaalsContact CG-CD2 3.45Å
197E97.5Very high98.2Very high29 Ų2950.2 Ų50.214%0.13624%0.239CC..SBendtrans-67.5-42.6-175.1-66.1-65163.400111.8Y184 R185 A192 N195 R257Y184-E197 HydrophobicContact CE1-CG 3.79Å; Y184-E197 PolarHBondContact OH-OE1 3.27Å; R185-E197 HydrophobicContact CG-CB 3.97Å; R185-E197 IonicContact NE-OE2 3.81Å; A192-E197 HydrophobicContact CB-CB 4.15Å; A192-E197 HydrophobicContact CB-CG 3.9Å; A192-E197 WeakPolarHBondContact O-CB 3.45Å; A192-E197 WeakPolarHBondContact O-CG 3.37Å; A192-E197 PolarHBondContact O-N 2.57Å; N195-E197 VanDerWaalsContact C-N 3.29Å; N195-E197 HydrophobicContact CB-CG 4.09Å; N195-E197 WeakPolarHBondContact CB-OE1 3.3Å; N195-E197 PolarHBondContact O-N 3.03Å; E197-R257 PolarHBondContact O-NH1 3.37Å
198N97.2Very high98.2Very high109 Ų10945.1 Ų45.158%0.58322%0.219SC*.SBendtrans-91.6-40.2-173.4-65.8-49.5000113.1R185R185-N198 PolarHBondContact O-ND2 3.02Å
199E96.5Very high98.2Very high150 Ų15046 Ų4670%0.70122%0.221SC*.  trans-149.9157.7-177.862.3-178.7-177.200110.6Q196Q196-E199 WeakPolarHBondContact CA-O 3.44Å; Q196-E199 WeakPolarHBondContact CB-O 3.25Å; Q196-E199 PolarHBondContact OE1-O 2.99Å
200I97.9Very high98.2Very high65 Ų6548.5 Ų48.533%0.33324%0.237SC..  trans-96.1105.6176.7-59.5175.2000108.8E202 R257I200-E202 PolarHBondContact O-N 3.41Å; I200-R257 HydrophobicContact CD1-CG 4.13Å; I200-R257 HydrophobicContact CG1-CB 4.48Å; I200-R257 HydrophobicContact CG1-CG 4.29Å
201N98.1Very high98.1Very high49 Ų4948.6 Ų48.626%0.26224%0.237SC..  trans-77.3104165.7-175.3-31.6000110.1Q196 I203 Y204 R205Q196-N201 VanDerWaalsContact CD-N 3.34Å; Q196-N201 PolarHBondContact NE2-O 3.36Å; Q196-N201 VanDerWaalsContact OE1-CB 3.28Å; N201-I203 PolarHBondContact O-N 2.9Å; N201-I203 WeakPolarHBondContact OD1-CB 3.48Å; N201-I203 PolarHBondContact OD1-N 3.43Å; N201-Y204 HydrophobicContact CB-CD2 4.12Å; N201-Y204 HydrophobicContact CB-CG 4.12Å; N201-Y204 PolarHBondContact O-N 3.36Å; N201-Y204 PolarHBondContact OD1-N 3.15Å; N201-R205 PolarHBondContact O-N 2.85Å; N201-R205 VanDerWaalsContact O-N 3.15Å
202E98.1Very high98.1Very high90 Ų9051.8 Ų51.842%0.42125%0.252SS..Hα-helixtrans-57.7-32.6-179.1-69.2-61.7164.300113.6I200 R205 E206I200-E202 PolarHBondContact O-N 3.41Å; E202-R205 PolarHBondContact O-N 3.05Å; E202-R205 IonicContact OE1-CZ 3.91Å; E202-R205 VanDerWaalsContact OE1-CZ 3.27Å; E202-R205 IonicContact OE1-NE 3.73Å; E202-R205 IonicContact OE1-NH1 2.72Å; E202-R205 IonicContact OE1-NH2 3.27Å; E202-R205 PolarHBondContact OE1-NH2 3.4Å; E202-R205 IonicContact OE2-CZ 3.6Å; E202-R205 IonicContact OE2-NE 3.46Å; E202-R205 PolarHBondContact OE2-NE 2.87Å; E202-R205 IonicContact OE2-NH2 3.56Å; E202-R205 PolarHBondContact OE2-NH2 3.05Å; E202-E206 WeakPolarHBondContact O-CB 2.99Å; E202-E206 WeakPolarHBondContact O-CG 3.2Å; E202-E206 PolarHBondContact O-N 3.14Å
203I98.2Very high98.1Very high108 Ų10854 Ų5455%0.55426%0.26SS*.Hα-helixtrans-65.7-45179.2-63.3169.7000110.3N201 R205 E206 K207N201-I203 PolarHBondContact O-N 2.9Å; N201-I203 WeakPolarHBondContact OD1-CB 3.48Å; N201-I203 PolarHBondContact OD1-N 3.43Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.03Å; I203-E206 PolarHBondContact O-N 2.98Å; I203-K207 HydrophobicContact CG2-CD 4.09Å; I203-K207 WeakPolarHBondContact O-CB 3.4Å; I203-K207 VanDerWaalsContact O-CG 3.27Å; I203-K207 WeakPolarHBondContact O-CG 3.4Å; I203-K207 PolarHBondContact O-N 3.28Å
204Y98.3Very high98.1Very high38 Ų3851.3 Ų51.315%0.14925%0.246CC..Hα-helixtrans-63-43177.9-715000110.7Q114 K115 N201 K207 M208Q114-Y204 HydrophobicContact CB-CD1 4.28Å; Q114-Y204 HydrophobicContact CB-CD2 4.23Å; Q114-Y204 HydrophobicContact CB-CG 3.95Å; Q114-Y204 WeakPolarHBondContact O-CD1 3.46Å; Q114-Y204 WeakPolarHBondContact O-CE1 3.3Å; K115-Y204 WeakPolarHBondContact CE-OH 3.19Å; K115-Y204 HydrophobicContact CG-CE1 4.3Å; K115-Y204 HydrophobicContact CG-CE2 4.45Å; N201-Y204 HydrophobicContact CB-CD2 4.12Å; N201-Y204 HydrophobicContact CB-CG 4.12Å; N201-Y204 PolarHBondContact O-N 3.36Å; N201-Y204 PolarHBondContact OD1-N 3.15Å; Y204-K207 PolarHBondContact O-N 3.36Å; Y204-M208 PolarHBondContact O-N 2.85Å
205R98.5Very high98.2Very high47 Ų4751.3 Ų51.318%0.17725%0.246CC..Hα-helixtrans-62.3-47.6177.9-172.9170.872170.13.9112.1N201 E202 I203 K207 M208 K209 D256 R257N201-R205 PolarHBondContact O-N 2.85Å; N201-R205 VanDerWaalsContact O-N 3.15Å; E202-R205 PolarHBondContact O-N 3.05Å; E202-R205 IonicContact OE1-CZ 3.91Å; E202-R205 VanDerWaalsContact OE1-CZ 3.27Å; E202-R205 IonicContact OE1-NE 3.73Å; E202-R205 IonicContact OE1-NH1 2.72Å; E202-R205 IonicContact OE1-NH2 3.27Å; E202-R205 PolarHBondContact OE1-NH2 3.4Å; E202-R205 IonicContact OE2-CZ 3.6Å; E202-R205 IonicContact OE2-NE 3.46Å; E202-R205 PolarHBondContact OE2-NE 2.87Å; E202-R205 IonicContact OE2-NH2 3.56Å; E202-R205 PolarHBondContact OE2-NH2 3.05Å; I203-R205 VanDerWaalsContact C-N 3.32Å; I203-R205 PolarHBondContact O-N 3.03Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 2.96Å; R205-M208 PolarHBondContact O-N 3.46Å; R205-K209 WeakPolarHBondContact O-CG 3.42Å; R205-K209 PolarHBondContact O-N 3.15Å; R205-D256 WeakPolarHBondContact CD-O 3.48Å; R205-R257 WeakPolarHBondContact CD-O 3.41Å
206E98.4Very high98.2Very high80 Ų8051.3 Ų51.337%0.37425%0.246SC..Hα-helixtrans-62.8-40.4177.2-71-51.4142.100112.1E202 I203 M208 K209 N210E202-E206 WeakPolarHBondContact O-CB 2.99Å; E202-E206 WeakPolarHBondContact O-CG 3.2Å; E202-E206 PolarHBondContact O-N 3.14Å; I203-E206 PolarHBondContact O-N 2.98Å; E206-M208 PolarHBondContact O-N 3.47Å; E206-K209 VanDerWaalsContact CD-NZ 3.3Å; E206-K209 PolarHBondContact O-N 3.36Å; E206-K209 WeakPolarHBondContact OE1-CE 3.06Å; E206-K209 IonicContact OE1-NZ 3.85Å; E206-K209 PolarHBondContact OE1-NZ 3.02Å; E206-K209 WeakPolarHBondContact OE2-CE 3.33Å; E206-K209 IonicContact OE2-NZ 2.68Å; E206-K209 PolarHBondContact OE2-NZ 3.38Å; E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 2.81Å; E206-N210 PolarHBondContact O-ND2 2.97Å
207K98.6Very high98.2Very high39 Ų3951.1 Ų51.117%0.1725%0.245CC..Hα-helixtrans-61.6-43.4176.9-74.5171.7173.6-167.30112.2V113 Q114 K115 C116 N117 I203 Y204 R205 N210 I211V113-K207 HydrophobicContact CG1-CB 4.47Å; V113-K207 WeakPolarHBondContact O-CB 3.21Å; V113-K207 WeakPolarHBondContact O-CD 3.22Å; Q114-K207 WeakPolarHBondContact O-CD 3.08Å; Q114-K207 PolarHBondContact O-NZ 3.34Å; Q114-K207 VanDerWaalsContact O-NZ 3.17Å; K115-K207 PolarHBondContact O-NZ 3Å; C116-K207 WeakPolarHBondContact O-CE 3.41Å; C116-K207 PolarHBondContact O-NZ 3.05Å; N117-K207 WeakPolarHBondContact OD1-CE 3.11Å; N117-K207 PolarHBondContact OD1-NZ 3.46Å; I203-K207 HydrophobicContact CG2-CD 4.09Å; I203-K207 WeakPolarHBondContact O-CB 3.4Å; I203-K207 VanDerWaalsContact O-CG 3.27Å; I203-K207 WeakPolarHBondContact O-CG 3.4Å; I203-K207 PolarHBondContact O-N 3.28Å; Y204-K207 PolarHBondContact O-N 3.36Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-K207 PolarHBondContact O-N 2.96Å; K207-N210 PolarHBondContact O-N 2.65Å; K207-I211 PolarHBondContact O-N 2.8Å
208M98.7Very high98.3Very high1 Ų150.4 Ų50.41%0.00524%0.242CC..Hα-helixtrans-63.2-43.7174.6-78-61.1-63.100112R110 V113 Q114 Y204 R205 E206 N210 I211 L214 L258 L260R110-M208 HydrophobicContact CG-CE 3.99Å; R110-M208 HydrophobicContact CG-SD 3.95Å; V113-M208 HydrophobicContact CB-SD 3.97Å; V113-M208 HydrophobicContact CG1-CG 4.37Å; V113-M208 HydrophobicContact CG1-SD 3.58Å; V113-M208 VanDerWaalsContact CG1-SD 3.58Å; Q114-M208 HydrophobicContact CG-CG 3.58Å; Q114-M208 HydrophobicContact CG-SD 3.95Å; Y204-M208 PolarHBondContact O-N 2.85Å; R205-M208 PolarHBondContact O-N 3.46Å; E206-M208 PolarHBondContact O-N 3.47Å; M208-N210 PolarHBondContact O-N 3.18Å; M208-I211 HydrophobicContact CE-CD1 4.31Å; M208-I211 VanDerWaalsContact O-CG1 3.26Å; M208-I211 WeakPolarHBondContact O-CG1 3.33Å; M208-I211 PolarHBondContact O-N 3.32Å; M208-L214 HydrophobicContact CE-CD2 4.17Å; M208-L258 WeakPolarHBondContact CB-O 3.46Å; M208-L260 HydrophobicContact CE-CD2 4.26Å
209K98.2Very high98.3Very high33 Ų3345.2 Ų45.214%0.14321%0.214CC..Hα-helixtrans-61.8-30.6174.8-70-176-65.2-175.70112.7R205 E206 I211 E262 R266R205-K209 WeakPolarHBondContact O-CG 3.42Å; R205-K209 PolarHBondContact O-N 3.15Å; E206-K209 VanDerWaalsContact CD-NZ 3.3Å; E206-K209 PolarHBondContact O-N 3.36Å; E206-K209 WeakPolarHBondContact OE1-CE 3.06Å; E206-K209 IonicContact OE1-NZ 3.85Å; E206-K209 PolarHBondContact OE1-NZ 3.02Å; E206-K209 WeakPolarHBondContact OE2-CE 3.33Å; E206-K209 IonicContact OE2-NZ 2.68Å; E206-K209 PolarHBondContact OE2-NZ 3.38Å; K209-I211 VanDerWaalsContact C-N 3.35Å; K209-I211 PolarHBondContact O-N 3.49Å; K209-E262 HydrophobicContact CD-CB 4Å; K209-E262 HydrophobicContact CD-CG 4.05Å; K209-E262 HydrophobicContact CG-CB 4.16Å; K209-E262 HydrophobicContact CG-CG 4.32Å; K209-R266 PolarHBondContact O-NH1 2.69Å
210N97.8Very high98.4Very high118 Ų11839.3 Ų39.363%0.63119%0.189SC*.THydrogen-bonded Turntrans-83.5-2.8-176-73.9-35.5000114.9E206 K207 M208E206-N210 WeakPolarHBondContact O-CB 3.47Å; E206-N210 PolarHBondContact O-N 2.81Å; E206-N210 PolarHBondContact O-ND2 2.97Å; K207-N210 PolarHBondContact O-N 2.65Å; M208-N210 PolarHBondContact O-N 3.18Å
211I98.4Very high98.3Very high1 Ų137.9 Ų37.91%0.00519%0.19CC..SBendtrans-67.8153.6171.575.4-168.4000110.5V113 V121 V124 K207 M208 K209 L214 L263 R266V113-I211 HydrophobicContact CB-CG2 4.49Å; V113-I211 HydrophobicContact CG1-CG2 3.4Å; V113-I211 HydrophobicContact CG2-CG2 4.24Å; V121-I211 HydrophobicContact CB-CB 4.29Å; V121-I211 HydrophobicContact CB-CG2 3.87Å; V121-I211 HydrophobicContact CG1-CB 4.06Å; V121-I211 HydrophobicContact CG1-CG2 3.63Å; V124-I211 HydrophobicContact CG2-CB 4.44Å; V124-I211 HydrophobicContact CG2-CD1 4.36Å; V124-I211 HydrophobicContact CG2-CG2 4.26Å; K207-I211 PolarHBondContact O-N 2.8Å; M208-I211 HydrophobicContact CE-CD1 4.31Å; M208-I211 VanDerWaalsContact O-CG1 3.26Å; M208-I211 WeakPolarHBondContact O-CG1 3.33Å; M208-I211 PolarHBondContact O-N 3.32Å; K209-I211 VanDerWaalsContact C-N 3.35Å; K209-I211 PolarHBondContact O-N 3.49Å; I211-L214 HydrophobicContact CD1-CB 3.87Å; I211-L263 HydrophobicContact CD1-CD1 3.78Å; I211-L263 HydrophobicContact CD1-CD2 4.45Å; I211-L263 HydrophobicContact CG1-CD1 4.18Å; I211-L263 HydrophobicContact CG1-CD2 3.95Å; I211-R266 PolarHBondContact O-NH2 2.8Å
212Q97.9Very high98.3Very high67 Ų6736.2 Ų36.231%0.31318%0.181SC..SBendtrans-65.9-44.7175-178.1-179.1-2400111.3V121 G122 D268V121-Q212 PolarHBondContact O-N 2.71Å; G122-Q212 PolarHBondContact O-N 3.43Å; Q212-D268 WeakPolarHBondContact O-CB 3.31Å
213R98.4Very high98Very high49 Ų4934 Ų3419%0.18517%0.174CC..EExtended strand (participates in β ladder)trans-164.9155.1177.160.8-173.966.8151.8-5.8112.3T123 V124 V215 D268 F294T123-R213 WeakPolarHBondContact CA-O 3.49Å; T123-R213 HydrophobicContact CG2-CG 3.65Å; T123-R213 VanDerWaalsContact OG1-CD 3.29Å; T123-R213 WeakPolarHBondContact OG1-CD 3.43Å; T123-R213 VanDerWaalsContact OG1-CG 3.27Å; T123-R213 WeakPolarHBondContact OG1-CG 3.44Å; V124-R213 PolarHBondContact N-O 2.86Å; R213-V215 HydrophobicContact CG-CG2 4.5Å; R213-D268 CarbonylContact C-O 3.52Å; R213-D268 WeakPolarHBondContact CA-O 3.29Å; R213-D268 HydrophobicContact CB-CB 4.13Å; R213-D268 VanDerWaalsContact CB-O 3.3Å; R213-D268 WeakPolarHBondContact CB-O 3.47Å; R213-F294 PolarHBondContact NH1-O 3.35Å
214L98.9Very high97.8Very high1 Ų130.1 Ų30.11%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-113.6123.8170-176.458.3000109.2V124 M208 I211 L216 F233 L260 L263 D268 L269 H270V124-L214 HydrophobicContact CB-CD1 4.05Å; V124-L214 HydrophobicContact CG1-CD1 3.98Å; V124-L214 CarbonylContact O-C 3.13Å; V124-L214 WeakPolarHBondContact O-CA 3.3Å; M208-L214 HydrophobicContact CE-CD2 4.17Å; I211-L214 HydrophobicContact CD1-CB 3.87Å; L214-L216 HydrophobicContact CD1-CD2 3.95Å; L214-L216 HydrophobicContact CD2-CD1 4.41Å; L214-L216 HydrophobicContact CD2-CD2 4.12Å; L214-L216 HydrophobicContact CD2-CG 4.36Å; L214-L216 HydrophobicContact CG-CD2 3.87Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L214-F233 HydrophobicContact CD2-CE2 4.07Å; L214-L260 HydrophobicContact CD2-CD2 3.64Å; L214-L263 HydrophobicContact CB-CD1 4.42Å; L214-D268 PolarHBondContact N-O 3.34Å; L214-L269 HydrophobicContact CB-CD1 3.88Å; L214-L269 HydrophobicContact CD2-CD1 3.74Å; L214-L269 HydrophobicContact CG-CD1 3.93Å; L214-H270 PolarHBondContact O-N 2.9Å
215V98.9Very high97.7Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-113.8120.1176.1-176.80000108.3T123 V124 V125 S126 R213 H270 I272 I290 F294T123-V215 HydrophobicContact CG2-CG2 3.93Å; V124-V215 PolarHBondContact O-N 3.17Å; V125-V215 CarbonylContact C-O 3.53Å; V125-V215 WeakPolarHBondContact CA-O 3.05Å; V125-V215 HydrophobicContact CB-CB 4.47Å; V125-V215 HydrophobicContact CG1-CB 4.24Å; V125-V215 HydrophobicContact CG1-CG1 4.32Å; V125-V215 HydrophobicContact CG2-CB 4.22Å; V125-V215 HydrophobicContact CG2-CG2 4.48Å; S126-V215 PolarHBondContact N-O 3.17Å; R213-V215 HydrophobicContact CG-CG2 4.5Å; V215-H270 HydrophobicContact CG1-CB 4.45Å; V215-H270 HydrophobicContact CG2-CB 4.24Å; V215-I272 HydrophobicContact CG1-CD1 3.53Å; V215-I272 HydrophobicContact CG1-CG1 4.2Å; V215-I290 HydrophobicContact CG1-CD1 4.35Å; V215-F294 HydrophobicContact CG1-CD2 4.21Å; V215-F294 HydrophobicContact CG1-CE2 4.04Å; V215-F294 HydrophobicContact CG1-CZ 4.41Å; V215-F294 HydrophobicContact CG2-CB 4.23Å; V215-F294 HydrophobicContact CG2-CD1 3.73Å; V215-F294 HydrophobicContact CG2-CD2 3.93Å; V215-F294 HydrophobicContact CG2-CE1 3.97Å; V215-F294 HydrophobicContact CG2-CE2 4.2Å; V215-F294 HydrophobicContact CG2-CG 3.68Å; V215-F294 HydrophobicContact CG2-CZ 4.2Å
216L99Very high97.5Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-113.9116-178.8-56.6173.7000109.2Q131 L214 W232 F233 L269 H270 F271 I272Q131-L216 HydrophobicContact CG-CD2 4.21Å; L214-L216 HydrophobicContact CD1-CD2 3.95Å; L214-L216 HydrophobicContact CD2-CD1 4.41Å; L214-L216 HydrophobicContact CD2-CD2 4.12Å; L214-L216 HydrophobicContact CD2-CG 4.36Å; L214-L216 HydrophobicContact CG-CD2 3.87Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L216-W232 PolarHBondContact O-NE1 3.16Å; L216-F233 HydrophobicContact CD1-CD2 3.59Å; L216-F233 HydrophobicContact CD1-CE2 3.7Å; L216-F233 HydrophobicContact CD2-CE2 4.1Å; L216-L269 HydrophobicContact CD1-CD1 4Å; L216-L269 HydrophobicContact CG-CD1 4.49Å; L216-H270 PolarHBondContact N-O 2.85Å; L216-F271 HydrophobicContact CB-CD1 4.44Å; L216-F271 HydrophobicContact CD1-CD1 4.2Å; L216-F271 HydrophobicContact CD1-CE1 3.79Å; L216-I272 PolarHBondContact O-N 3.09Å
217V98.9Very high97.4Very high0 Ų025.1 Ų25.10%014%0.136CC..EExtended strand (participates in β ladder)trans-97.7124.9173.8-1720000108.9S126 I127 G128 F219 I272 K274 W285 I290S126-V217 PolarHBondContact O-N 2.97Å; I127-V217 HydrophobicContact CB-CB 4.48Å; I127-V217 HydrophobicContact CB-CG2 4.46Å; I127-V217 HydrophobicContact CG1-CG2 4.03Å; I127-V217 HydrophobicContact CG2-CB 4.21Å; I127-V217 HydrophobicContact CG2-CG1 4.4Å; I127-V217 HydrophobicContact CG2-CG2 4.42Å; G128-V217 PolarHBondContact N-O 2.97Å; V217-F219 HydrophobicContact CG1-CE2 4.34Å; V217-F219 HydrophobicContact CG1-CZ 4.32Å; V217-I272 CarbonylContact C-O 3.58Å; V217-I272 VanDerWaalsContact CA-O 3.24Å; V217-I272 WeakPolarHBondContact CA-O 3.4Å; V217-I272 HydrophobicContact CG2-CB 4.29Å; V217-K274 HydrophobicContact CG1-CB 4.18Å; V217-W285 HydrophobicContact CB-CH2 4.47Å; V217-W285 HydrophobicContact CG1-CH2 3.64Å; V217-W285 HydrophobicContact CG1-CZ2 4.09Å; V217-W285 HydrophobicContact CG2-CH2 4.02Å; V217-I290 HydrophobicContact CG2-CD1 3.84Å
218K98.8Very high97.4Very high14 Ų1426.5 Ų26.56%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-112.3137.6172.6179.9175.170.171.60111K228 E231 W232 I272 E273 K274K218-K228 WeakPolarHBondContact CD-O 3.41Å; K218-E231 WeakPolarHBondContact CA-OE2 3.21Å; K218-E231 HydrophobicContact CB-CB 3.93Å; K218-E231 HydrophobicContact CG-CB 4Å; K218-E231 VanDerWaalsContact CG-OE2 3.29Å; K218-E231 WeakPolarHBondContact CG-OE2 3.43Å; K218-W232 HydrophobicContact CB-CD2 3.79Å; K218-W232 VanDerWaalsContact CB-CE2 3.49Å; K218-W232 HydrophobicContact CB-CG 3.85Å; K218-W232 HydrophobicContact CB-CZ2 4.07Å; K218-W232 HydrophobicContact CD-CB 4.36Å; K218-W232 HydrophobicContact CD-CD2 3.86Å; K218-W232 HydrophobicContact CD-CE3 4Å; K218-W232 HydrophobicContact CD-CG 4.02Å; K218-W232 VanDerWaalsContact CE-CD2 3.49Å; K218-W232 VanDerWaalsContact CE-CZ3 3.41Å; K218-W232 HydrophobicContact CG-CD2 4.47Å; K218-I272 PolarHBondContact N-O 2.94Å; K218-E273 IonicContact NZ-OE1 3.93Å; K218-E273 PolarHBondContact NZ-OE1 3.05Å; K218-E273 CarbonylContact O-C 3.25Å; K218-E273 WeakPolarHBondContact O-CA 3.49Å; K218-K274 PolarHBondContact O-N 2.97Å
219F98.7Very high97.4Very high0 Ų029 Ų290%015%0.154CC..EExtended strand (participates in β ladder)trans-92.1127.7174.5-65.3-89.5000110.5I127 V217 G221 D222 E231 K274 D277 L279 F281I127-F219 HydrophobicContact CG2-CE2 3.94Å; I127-F219 HydrophobicContact CG2-CZ 3.86Å; V217-F219 HydrophobicContact CG1-CE2 4.34Å; V217-F219 HydrophobicContact CG1-CZ 4.32Å; F219-G221 VanDerWaalsContact C-N 3.26Å; F219-G221 PolarHBondContact O-N 2.9Å; F219-D222 HydrophobicContact CB-CB 3.98Å; F219-D222 PolarHBondContact O-N 3.12Å; F219-E231 PolarHBondContact N-OE2 3.31Å; F219-K274 VanDerWaalsContact CA-O 3.32Å; F219-K274 WeakPolarHBondContact CA-O 3.13Å; F219-K274 HydrophobicContact CD1-CB 3.91Å; F219-K274 HydrophobicContact CD1-CG 3.82Å; F219-K274 HydrophobicContact CE1-CB 3.9Å; F219-K274 HydrophobicContact CE1-CG 3.61Å; F219-D277 VanDerWaalsContact CD1-O 3.23Å; F219-D277 WeakPolarHBondContact CD1-O 3.41Å; F219-L279 HydrophobicContact CE2-CD2 4.07Å; F219-L279 VanDerWaalsContact CZ-CA 3.47Å; F219-L279 HydrophobicContact CZ-CD2 4.33Å; F219-F281 AromaticContact CE1-CD1 3.95Å; F219-F281 HydrophobicContact CE1-CD1 3.95Å; F219-F281 AromaticContact CZ-CD1 3.65Å; F219-F281 HydrophobicContact CZ-CD1 3.65Å; F219-F281 HydrophobicContact CZ-CE1 4.09Å
220S98Very high97.4Very high26 Ų2627.5 Ų27.518%0.18215%0.147CC..THydrogen-bonded Turntrans-64.7-31.5-173.867.20000112.8K228 K274 D275 G276S220-K228 WeakPolarHBondContact O-CD 3.36Å; S220-K228 PolarHBondContact O-NZ 3.39Å; S220-K274 PolarHBondContact N-O 3.46Å; S220-D275 WeakPolarHBondContact OG-CA 3.33Å; S220-D275 PolarHBondContact OG-OD1 3.39Å; S220-G276 PolarHBondContact OG-N 2.95Å
221G96.5Very high97.4Very high35 Ų3521.9 Ų21.936%0.36112%0.117SC..THydrogen-bonded Turntrans-114.525.3-177.500000113.3F219 T223 G276F219-G221 VanDerWaalsContact C-N 3.26Å; F219-G221 PolarHBondContact O-N 2.9Å; G221-T223 WeakPolarHBondContact O-CG2 3.36Å; G221-T223 PolarHBondContact O-N 3.05Å; G221-G276 CarbonylContact C-O 3.53Å; G221-G276 VanDerWaalsContact CA-O 3.3Å; G221-G276 WeakPolarHBondContact CA-O 3.07Å; G221-G276 PolarHBondContact N-O 3.17Å
222D96.2Very high97.4Very high14 Ų1424.6 Ų24.68%0.07513%0.127CC..  trans-57.7127.5-177.6-152.5-63.5000112.5F219 I224 V225 K228 H278F219-D222 HydrophobicContact CB-CB 3.98Å; F219-D222 PolarHBondContact O-N 3.12Å; D222-I224 WeakPolarHBondContact OD1-CA 3.31Å; D222-I224 PolarHBondContact OD1-N 2.72Å; D222-V225 PolarHBondContact OD1-N 3.41Å; D222-K228 HydrophobicContact CB-CB 3.79Å; D222-H278 WeakPolarHBondContact OD1-CB 3.36Å; D222-H278 IonicContact OD1-CG 3.33Å; D222-H278 IonicContact OD1-ND1 2.69Å; D222-H278 PolarHBondContact OD1-ND1 3.48Å; D222-H278 WeakPolarHBondContact OD2-CA 3.07Å; D222-H278 VanDerWaalsContact OD2-CB 3.26Å; D222-H278 WeakPolarHBondContact OD2-CB 3.48Å; D222-H278 IonicContact OD2-CE1 2.63Å; D222-H278 IonicContact OD2-CG 2.9Å; D222-H278 IonicContact OD2-ND1 3.44Å; D222-H278 PolarHBondContact OD2-ND1 3.2Å
223T93.3Very high97.5Very high43 Ų4321.5 Ų21.526%0.26411%0.113SC..SBendtrans-115.77.2176.670.70000114.2K139 G221 D277K139-T223 VanDerWaalsContact NZ-CB 3.28Å; K139-T223 PolarHBondContact NZ-OG1 3.42Å; G221-T223 WeakPolarHBondContact O-CG2 3.36Å; G221-T223 PolarHBondContact O-N 3.05Å; T223-D277 PolarHBondContact N-OD1 3.41Å; T223-D277 PolarHBondContact OG1-OD1 3.38Å; T223-D277 VanDerWaalsContact OG1-OD1 3.05Å; T223-D277 PolarHBondContact OG1-OD2 3.36Å
224I93.2Very high97.5Very high26 Ų2619.3 Ų19.313%0.13311%0.105CC..SBendtrans-106.1-48.2179.3-58.5-58.6000110.5P138 K139 D222 H278P138-I224 HydrophobicContact CB-CG2 4.43Å; K139-I224 HydrophobicContact CB-CD1 4.09Å; D222-I224 WeakPolarHBondContact OD1-CA 3.31Å; D222-I224 PolarHBondContact OD1-N 2.72Å; I224-H278 HydrophobicContact CB-CB 3.76Å; I224-H278 HydrophobicContact CG1-CB 3.49Å; I224-H278 VanDerWaalsContact CG1-CB 3.49Å
225V96Very high97.5Very high3 Ų319.8 Ų19.82%0.01811%0.107CC..SBendtrans-88.1109.6175.2178.30000108.7P130 I134 D222 P227 K228 E231P130-V225 HydrophobicContact CB-CG1 3.91Å; P130-V225 HydrophobicContact CB-CG2 4.33Å; I134-V225 HydrophobicContact CG2-CG1 4.41Å; D222-V225 PolarHBondContact OD1-N 3.41Å; V225-P227 CarbonylContact O-C 3.43Å; V225-P227 VanDerWaalsContact O-C 3.25Å; V225-K228 VanDerWaalsContact O-CA 3.26Å; V225-K228 WeakPolarHBondContact O-CA 3.5Å; V225-K228 PolarHBondContact O-N 3.47Å; V225-E231 HydrophobicContact CB-CG 4.12Å; V225-E231 HydrophobicContact CG1-CG 3.8Å; V225-E231 HydrophobicContact CG2-CG 4.34Å
226I94.9Very high97.4Very high53 Ų5321.8 Ų21.827%0.27212%0.115SC..SBendtrans-120.2117.5-177.3-60172.2000109.1I134 F135I134-I226 CarbonylContact C-O 3.58Å; I134-I226 WeakPolarHBondContact CA-O 3.4Å; F135-I226 PolarHBondContact N-O 2.83Å
227P97Very high97.3Very high5 Ų525.7 Ų25.73%0.03213%0.134CC..SBendcis-73.8148.4-5.332.4-30.6000111.4V225 E229 S230 F235 Y236 T244V225-P227 CarbonylContact O-C 3.43Å; V225-P227 VanDerWaalsContact O-C 3.25Å; P227-E229 WeakPolarHBondContact CB-OE2 3.15Å; P227-E229 PolarHBondContact O-N 3.32Å; P227-E229 VanDerWaalsContact O-N 3.14Å; P227-S230 WeakPolarHBondContact O-CB 3.28Å; P227-S230 PolarHBondContact O-N 3.18Å; P227-F235 HydrophobicContact CG-CD2 3.65Å; P227-F235 HydrophobicContact CG-CE2 3.83Å; P227-F235 HydrophobicContact CG-CG 4.26Å; P227-Y236 HydrophobicContact CB-CD2 4.36Å; P227-Y236 HydrophobicContact CB-CE1 4.05Å; P227-Y236 HydrophobicContact CB-CE2 3.88Å; P227-Y236 VanDerWaalsContact CD-CE2 3.47Å; P227-Y236 HydrophobicContact CG-CD1 4.48Å; P227-Y236 HydrophobicContact CG-CD2 3.77Å; P227-Y236 HydrophobicContact CG-CE1 4.42Å; P227-Y236 HydrophobicContact CG-CE2 3.72Å; P227-Y236 HydrophobicContact CG-CG 4.18Å; P227-T244 HydrophobicContact CB-CG2 4.18Å
228K97.4Very high97.1Very high68 Ų6831.2 Ų31.230%0.29616%0.163SC..G310 helixtrans-60.9-24.7178.467.1-173.5176.4-169.30112.8K218 S220 D222 V225 S230 E231K218-K228 WeakPolarHBondContact CD-O 3.41Å; S220-K228 WeakPolarHBondContact O-CD 3.36Å; S220-K228 PolarHBondContact O-NZ 3.39Å; D222-K228 HydrophobicContact CB-CB 3.79Å; V225-K228 VanDerWaalsContact O-CA 3.26Å; V225-K228 WeakPolarHBondContact O-CA 3.5Å; V225-K228 PolarHBondContact O-N 3.47Å; K228-S230 PolarHBondContact O-N 2.72Å; K228-S230 VanDerWaalsContact O-N 3.12Å; K228-E231 WeakPolarHBondContact O-CB 3.46Å; K228-E231 WeakPolarHBondContact O-CG 3.33Å; K228-E231 PolarHBondContact O-N 3.26Å
229E98.2Very high96.9Very high54 Ų5433.1 Ų33.125%0.25219%0.187SC..G310 helixtrans-56-25.5173.3-70.869.4-153.400112.1P227 E231 W232 F233 G234 T244P227-E229 WeakPolarHBondContact CB-OE2 3.15Å; P227-E229 PolarHBondContact O-N 3.32Å; P227-E229 VanDerWaalsContact O-N 3.14Å; E229-E231 PolarHBondContact O-N 3Å; E229-E231 VanDerWaalsContact O-N 3.15Å; E229-W232 CarbonylContact O-C 3.56Å; E229-W232 PolarHBondContact O-N 3.48Å; E229-F233 PolarHBondContact O-N 3.01Å; E229-G234 CarbonylContact C-O 3.55Å; E229-G234 WeakPolarHBondContact O-CA 3.49Å; E229-G234 PolarHBondContact O-N 2.9Å; E229-T244 HydrophobicContact CG-CG2 4.18Å
230S98.7Very high96.7Very high0 Ų033.9 Ų33.90%019%0.192CC..G310 helixtrans-55.4-29.9174.5-1750000112.8P130 Q131 Q132 G133 P227 K228 W232 F233 G234P130-S230 VanDerWaalsContact C-OG 3.26Å; P130-S230 WeakPolarHBondContact CA-OG 3.48Å; Q131-S230 WeakPolarHBondContact CA-O 2.96Å; Q131-S230 WeakPolarHBondContact CB-O 3.5Å; Q131-S230 PolarHBondContact N-O 3.14Å; Q131-S230 PolarHBondContact N-OG 3.5Å; Q132-S230 WeakPolarHBondContact CA-OG 3.24Å; Q132-S230 PolarHBondContact N-OG 2.99Å; G133-S230 PolarHBondContact N-OG 3.45Å; G133-S230 VanDerWaalsContact O-CB 3.3Å; G133-S230 WeakPolarHBondContact O-CB 3.5Å; G133-S230 PolarHBondContact O-OG 2.85Å; P227-S230 WeakPolarHBondContact O-CB 3.28Å; P227-S230 PolarHBondContact O-N 3.18Å; K228-S230 PolarHBondContact O-N 2.72Å; K228-S230 VanDerWaalsContact O-N 3.12Å; S230-W232 PolarHBondContact O-N 2.81Å; S230-F233 PolarHBondContact O-N 3.3Å; S230-F233 VanDerWaalsContact O-N 3.13Å; S230-G234 WeakPolarHBondContact CA-O 3.48Å; S230-G234 PolarHBondContact N-O 2.77Å
231E98.8Very high96.5Very high0 Ų035.4 Ų35.40%020%0.202CC..G310 helixtrans-64.5-22.3177.5-56-177.314200112.9G128 G129 K218 F219 V225 K228 E229 H278G128-E231 WeakPolarHBondContact CA-OE1 3.38Å; G129-E231 WeakPolarHBondContact O-CA 3.35Å; K218-E231 WeakPolarHBondContact CA-OE2 3.21Å; K218-E231 HydrophobicContact CB-CB 3.93Å; K218-E231 HydrophobicContact CG-CB 4Å; K218-E231 VanDerWaalsContact CG-OE2 3.29Å; K218-E231 WeakPolarHBondContact CG-OE2 3.43Å; F219-E231 PolarHBondContact N-OE2 3.31Å; V225-E231 HydrophobicContact CB-CG 4.12Å; V225-E231 HydrophobicContact CG1-CG 3.8Å; V225-E231 HydrophobicContact CG2-CG 4.34Å; K228-E231 WeakPolarHBondContact O-CB 3.46Å; K228-E231 WeakPolarHBondContact O-CG 3.33Å; K228-E231 PolarHBondContact O-N 3.26Å; E229-E231 PolarHBondContact O-N 3Å; E229-E231 VanDerWaalsContact O-N 3.15Å; E231-H278 IonicContact OE1-CE1 3.92Å; E231-H278 IonicContact OE1-ND1 2.97Å
232W98.8Very high96.3Very high58 Ų5838.7 Ų38.722%0.2222%0.216CC..G310 helixtrans-115.124.2176.4-79.2-0.7000113.1L216 K218 E229 S230 G234 L247 F271 I272 E273L216-W232 PolarHBondContact O-NE1 3.16Å; K218-W232 HydrophobicContact CB-CD2 3.79Å; K218-W232 VanDerWaalsContact CB-CE2 3.49Å; K218-W232 HydrophobicContact CB-CG 3.85Å; K218-W232 HydrophobicContact CB-CZ2 4.07Å; K218-W232 HydrophobicContact CD-CB 4.36Å; K218-W232 HydrophobicContact CD-CD2 3.86Å; K218-W232 HydrophobicContact CD-CE3 4Å; K218-W232 HydrophobicContact CD-CG 4.02Å; K218-W232 VanDerWaalsContact CE-CD2 3.49Å; K218-W232 VanDerWaalsContact CE-CZ3 3.41Å; K218-W232 HydrophobicContact CG-CD2 4.47Å; E229-W232 CarbonylContact O-C 3.56Å; E229-W232 PolarHBondContact O-N 3.48Å; S230-W232 PolarHBondContact O-N 2.81Å; W232-G234 PolarHBondContact O-N 3.22Å; W232-G234 VanDerWaalsContact O-N 3.15Å; W232-L247 WeakPolarHBondContact O-CB 3.47Å; W232-F271 HydrophobicContact CB-CD1 4.06Å; W232-F271 HydrophobicContact CB-CE1 4.17Å; W232-F271 AromaticContact CD1-CD1 3.74Å; W232-F271 HydrophobicContact CD2-CB 4.15Å; W232-F271 AromaticContact CD2-CD1 3.67Å; W232-F271 HydrophobicContact CD2-CD1 3.67Å; W232-F271 HydrophobicContact CD2-CG 4.32Å; W232-F271 AromaticContact CE2-CD1 3.9Å; W232-F271 HydrophobicContact CE3-CD1 4.25Å; W232-F271 AromaticContact CG-CD1 3.58Å; W232-F271 HydrophobicContact CG-CD1 3.58Å; W232-F271 HydrophobicContact CG-CE1 4.18Å; W232-F271 HydrophobicContact CH2-CB 4.07Å; W232-F271 HydrophobicContact CZ2-CB 3.62Å; W232-F271 HydrophobicContact CZ3-CB 4.49Å; W232-F271 AromaticContact NE1-CD1 3.88Å; W232-I272 VanDerWaalsContact CZ2-C 3.48Å; W232-E273 HydrophobicContact CH2-CB 3.87Å; W232-E273 HydrophobicContact CZ2-CB 3.96Å
233F98.8Very high96.4Very high2 Ų242.3 Ų42.31%0.00924%0.235CC..THydrogen-bonded Turntrans60.712.3-174.7-66.6-95.4000115.5Q131 Q132 L214 L216 E229 S230 L247 L252 L258 L260Q131-F233 HydrophobicContact CB-CD1 3.63Å; Q131-F233 HydrophobicContact CB-CD2 3.81Å; Q131-F233 HydrophobicContact CB-CE1 3.73Å; Q131-F233 HydrophobicContact CB-CE2 3.87Å; Q131-F233 HydrophobicContact CB-CG 3.67Å; Q131-F233 HydrophobicContact CB-CZ 3.85Å; Q131-F233 HydrophobicContact CG-CD2 3.91Å; Q131-F233 HydrophobicContact CG-CE1 4.42Å; Q131-F233 HydrophobicContact CG-CE2 3.74Å; Q131-F233 HydrophobicContact CG-CG 4.3Å; Q131-F233 HydrophobicContact CG-CZ 4.02Å; Q132-F233 HydrophobicContact CG-CB 4.36Å; Q132-F233 WeakPolarHBondContact CG-O 3.32Å; L214-F233 HydrophobicContact CD2-CE2 4.07Å; L216-F233 HydrophobicContact CD1-CD2 3.59Å; L216-F233 HydrophobicContact CD1-CE2 3.7Å; L216-F233 HydrophobicContact CD2-CE2 4.1Å; E229-F233 PolarHBondContact O-N 3.01Å; S230-F233 PolarHBondContact O-N 3.3Å; S230-F233 VanDerWaalsContact O-N 3.13Å; F233-L247 HydrophobicContact CB-CB 4.02Å; F233-L247 HydrophobicContact CB-CD1 3.63Å; F233-L247 HydrophobicContact CB-CD2 4.36Å; F233-L247 HydrophobicContact CB-CG 4.17Å; F233-L247 HydrophobicContact CG-CD1 4.24Å; F233-L252 HydrophobicContact CD1-CD2 3.61Å; F233-L252 HydrophobicContact CE1-CD2 4.18Å; F233-L252 HydrophobicContact CG-CD2 4.42Å; F233-L258 HydrophobicContact CE1-CD1 3.76Å; F233-L258 HydrophobicContact CZ-CD1 4.46Å; F233-L260 HydrophobicContact CD1-CD1 3.88Å; F233-L260 HydrophobicContact CD2-CD1 4Å; F233-L260 HydrophobicContact CE1-CD1 3.76Å; F233-L260 HydrophobicContact CE2-CD1 3.91Å; F233-L260 HydrophobicContact CE2-CD2 4.19Å; F233-L260 HydrophobicContact CG-CD1 3.98Å; F233-L260 HydrophobicContact CZ-CD1 3.78Å; F233-L260 HydrophobicContact CZ-CD2 4.18Å
234G98.6Very high96.6Very high3 Ų342.9 Ų42.93%0.03124%0.239CC..  trans-77.6156.9163.700000110.2E229 S230 W232 T245E229-G234 CarbonylContact C-O 3.55Å; E229-G234 WeakPolarHBondContact O-CA 3.49Å; E229-G234 PolarHBondContact O-N 2.9Å; S230-G234 WeakPolarHBondContact CA-O 3.48Å; S230-G234 PolarHBondContact N-O 2.77Å; W232-G234 PolarHBondContact O-N 3.22Å; W232-G234 VanDerWaalsContact O-N 3.15Å; G234-T245 CarbonylContact C-O 3.5Å; G234-T245 WeakPolarHBondContact CA-O 3.2Å
235F98.3Very high96.8Very high11 Ų1143.4 Ų43.45%0.04824%0.243CC..EExtended strand (participates in β ladder)trans-155.8175.7175.6-153.2-110.2000111.2Q132 F135 H176 P178 P227 T244 T245Q132-F235 HydrophobicContact CB-CB 3.83Å; Q132-F235 HydrophobicContact CB-CD2 3.48Å; Q132-F235 VanDerWaalsContact CB-CD2 3.48Å; Q132-F235 HydrophobicContact CB-CE2 4.3Å; Q132-F235 HydrophobicContact CB-CG 3.87Å; Q132-F235 HydrophobicContact CG-CB 4.15Å; Q132-F235 WeakPolarHBondContact O-CD2 3.25Å; Q132-F235 WeakPolarHBondContact O-CE2 3.15Å; F135-F235 HydrophobicContact CB-CZ 4.12Å; H176-F235 HydrophobicContact CB-CE1 3.79Å; H176-F235 HydrophobicContact CB-CE2 4.25Å; H176-F235 HydrophobicContact CB-CZ 3.52Å; H176-F235 AromaticContact CD2-CE1 3.69Å; H176-F235 AromaticContact CE1-CD1 3.52Å; H176-F235 AromaticContact CE1-CE1 3.77Å; H176-F235 AromaticContact CG-CD1 3.92Å; H176-F235 AromaticContact CG-CE1 3.33Å; H176-F235 AromaticContact CG-CZ 3.59Å; H176-F235 AromaticContact ND1-CD1 3.48Å; H176-F235 WeakPolarHBondContact ND1-CD1 3.43Å; H176-F235 AromaticContact ND1-CE1 3.38Å; H176-F235 WeakPolarHBondContact ND1-CE1 3.5Å; H176-F235 AromaticContact ND1-CG 3.91Å; H176-F235 AromaticContact ND1-CZ 3.7Å; H176-F235 AromaticContact NE2-CD1 3.95Å; H176-F235 AromaticContact NE2-CE1 3.96Å; H176-F235 WeakPolarHBondContact O-CE1 3.48Å; H176-F235 WeakPolarHBondContact O-CZ 3.38Å; P178-F235 HydrophobicContact CB-CE1 4.21Å; P178-F235 HydrophobicContact CG-CE1 4.46Å; P227-F235 HydrophobicContact CG-CD2 3.65Å; P227-F235 HydrophobicContact CG-CE2 3.83Å; P227-F235 HydrophobicContact CG-CG 4.26Å; F235-T244 CarbonylContact O-C 3.47Å; F235-T244 WeakPolarHBondContact O-CA 3Å; F235-T244 WeakPolarHBondContact O-CB 3.5Å; F235-T245 PolarHBondContact N-O 3.05Å; F235-T245 PolarHBondContact O-N 3.43Å
236Y98.1Very high96.9Very high43 Ų4346.4 Ų46.417%0.16926%0.262CS..EExtended strand (participates in β ladder)trans-60.2148171.4-68.3-58000112F135 P178 P227 S240 S241 N243 T244F135-Y236 HydrophobicContact CB-CD2 4.24Å; F135-Y236 HydrophobicContact CB-CE2 4.12Å; F135-Y236 HydrophobicContact CD1-CD2 4.08Å; F135-Y236 AromaticContact CD1-CE2 3.95Å; F135-Y236 HydrophobicContact CD1-CE2 3.95Å; P178-Y236 HydrophobicContact CB-CG 4.48Å; P178-Y236 HydrophobicContact CG-CD2 3.85Å; P178-Y236 HydrophobicContact CG-CG 4.13Å; P227-Y236 HydrophobicContact CB-CD2 4.36Å; P227-Y236 HydrophobicContact CB-CE1 4.05Å; P227-Y236 HydrophobicContact CB-CE2 3.88Å; P227-Y236 VanDerWaalsContact CD-CE2 3.47Å; P227-Y236 HydrophobicContact CG-CD1 4.48Å; P227-Y236 HydrophobicContact CG-CD2 3.77Å; P227-Y236 HydrophobicContact CG-CE1 4.42Å; P227-Y236 HydrophobicContact CG-CE2 3.72Å; P227-Y236 HydrophobicContact CG-CG 4.18Å; Y236-S240 WeakPolarHBondContact CB-O 3.19Å; Y236-S241 WeakPolarHBondContact CE1-O 3.34Å; Y236-N243 CarbonylContact C-O 3.45Å; Y236-N243 WeakPolarHBondContact CA-O 3.32Å; Y236-T244 HydrophobicContact CD1-CG2 3.8Å; Y236-T244 HydrophobicContact CE1-CG2 4.02Å
237Q96.9Very high97.1Very high82 Ų8244 Ų4438%0.38325%0.249SC..PPolyproline II helixtrans-67.7145.6170.2-72.8174.1-4.500110.2G239 S240 N243 T245Q237-G239 PolarHBondContact O-N 3.13Å; Q237-S240 WeakPolarHBondContact O-CA 3.47Å; Q237-S240 WeakPolarHBondContact O-CB 3.16Å; Q237-S240 PolarHBondContact O-N 2.76Å; Q237-N243 HydrophobicContact CB-CB 4.49Å; Q237-N243 HydrophobicContact CG-CB 4.29Å; Q237-N243 PolarHBondContact N-O 3.46Å; Q237-N243 VanDerWaalsContact OE1-CB 3.3Å; Q237-T245 WeakPolarHBondContact CG-OG1 3.47Å
238N94.6Very high97.2Very high116 Ų11647.2 Ų47.262%0.6226%0.264SS*.THydrogen-bonded Turntrans-54.1127.1174.7-176.42.7000110.8E181 S240E181-N238 HydrophobicContact CG-CB 4.05Å; E181-N238 VanDerWaalsContact CG-CG 3.5Å; E181-N238 WeakPolarHBondContact CG-OD1 3.35Å; N238-S240 VanDerWaalsContact C-N 3.32Å
239G94.2Very high97.2Very high54 Ų5449.5 Ų49.556%0.55728%0.279SS*.THydrogen-bonded Turntrans78.38.8-175.600000114.6P178 Q237P178-G239 PolarHBondContact O-N 3.33Å; Q237-G239 PolarHBondContact O-N 3.13Å
240S95.1Very high97.1Very high16 Ų1648 Ų4811%0.11228%0.275CS..  trans-124.7145.2178.7-169.70000111.6P178 Y236 Q237 N238 T242 N243P178-S240 WeakPolarHBondContact CB-O 3.07Å; P178-S240 WeakPolarHBondContact CG-O 3.46Å; Y236-S240 WeakPolarHBondContact CB-O 3.19Å; Q237-S240 WeakPolarHBondContact O-CA 3.47Å; Q237-S240 WeakPolarHBondContact O-CB 3.16Å; Q237-S240 PolarHBondContact O-N 2.76Å; N238-S240 VanDerWaalsContact C-N 3.32Å; S240-T242 PolarHBondContact OG-N 3.25Å; S240-T242 PolarHBondContact OG-OG1 3.22Å; S240-N243 PolarHBondContact OG-N 3.43Å
241S92.3Very high97Very high57 Ų5752.7 Ų52.740%0.39930%0.299SS..SBendtrans-114.213.8169.257.30000112.4Y236Y236-S241 WeakPolarHBondContact CE1-O 3.34Å
242T93.6Very high96.9Very high105 Ų10553.2 Ų53.264%0.64430%0.301SS*.SBendtrans-131.3-42.1-175.860.30000113.1S240S240-T242 PolarHBondContact OG-N 3.25Å; S240-T242 PolarHBondContact OG-OG1 3.22Å
243N97.4Very high96.9Very high90 Ų9052 Ų5248%0.48130%0.297SS..  trans-88129.9-176.9-64.1-12.3000109.3Y236 Q237 S240Y236-N243 CarbonylContact C-O 3.45Å; Y236-N243 WeakPolarHBondContact CA-O 3.32Å; Q237-N243 HydrophobicContact CB-CB 4.49Å; Q237-N243 HydrophobicContact CG-CB 4.29Å; Q237-N243 PolarHBondContact N-O 3.46Å; Q237-N243 VanDerWaalsContact OE1-CB 3.3Å; S240-N243 PolarHBondContact OG-N 3.43Å
244T97.9Very high96.9Very high55 Ų5555.3 Ų55.334%0.33732%0.317SS..EExtended strand (participates in β ladder)trans-107.6150.5179.156.80000111.8P227 E229 F235 Y236P227-T244 HydrophobicContact CB-CG2 4.18Å; E229-T244 HydrophobicContact CG-CG2 4.18Å; F235-T244 CarbonylContact O-C 3.47Å; F235-T244 WeakPolarHBondContact O-CA 3Å; F235-T244 WeakPolarHBondContact O-CB 3.5Å; Y236-T244 HydrophobicContact CD1-CG2 3.8Å; Y236-T244 HydrophobicContact CE1-CG2 4.02Å
245T97.5Very high96.8Very high37 Ų3760 Ų6023%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-107.5140.3169.4-55.70000108.7G234 F235 Q237 D249G234-T245 CarbonylContact C-O 3.5Å; G234-T245 WeakPolarHBondContact CA-O 3.2Å; F235-T245 PolarHBondContact N-O 3.05Å; F235-T245 PolarHBondContact O-N 3.43Å; Q237-T245 WeakPolarHBondContact CG-OG1 3.47Å; T245-D249 HydrophobicContact CG2-CB 3.57Å
246T98.3Very high96.8Very high66 Ų6660.7 Ų60.741%0.40534%0.343SS..  trans-74.3167174.570.40000110.9Q248 D249 S250T246-Q248 VanDerWaalsContact C-N 3.3Å; T246-Q248 PolarHBondContact O-N 2.75Å; T246-Q248 PolarHBondContact OG1-N 2.62Å; T246-D249 PolarHBondContact O-N 3.28Å; T246-D249 VanDerWaalsContact OG1-CG 3.25Å; T246-D249 PolarHBondContact OG1-N 2.99Å; T246-D249 PolarHBondContact OG1-OD2 3.23Å; T246-S250 PolarHBondContact O-N 3.33Å
247L98.5Very high96.8Very high2 Ų260.9 Ų60.91%0.0134%0.343CS..SBendtrans-55.1-49.1170.1170.263.6000110.8W232 F233 D249 S250 L252 Y253 L260 L269 F271W232-L247 WeakPolarHBondContact O-CB 3.47Å; F233-L247 HydrophobicContact CB-CB 4.02Å; F233-L247 HydrophobicContact CB-CD1 3.63Å; F233-L247 HydrophobicContact CB-CD2 4.36Å; F233-L247 HydrophobicContact CB-CG 4.17Å; F233-L247 HydrophobicContact CG-CD1 4.24Å; L247-D249 PolarHBondContact O-N 3.35Å; L247-S250 VanDerWaalsContact O-CB 3.32Å; L247-S250 WeakPolarHBondContact O-CB 3.12Å; L247-S250 PolarHBondContact O-N 3.45Å; L247-S250 PolarHBondContact O-OG 3.2Å; L247-L252 HydrophobicContact CD1-CD2 4.11Å; L247-Y253 HydrophobicContact CD1-CD2 4.19Å; L247-Y253 HydrophobicContact CD1-CG 4.47Å; L247-Y253 HydrophobicContact CD2-CD2 4.06Å; L247-Y253 HydrophobicContact CG-CD2 3.83Å; L247-Y253 HydrophobicContact CG-CG 4.28Å; L247-Y253 WeakPolarHBondContact O-CB 3.32Å; L247-L260 HydrophobicContact CD1-CD1 3.69Å; L247-L260 HydrophobicContact CD2-CD1 4.21Å; L247-L269 HydrophobicContact CD2-CD2 3.87Å; L247-F271 HydrophobicContact CD2-CE1 4.27Å; L247-F271 HydrophobicContact CD2-CZ 3.81Å
248Q98.3Very high96.9Very high73 Ų7357 Ų5734%0.34133%0.325SS..THydrogen-bonded Turntrans-63.3-29.4-172.4-72.274.913.300112.8T246 Y253T246-Q248 VanDerWaalsContact C-N 3.3Å; T246-Q248 PolarHBondContact O-N 2.75Å; T246-Q248 PolarHBondContact OG1-N 2.62Å; Q248-Y253 HydrophobicContact CB-CD1 4.48Å; Q248-Y253 HydrophobicContact CG-CE1 4.36Å; Q248-Y253 HydrophobicContact CG-CE2 4.42Å
249D98Very high97.1Very high116 Ų11651.5 Ų51.562%0.6230%0.296SS*.THydrogen-bonded Turntrans-87.8-3.4177.7-59.7-42.7000113.5T245 T246 L247T245-D249 HydrophobicContact CG2-CB 3.57Å; T246-D249 PolarHBondContact O-N 3.28Å; T246-D249 VanDerWaalsContact OG1-CG 3.25Å; T246-D249 PolarHBondContact OG1-N 2.99Å; T246-D249 PolarHBondContact OG1-OD2 3.23Å; L247-D249 PolarHBondContact O-N 3.35Å
250S97.3Very high97.3Very high22 Ų2249 Ų4915%0.15427%0.269CS..SBendtrans-85157.2-176.674.90000113.3T246 L247 L252 Y253 T254T246-S250 PolarHBondContact O-N 3.33Å; L247-S250 VanDerWaalsContact O-CB 3.32Å; L247-S250 WeakPolarHBondContact O-CB 3.12Å; L247-S250 PolarHBondContact O-N 3.45Å; L247-S250 PolarHBondContact O-OG 3.2Å; S250-L252 PolarHBondContact O-N 2.92Å; S250-L252 WeakPolarHBondContact OG-CB 3.34Å; S250-Y253 PolarHBondContact O-N 2.62Å; S250-Y253 PolarHBondContact OG-N 3.32Å; S250-T254 WeakPolarHBondContact O-CB 3.38Å; S250-T254 WeakPolarHBondContact O-CG2 3.32Å; S250-T254 PolarHBondContact O-N 2.79Å; S250-T254 PolarHBondContact O-OG1 2.9Å
251I95.9Very high97.5Very high99 Ų9951.1 Ų51.151%0.50828%0.277SS..Hα-helixtrans-60.9-37.6170.8-67.4176.6000110.8Y253 T254 E255I251-Y253 PolarHBondContact O-N 3.41Å; I251-T254 WeakPolarHBondContact CA-OG1 3.47Å; I251-T254 PolarHBondContact O-N 3.36Å; I251-T254 PolarHBondContact O-OG1 2.63Å; I251-E255 VanDerWaalsContact CG2-CD 3.5Å; I251-E255 HydrophobicContact CG2-CG 4.04Å; I251-E255 WeakPolarHBondContact CG2-OE2 3.2Å; I251-E255 WeakPolarHBondContact O-CB 3.11Å; I251-E255 PolarHBondContact O-N 3.28Å
252L97.1Very high97.8Very high10 Ų1052.1 Ų52.15%0.05228%0.275CS..Hα-helixtrans-51.6-44.1177.5-167.978.5000112.3N195 F233 L247 S250 D256 R257 L258 L260N195-L252 WeakPolarHBondContact O-CD1 3.27Å; F233-L252 HydrophobicContact CD1-CD2 3.61Å; F233-L252 HydrophobicContact CE1-CD2 4.18Å; F233-L252 HydrophobicContact CG-CD2 4.42Å; L247-L252 HydrophobicContact CD1-CD2 4.11Å; S250-L252 PolarHBondContact O-N 2.92Å; S250-L252 WeakPolarHBondContact OG-CB 3.34Å; L252-D256 WeakPolarHBondContact O-CA 3.49Å; L252-D256 PolarHBondContact O-N 2.95Å; L252-R257 HydrophobicContact CD1-CB 4.21Å; L252-R257 PolarHBondContact O-N 3.35Å; L252-L258 HydrophobicContact CD1-CD1 3.77Å; L252-L258 HydrophobicContact CD1-CG 3.7Å; L252-L258 HydrophobicContact CD2-CD1 3.83Å; L252-L258 HydrophobicContact CG-CD1 4.03Å; L252-L258 HydrophobicContact CG-CG 4.17Å; L252-L260 HydrophobicContact CD2-CD1 4.02Å
253Y98.4Very high98Very high33 Ų3347.1 Ų47.113%0.12924%0.244CC..Hα-helixtrans-84.3-47.4179-175.6-89.9000112.4L247 Q248 S250 I251 E255 D256 K261 D264L247-Y253 HydrophobicContact CD1-CD2 4.19Å; L247-Y253 HydrophobicContact CD1-CG 4.47Å; L247-Y253 HydrophobicContact CD2-CD2 4.06Å; L247-Y253 HydrophobicContact CG-CD2 3.83Å; L247-Y253 HydrophobicContact CG-CG 4.28Å; L247-Y253 WeakPolarHBondContact O-CB 3.32Å; Q248-Y253 HydrophobicContact CB-CD1 4.48Å; Q248-Y253 HydrophobicContact CG-CE1 4.36Å; Q248-Y253 HydrophobicContact CG-CE2 4.42Å; S250-Y253 PolarHBondContact O-N 2.62Å; S250-Y253 PolarHBondContact OG-N 3.32Å; I251-Y253 PolarHBondContact O-N 3.41Å; Y253-E255 VanDerWaalsContact C-N 3.33Å; Y253-E255 PolarHBondContact O-N 3.02Å; Y253-D256 WeakPolarHBondContact O-CA 3.38Å; Y253-D256 PolarHBondContact O-N 3.22Å; Y253-K261 HydrophobicContact CD1-CB 4.35Å; Y253-K261 HydrophobicContact CD1-CD 4.29Å; Y253-K261 HydrophobicContact CD1-CG 4.45Å; Y253-K261 HydrophobicContact CD2-CB 4Å; Y253-K261 HydrophobicContact CE1-CB 4.13Å; Y253-K261 HydrophobicContact CE1-CD 4.04Å; Y253-K261 HydrophobicContact CE1-CG 3.91Å; Y253-K261 HydrophobicContact CE2-CB 3.81Å; Y253-K261 HydrophobicContact CE2-CG 4.31Å; Y253-K261 HydrophobicContact CG-CB 4.27Å; Y253-K261 WeakPolarHBondContact O-CB 3.47Å; Y253-K261 WeakPolarHBondContact O-CD 3.29Å; Y253-D264 HydrophobicContact CE2-CB 3.96Å; Y253-D264 WeakPolarHBondContact CE2-OD2 3.43Å; Y253-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y253-D264 PolarHBondContact OH-OD2 3.41Å
254T98.1Very high98Very high71 Ų7145 Ų4544%0.43623%0.233SC..Hα-helixtrans-62.3-39.3-173.749.50000112.7S250 I251 K261S250-T254 WeakPolarHBondContact O-CB 3.38Å; S250-T254 WeakPolarHBondContact O-CG2 3.32Å; S250-T254 PolarHBondContact O-N 2.79Å; S250-T254 PolarHBondContact O-OG1 2.9Å; I251-T254 WeakPolarHBondContact CA-OG1 3.47Å; I251-T254 PolarHBondContact O-N 3.36Å; I251-T254 PolarHBondContact O-OG1 2.63Å; T254-K261 PolarHBondContact O-NZ 3.31Å
255E98Very high98.1Very high102 Ų10249.4 Ų49.448%0.47725%0.248SC..THydrogen-bonded Turntrans-87.5-2.4172.6-63.3-177.217400113.6I251 Y253 R257I251-E255 VanDerWaalsContact CG2-CD 3.5Å; I251-E255 HydrophobicContact CG2-CG 4.04Å; I251-E255 WeakPolarHBondContact CG2-OE2 3.2Å; I251-E255 WeakPolarHBondContact O-CB 3.11Å; I251-E255 PolarHBondContact O-N 3.28Å; Y253-E255 VanDerWaalsContact C-N 3.33Å; Y253-E255 PolarHBondContact O-N 3.02Å; E255-R257 VanDerWaalsContact C-N 3.33Å; E255-R257 HydrophobicContact CB-CG 3.99Å; E255-R257 PolarHBondContact O-N 3.44Å; E255-R257 IonicContact OE2-CZ 2.62Å; E255-R257 VanDerWaalsContact OE2-CZ 3.26Å; E255-R257 IonicContact OE2-NE 3.41Å; E255-R257 PolarHBondContact OE2-NE 2.97Å; E255-R257 IonicContact OE2-NH2 3.07Å; E255-R257 PolarHBondContact OE2-NH2 2.85Å
256D98.1Very high98.1Very high26 Ų2652.6 Ų52.614%0.13926%0.255CS..THydrogen-bonded Turntrans5146.3-177.6-163.232.1000113.8R205 L252 Y253 L258 G259 L260 K261R205-D256 WeakPolarHBondContact CD-O 3.48Å; L252-D256 WeakPolarHBondContact O-CA 3.49Å; L252-D256 PolarHBondContact O-N 2.95Å; Y253-D256 WeakPolarHBondContact O-CA 3.38Å; Y253-D256 PolarHBondContact O-N 3.22Å; D256-L258 VanDerWaalsContact C-N 3.26Å; D256-L258 PolarHBondContact O-N 3.33Å; D256-G259 PolarHBondContact O-N 3.2Å; D256-G259 WeakPolarHBondContact OD1-CA 3.47Å; D256-G259 PolarHBondContact OD1-N 3.01Å; D256-L260 PolarHBondContact OD1-N 2.89Å; D256-K261 HydrophobicContact CB-CB 3.96Å; D256-K261 HydrophobicContact CB-CD 4.33Å; D256-K261 WeakPolarHBondContact OD1-CB 3.48Å; D256-K261 PolarHBondContact OD1-N 3.27Å
257R98.4Very high98.1Very high47 Ų4751.5 Ų51.518%0.17726%0.258CS..SBendtrans-63.2-32.8-172.8-63.4-169.2170-160.52.6113.2Q196 E197 I200 R205 L252 E255Q196-R257 HydrophobicContact CB-CB 4.2Å; Q196-R257 PolarHBondContact O-NH1 3.3Å; E197-R257 PolarHBondContact O-NH1 3.37Å; I200-R257 HydrophobicContact CD1-CG 4.13Å; I200-R257 HydrophobicContact CG1-CB 4.48Å; I200-R257 HydrophobicContact CG1-CG 4.29Å; R205-R257 WeakPolarHBondContact CD-O 3.41Å; L252-R257 HydrophobicContact CD1-CB 4.21Å; L252-R257 PolarHBondContact O-N 3.35Å; E255-R257 VanDerWaalsContact C-N 3.33Å; E255-R257 HydrophobicContact CB-CG 3.99Å; E255-R257 PolarHBondContact O-N 3.44Å; E255-R257 IonicContact OE2-CZ 2.62Å; E255-R257 VanDerWaalsContact OE2-CZ 3.26Å; E255-R257 IonicContact OE2-NE 3.41Å; E255-R257 PolarHBondContact OE2-NE 2.97Å; E255-R257 IonicContact OE2-NH2 3.07Å; E255-R257 PolarHBondContact OE2-NH2 2.85Å
258L98.3Very high98.1Very high1 Ų153 Ų531%0.00527%0.266CS..SBendtrans-102.2-10.2178.6-64-178.3000114.2I194 Q196 M208 F233 L252 D256 L260I194-L258 WeakPolarHBondContact O-CD2 3.29Å; Q196-L258 HydrophobicContact CB-CD2 4.32Å; Q196-L258 HydrophobicContact CG-CD2 3.45Å; Q196-L258 VanDerWaalsContact CG-CD2 3.45Å; M208-L258 WeakPolarHBondContact CB-O 3.46Å; F233-L258 HydrophobicContact CE1-CD1 3.76Å; F233-L258 HydrophobicContact CZ-CD1 4.46Å; L252-L258 HydrophobicContact CD1-CD1 3.77Å; L252-L258 HydrophobicContact CD1-CG 3.7Å; L252-L258 HydrophobicContact CD2-CD1 3.83Å; L252-L258 HydrophobicContact CG-CD1 4.03Å; L252-L258 HydrophobicContact CG-CG 4.17Å; D256-L258 VanDerWaalsContact C-N 3.26Å; D256-L258 PolarHBondContact O-N 3.33Å; L258-L260 HydrophobicContact CB-CD1 4.36Å; L258-L260 HydrophobicContact CB-CG 3.99Å; L258-L260 HydrophobicContact CD1-CD1 4.11Å
259G98.3Very high98.1Very high0 Ų050 Ų500%025%0.252CS..SBendtrans87.97.8-170.400000114.5D256 K261 E262 L263D256-G259 PolarHBondContact O-N 3.2Å; D256-G259 WeakPolarHBondContact OD1-CA 3.47Å; D256-G259 PolarHBondContact OD1-N 3.01Å; G259-K261 VanDerWaalsContact C-N 3.35Å; G259-E262 PolarHBondContact O-N 2.99Å; G259-L263 WeakPolarHBondContact O-CG 3.39Å; G259-L263 PolarHBondContact O-N 2.87Å
260L98.7Very high98.2Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-66.5-34.3179.9-64.9177000112.6M208 L214 F233 L247 L252 D256 L258 E262 L263 D264 L269M208-L260 HydrophobicContact CE-CD2 4.26Å; L214-L260 HydrophobicContact CD2-CD2 3.64Å; F233-L260 HydrophobicContact CD1-CD1 3.88Å; F233-L260 HydrophobicContact CD2-CD1 4Å; F233-L260 HydrophobicContact CE1-CD1 3.76Å; F233-L260 HydrophobicContact CE2-CD1 3.91Å; F233-L260 HydrophobicContact CE2-CD2 4.19Å; F233-L260 HydrophobicContact CG-CD1 3.98Å; F233-L260 HydrophobicContact CZ-CD1 3.78Å; F233-L260 HydrophobicContact CZ-CD2 4.18Å; L247-L260 HydrophobicContact CD1-CD1 3.69Å; L247-L260 HydrophobicContact CD2-CD1 4.21Å; L252-L260 HydrophobicContact CD2-CD1 4.02Å; D256-L260 PolarHBondContact OD1-N 2.89Å; L258-L260 HydrophobicContact CB-CD1 4.36Å; L258-L260 HydrophobicContact CB-CG 3.99Å; L258-L260 HydrophobicContact CD1-CD1 4.11Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-L263 HydrophobicContact CD2-CD1 4.34Å; L260-L263 PolarHBondContact O-N 3.22Å; L260-D264 VanDerWaalsContact O-CB 3.3Å; L260-D264 WeakPolarHBondContact O-CB 3.45Å; L260-D264 PolarHBondContact O-N 2.87Å; L260-L269 HydrophobicContact CB-CD2 4.5Å
261K98.6Very high98.2Very high61 Ų6149 Ų4927%0.26524%0.24SC..Hα-helixtrans-70.1-34.4177.4175.9174.6175.1-176.90111.1Y253 T254 D256 G259 K265Y253-K261 HydrophobicContact CD1-CB 4.35Å; Y253-K261 HydrophobicContact CD1-CD 4.29Å; Y253-K261 HydrophobicContact CD1-CG 4.45Å; Y253-K261 HydrophobicContact CD2-CB 4Å; Y253-K261 HydrophobicContact CE1-CB 4.13Å; Y253-K261 HydrophobicContact CE1-CD 4.04Å; Y253-K261 HydrophobicContact CE1-CG 3.91Å; Y253-K261 HydrophobicContact CE2-CB 3.81Å; Y253-K261 HydrophobicContact CE2-CG 4.31Å; Y253-K261 HydrophobicContact CG-CB 4.27Å; Y253-K261 WeakPolarHBondContact O-CB 3.47Å; Y253-K261 WeakPolarHBondContact O-CD 3.29Å; T254-K261 PolarHBondContact O-NZ 3.31Å; D256-K261 HydrophobicContact CB-CB 3.96Å; D256-K261 HydrophobicContact CB-CD 4.33Å; D256-K261 WeakPolarHBondContact OD1-CB 3.48Å; D256-K261 PolarHBondContact OD1-N 3.27Å; G259-K261 VanDerWaalsContact C-N 3.35Å; K261-K265 HydrophobicContact CG-CD 4.47Å; K261-K265 WeakPolarHBondContact O-CB 3.19Å; K261-K265 VanDerWaalsContact O-CG 3.25Å; K261-K265 WeakPolarHBondContact O-CG 3.36Å; K261-K265 PolarHBondContact O-N 2.97Å
262E98.4Very high98.4Very high79 Ų7945.6 Ų45.637%0.36922%0.222SC..Hα-helixtrans-67.1-45.3172.2-17462-160.500111.8K209 G259 L260 D264 K265 R266K209-E262 HydrophobicContact CD-CB 4Å; K209-E262 HydrophobicContact CD-CG 4.05Å; K209-E262 HydrophobicContact CG-CB 4.16Å; K209-E262 HydrophobicContact CG-CG 4.32Å; G259-E262 PolarHBondContact O-N 2.99Å; L260-E262 VanDerWaalsContact C-N 3.33Å; E262-D264 VanDerWaalsContact C-N 3.32Å; E262-D264 PolarHBondContact O-N 3.28Å; E262-K265 PolarHBondContact O-N 3.28Å; E262-R266 WeakPolarHBondContact O-CG 3.41Å; E262-R266 PolarHBondContact O-N 3.04Å
263L98.4Very high98.4Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-59.5-42.1174.7-71.6173000112.2I211 L214 G259 L260 R266 G267 D268 L269I211-L263 HydrophobicContact CD1-CD1 3.78Å; I211-L263 HydrophobicContact CD1-CD2 4.45Å; I211-L263 HydrophobicContact CG1-CD1 4.18Å; I211-L263 HydrophobicContact CG1-CD2 3.95Å; L214-L263 HydrophobicContact CB-CD1 4.42Å; G259-L263 WeakPolarHBondContact O-CG 3.39Å; G259-L263 PolarHBondContact O-N 2.87Å; L260-L263 HydrophobicContact CD2-CD1 4.34Å; L260-L263 PolarHBondContact O-N 3.22Å; L263-R266 PolarHBondContact O-N 2.99Å; L263-G267 PolarHBondContact O-N 2.8Å; L263-D268 HydrophobicContact CD2-CB 4.28Å; L263-D268 PolarHBondContact O-N 3.24Å; L263-L269 HydrophobicContact CB-CB 4.24Å; L263-L269 PolarHBondContact O-N 3.18Å
264D98.6Very high98.5Very high46 Ų4651 Ų5125%0.24625%0.248CC..Hα-helixtrans-63.3-47.5177.4-168.917.5000111.9Y253 L260 E262 R266 G267 L269Y253-D264 HydrophobicContact CE2-CB 3.96Å; Y253-D264 WeakPolarHBondContact CE2-OD2 3.43Å; Y253-D264 VanDerWaalsContact CZ-OD2 3.31Å; Y253-D264 PolarHBondContact OH-OD2 3.41Å; L260-D264 VanDerWaalsContact O-CB 3.3Å; L260-D264 WeakPolarHBondContact O-CB 3.45Å; L260-D264 PolarHBondContact O-N 2.87Å; E262-D264 VanDerWaalsContact C-N 3.32Å; E262-D264 PolarHBondContact O-N 3.28Å; D264-R266 PolarHBondContact O-N 3.14Å; D264-G267 WeakPolarHBondContact O-CA 3.45Å; D264-G267 PolarHBondContact O-N 3.5Å; D264-L269 HydrophobicContact CB-CB 4.11Å; D264-L269 HydrophobicContact CB-CD2 3.92Å
265K98.4Very high98.5Very high147 Ų14753.6 Ų53.664%0.63926%0.259SS*.Hα-helixtrans-60.6-31.9175.8-76173.1178.5179.80113.6K261 E262 G267K261-K265 HydrophobicContact CG-CD 4.47Å; K261-K265 WeakPolarHBondContact O-CB 3.19Å; K261-K265 VanDerWaalsContact O-CG 3.25Å; K261-K265 WeakPolarHBondContact O-CG 3.36Å; K261-K265 PolarHBondContact O-N 2.97Å; E262-K265 PolarHBondContact O-N 3.28Å; K265-G267 VanDerWaalsContact C-N 3.25Å
266R97.9Very high98.4Very high103 Ų10349.8 Ų49.839%0.38925%0.247SC..Hα-helixtrans-74.2-14.7173.9-77.2169.337.6-175.8-16.1113.5K209 I211 E262 L263 D264 D268K209-R266 PolarHBondContact O-NH1 2.69Å; I211-R266 PolarHBondContact O-NH2 2.8Å; E262-R266 WeakPolarHBondContact O-CG 3.41Å; E262-R266 PolarHBondContact O-N 3.04Å; L263-R266 PolarHBondContact O-N 2.99Å; D264-R266 PolarHBondContact O-N 3.14Å; R266-D268 HydrophobicContact CB-CB 4.38Å; R266-D268 IonicContact CZ-OD2 3.26Å; R266-D268 IonicContact NE-OD2 2.81Å; R266-D268 PolarHBondContact NE-OD2 3.44Å; R266-D268 IonicContact NH2-OD2 2.69Å; R266-D268 PolarHBondContact NH2-OD2 3.17Å
267G98.4Very high98.3Very high44 Ų4450.8 Ų50.845%0.45425%0.253SS..THydrogen-bonded Turntrans79.218.4-172.800000113.8L263 D264 K265 H270L263-G267 PolarHBondContact O-N 2.8Å; D264-G267 WeakPolarHBondContact O-CA 3.45Å; D264-G267 PolarHBondContact O-N 3.5Å; K265-G267 VanDerWaalsContact C-N 3.25Å; G267-H270 PolarHBondContact O-CE1 3.1Å; G267-H270 PolarHBondContact O-NE2 2.75Å
268D98.6Very high98.2Very high33 Ų3349.6 Ų49.618%0.17625%0.249CC..  trans-104.24.5-176.2-71.4-40.4000112.8Q212 R213 L214 L263 R266Q212-D268 WeakPolarHBondContact O-CB 3.31Å; R213-D268 CarbonylContact C-O 3.52Å; R213-D268 WeakPolarHBondContact CA-O 3.29Å; R213-D268 HydrophobicContact CB-CB 4.13Å; R213-D268 VanDerWaalsContact CB-O 3.3Å; R213-D268 WeakPolarHBondContact CB-O 3.47Å; L214-D268 PolarHBondContact N-O 3.34Å; L263-D268 HydrophobicContact CD2-CB 4.28Å; L263-D268 PolarHBondContact O-N 3.24Å; R266-D268 HydrophobicContact CB-CB 4.38Å; R266-D268 IonicContact CZ-OD2 3.26Å; R266-D268 IonicContact NE-OD2 2.81Å; R266-D268 PolarHBondContact NE-OD2 3.44Å; R266-D268 IonicContact NH2-OD2 2.69Å; R266-D268 PolarHBondContact NH2-OD2 3.17Å
269L98.8Very high98.1Very high10 Ų1052.2 Ų52.25%0.05226%0.263CS..EExtended strand (participates in β ladder)trans-103.2113.8169.2-176.159.8000109.6L214 L216 L247 L260 L263 D264 F271L214-L269 HydrophobicContact CB-CD1 3.88Å; L214-L269 HydrophobicContact CD2-CD1 3.74Å; L214-L269 HydrophobicContact CG-CD1 3.93Å; L216-L269 HydrophobicContact CD1-CD1 4Å; L216-L269 HydrophobicContact CG-CD1 4.49Å; L247-L269 HydrophobicContact CD2-CD2 3.87Å; L260-L269 HydrophobicContact CB-CD2 4.5Å; L263-L269 HydrophobicContact CB-CB 4.24Å; L263-L269 PolarHBondContact O-N 3.18Å; D264-L269 HydrophobicContact CB-CB 4.11Å; D264-L269 HydrophobicContact CB-CD2 3.92Å; L269-F271 HydrophobicContact CD1-CZ 4.32Å; L269-F271 HydrophobicContact CD2-CE2 3.85Å; L269-F271 HydrophobicContact CD2-CZ 3.53Å; L269-F271 HydrophobicContact CG-CE2 3.74Å; L269-F271 HydrophobicContact CG-CZ 3.69Å
270H98.8Very high98Very high53 Ų5357.8 Ų57.825%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-116.4129.7-175-56.3-78.8000111.6L214 V215 L216 G267 F294L214-H270 PolarHBondContact O-N 2.9Å; V215-H270 HydrophobicContact CG1-CB 4.45Å; V215-H270 HydrophobicContact CG2-CB 4.24Å; L216-H270 PolarHBondContact N-O 2.85Å; G267-H270 PolarHBondContact O-CE1 3.1Å; G267-H270 PolarHBondContact O-NE2 2.75Å; H270-F294 HydrophobicContact CB-CE1 4.21Å; H270-F294 HydrophobicContact CB-CZ 4.17Å; H270-F294 AromaticContact CD2-CE1 3.61Å; H270-F294 AromaticContact CG-CE1 3.65Å; H270-F294 AromaticContact ND1-CE1 3.91Å; H270-F294 AromaticContact NE2-CE1 3.82Å
271F98.8Very high98Very high63 Ų6359.9 Ų59.928%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-108.4121176.6-59.9-81.1000109.4L216 W232 L247 L269L216-F271 HydrophobicContact CB-CD1 4.44Å; L216-F271 HydrophobicContact CD1-CD1 4.2Å; L216-F271 HydrophobicContact CD1-CE1 3.79Å; W232-F271 HydrophobicContact CB-CD1 4.06Å; W232-F271 HydrophobicContact CB-CE1 4.17Å; W232-F271 AromaticContact CD1-CD1 3.74Å; W232-F271 HydrophobicContact CD2-CB 4.15Å; W232-F271 AromaticContact CD2-CD1 3.67Å; W232-F271 HydrophobicContact CD2-CD1 3.67Å; W232-F271 HydrophobicContact CD2-CG 4.32Å; W232-F271 AromaticContact CE2-CD1 3.9Å; W232-F271 HydrophobicContact CE3-CD1 4.25Å; W232-F271 AromaticContact CG-CD1 3.58Å; W232-F271 HydrophobicContact CG-CD1 3.58Å; W232-F271 HydrophobicContact CG-CE1 4.18Å; W232-F271 HydrophobicContact CH2-CB 4.07Å; W232-F271 HydrophobicContact CZ2-CB 3.62Å; W232-F271 HydrophobicContact CZ3-CB 4.49Å; W232-F271 AromaticContact NE1-CD1 3.88Å; L247-F271 HydrophobicContact CD2-CE1 4.27Å; L247-F271 HydrophobicContact CD2-CZ 3.81Å; L269-F271 HydrophobicContact CD1-CZ 4.32Å; L269-F271 HydrophobicContact CD2-CE2 3.85Å; L269-F271 HydrophobicContact CD2-CZ 3.53Å; L269-F271 HydrophobicContact CG-CE2 3.74Å; L269-F271 HydrophobicContact CG-CZ 3.69Å
272I98.8Very high97.9Very high28 Ų2861.5 Ų61.514%0.14431%0.309CS..EExtended strand (participates in β ladder)trans-119116.6177.5-57176.3000108.7V215 L216 V217 K218 W232 W285 I290 F294V215-I272 HydrophobicContact CG1-CD1 3.53Å; V215-I272 HydrophobicContact CG1-CG1 4.2Å; L216-I272 PolarHBondContact O-N 3.09Å; V217-I272 CarbonylContact C-O 3.58Å; V217-I272 VanDerWaalsContact CA-O 3.24Å; V217-I272 WeakPolarHBondContact CA-O 3.4Å; V217-I272 HydrophobicContact CG2-CB 4.29Å; K218-I272 PolarHBondContact N-O 2.94Å; W232-I272 VanDerWaalsContact CZ2-C 3.48Å; I272-W285 HydrophobicContact CG2-CZ2 3.91Å; I272-I290 HydrophobicContact CD1-CD1 4Å; I272-F294 HydrophobicContact CD1-CE2 3.64Å; I272-F294 HydrophobicContact CD1-CZ 4.22Å
273E98.6Very high97.9Very high113 Ų11359.4 Ų59.453%0.52830%0.302SS..EExtended strand (participates in β ladder)trans-91.1132.5172.5-169.3167.4-105.200109.2K218 W232K218-E273 IonicContact NZ-OE1 3.93Å; K218-E273 PolarHBondContact NZ-OE1 3.05Å; K218-E273 CarbonylContact O-C 3.25Å; K218-E273 WeakPolarHBondContact O-CA 3.49Å; W232-E273 HydrophobicContact CH2-CB 3.87Å; W232-E273 HydrophobicContact CZ2-CB 3.96Å
274K98.6Very high97.9Very high45 Ų4564.9 Ų64.920%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-116.5125.6173.6177.256.9172.674.90109.4V217 K218 F219 S220 H280 W285V217-K274 HydrophobicContact CG1-CB 4.18Å; K218-K274 PolarHBondContact O-N 2.97Å; F219-K274 VanDerWaalsContact CA-O 3.32Å; F219-K274 WeakPolarHBondContact CA-O 3.13Å; F219-K274 HydrophobicContact CD1-CB 3.91Å; F219-K274 HydrophobicContact CD1-CG 3.82Å; F219-K274 HydrophobicContact CE1-CB 3.9Å; F219-K274 HydrophobicContact CE1-CG 3.61Å; S220-K274 PolarHBondContact N-O 3.46Å; K274-H280 PolarHBondContact NZ-O 2.84Å; K274-W285 HydrophobicContact CB-CZ2 4.03Å; K274-W285 HydrophobicContact CD-CD2 4.26Å; K274-W285 HydrophobicContact CD-CG 4.39Å; K274-W285 HydrophobicContact CD-CZ2 4.22Å; K274-W285 HydrophobicContact CG-CZ2 4.27Å
275D98.3Very high97.9Very high125 Ų12564.2 Ų64.267%0.66833%0.325SS*.SBendtrans-68.5134.4172.9-169.649.8000111.7S220S220-D275 WeakPolarHBondContact OG-CA 3.33Å; S220-D275 PolarHBondContact OG-OD1 3.39Å
276G97.5Very high97.9Very high22 Ų2257.2 Ų57.223%0.22730%0.295CS..SBendtrans127.8179.9-178.300000113.8S220 G221S220-G276 PolarHBondContact OG-N 2.95Å; G221-G276 CarbonylContact C-O 3.53Å; G221-G276 VanDerWaalsContact CA-O 3.3Å; G221-G276 WeakPolarHBondContact CA-O 3.07Å; G221-G276 PolarHBondContact N-O 3.17Å
277D95.9Very high98Very high47 Ų4754.1 Ų54.125%0.25129%0.286SS..SBendtrans-81.4177.4173.3-154.4-15.4000110.7F219 T223 L279 H280F219-D277 VanDerWaalsContact CD1-O 3.23Å; F219-D277 WeakPolarHBondContact CD1-O 3.41Å; T223-D277 PolarHBondContact N-OD1 3.41Å; T223-D277 PolarHBondContact OG1-OD1 3.38Å; T223-D277 VanDerWaalsContact OG1-OD1 3.05Å; T223-D277 PolarHBondContact OG1-OD2 3.36Å; D277-L279 PolarHBondContact O-N 3.02Å; D277-H280 VanDerWaalsContact O-CB 3.25Å; D277-H280 WeakPolarHBondContact O-CB 3.18Å; D277-H280 PolarHBondContact O-N 3.05Å
278H96Very high98Very high22 Ų2257.2 Ų57.210%0.10229%0.288CS..THydrogen-bonded Turntrans-49.3123.3-175.5-165.263.9000113S103 G128 D222 I224 E231 H280S103-H278 VanDerWaalsContact CB-NE2 3.27Å; S103-H278 WeakPolarHBondContact CB-NE2 3.46Å; S103-H278 PolarHBondContact OG-CE1 2.87Å; S103-H278 PolarHBondContact OG-NE2 2.97Å; G128-H278 PolarHBondContact O-CE1 3.27Å; G128-H278 VanDerWaalsContact O-CE1 3.26Å; D222-H278 WeakPolarHBondContact OD1-CB 3.36Å; D222-H278 IonicContact OD1-CG 3.33Å; D222-H278 IonicContact OD1-ND1 2.69Å; D222-H278 PolarHBondContact OD1-ND1 3.48Å; D222-H278 WeakPolarHBondContact OD2-CA 3.07Å; D222-H278 VanDerWaalsContact OD2-CB 3.26Å; D222-H278 WeakPolarHBondContact OD2-CB 3.48Å; D222-H278 IonicContact OD2-CE1 2.63Å; D222-H278 IonicContact OD2-CG 2.9Å; D222-H278 IonicContact OD2-ND1 3.44Å; D222-H278 PolarHBondContact OD2-ND1 3.2Å; I224-H278 HydrophobicContact CB-CB 3.76Å; I224-H278 HydrophobicContact CG1-CB 3.49Å; I224-H278 VanDerWaalsContact CG1-CB 3.49Å; E231-H278 IonicContact OE1-CE1 3.92Å; E231-H278 IonicContact OE1-ND1 2.97Å; H278-H280 PolarHBondContact O-CD2 2.69Å; H278-H280 PolarHBondContact O-N 2.81Å; H278-H280 VanDerWaalsContact O-N 3.09Å
279L96.6Very high98Very high56 Ų5659.6 Ų59.629%0.29330%0.297SS..THydrogen-bonded Turntrans57.717.8-179.3-51.2-179000115.2I102 I127 F219 D277 F281I102-L279 HydrophobicContact CG2-CD1 3.61Å; I102-L279 HydrophobicContact CG2-CD2 3.73Å; I102-L279 HydrophobicContact CG2-CG 4.32Å; I127-L279 HydrophobicContact CG2-CD2 4.06Å; I127-L279 WeakPolarHBondContact O-CD2 3.41Å; F219-L279 HydrophobicContact CE2-CD2 4.07Å; F219-L279 VanDerWaalsContact CZ-CA 3.47Å; F219-L279 HydrophobicContact CZ-CD2 4.33Å; D277-L279 PolarHBondContact O-N 3.02Å; L279-F281 VanDerWaalsContact C-N 3.3Å; L279-F281 HydrophobicContact CB-CE1 4.06Å; L279-F281 HydrophobicContact CD2-CE1 4.12Å; L279-F281 VanDerWaalsContact O-CD1 3.24Å; L279-F281 WeakPolarHBondContact O-CD1 3.33Å; L279-F281 PolarHBondContact O-N 2.89Å
280H96.1Very high98Very high117 Ų11759.1 Ų59.154%0.54229%0.294SS..  trans-76.980.1174.3-74.3-164.6000111.4K274 D277 H278K274-H280 PolarHBondContact NZ-O 2.84Å; D277-H280 VanDerWaalsContact O-CB 3.25Å; D277-H280 WeakPolarHBondContact O-CB 3.18Å; D277-H280 PolarHBondContact O-N 3.05Å; H278-H280 PolarHBondContact O-CD2 2.69Å; H278-H280 PolarHBondContact O-N 2.81Å; H278-H280 VanDerWaalsContact O-N 3.09Å
281F98Very high97.9Very high44 Ų4456.6 Ų56.619%0.19328%0.283CS..  trans-140.4154.6171.762.9-87.6000111.4L42 I127 F219 L279 W285 F286L42-F281 HydrophobicContact CD2-CE2 4.06Å; I127-F281 HydrophobicContact CD1-CZ 4.46Å; I127-F281 HydrophobicContact CG2-CD1 4.34Å; I127-F281 HydrophobicContact CG2-CE1 3.7Å; I127-F281 HydrophobicContact CG2-CZ 4.19Å; F219-F281 AromaticContact CE1-CD1 3.95Å; F219-F281 HydrophobicContact CE1-CD1 3.95Å; F219-F281 AromaticContact CZ-CD1 3.65Å; F219-F281 HydrophobicContact CZ-CD1 3.65Å; F219-F281 HydrophobicContact CZ-CE1 4.09Å; L279-F281 VanDerWaalsContact C-N 3.3Å; L279-F281 HydrophobicContact CB-CE1 4.06Å; L279-F281 HydrophobicContact CD2-CE1 4.12Å; L279-F281 VanDerWaalsContact O-CD1 3.24Å; L279-F281 WeakPolarHBondContact O-CD1 3.33Å; L279-F281 PolarHBondContact O-N 2.89Å; F281-W285 HydrophobicContact CB-CD2 3.99Å; F281-W285 HydrophobicContact CB-CE3 3.49Å; F281-W285 VanDerWaalsContact CB-CE3 3.49Å; F281-W285 HydrophobicContact CB-CG 4.46Å; F281-W285 HydrophobicContact CB-CZ3 4.03Å; F281-W285 HydrophobicContact CD1-CZ3 4.39Å; F281-W285 AromaticContact CD2-CE3 3.7Å; F281-W285 HydrophobicContact CD2-CE3 3.7Å; F281-W285 HydrophobicContact CD2-CZ3 4Å; F281-W285 AromaticContact CG-CE3 3.69Å; F281-W285 HydrophobicContact CG-CE3 3.69Å; F281-W285 AromaticContact CG-CZ3 3.88Å; F281-W285 HydrophobicContact CG-CZ3 3.88Å; F281-F286 HydrophobicContact CD2-CB 4.08Å; F281-F286 HydrophobicContact CE2-CB 4.06Å; F281-F286 HydrophobicContact CE2-CD2 4.3Å; F281-F286 HydrophobicContact CE2-CG 4.46Å
282D97.5Very high97.9Very high95 Ų9557.2 Ų57.251%0.50829%0.288SS..  trans-97.7169.8173.267.950000111.7N284 W285 F286D282-N284 VanDerWaalsContact C-N 3.27Å; D282-N284 PolarHBondContact O-N 3.22Å; D282-N284 WeakPolarHBondContact OD1-CA 3.48Å; D282-N284 WeakPolarHBondContact OD1-CB 3.34Å; D282-N284 PolarHBondContact OD1-N 2.75Å; D282-W285 PolarHBondContact O-N 2.96Å; D282-W285 PolarHBondContact OD1-N 2.95Å; D282-F286 PolarHBondContact O-N 3.16Å; D282-F286 VanDerWaalsContact O-N 3.12Å
283V98Very high97.8Very high34 Ų3458.1 Ų58.121%0.20630%0.3CS..Hα-helixtrans-66.3-28.3-177.672.10000112.8A45 F286 I287A45-V283 HydrophobicContact CB-CG2 3.61Å; V283-F286 PolarHBondContact O-N 2.99Å; V283-I287 HydrophobicContact CG2-CD1 4.14Å; V283-I287 HydrophobicContact CG2-CG1 4.5Å; V283-I287 WeakPolarHBondContact O-CD1 3.36Å; V283-I287 WeakPolarHBondContact O-CG1 3.3Å; V283-I287 PolarHBondContact O-N 3.48Å
284N98.3Very high97.8Very high115 Ų11554 Ų5462%0.61528%0.281SS*.Hα-helixtrans-71.5-43.6179.6-67.3-22.9000110.2D282 F286 I287 E288D282-N284 VanDerWaalsContact C-N 3.27Å; D282-N284 PolarHBondContact O-N 3.22Å; D282-N284 WeakPolarHBondContact OD1-CA 3.48Å; D282-N284 WeakPolarHBondContact OD1-CB 3.34Å; D282-N284 PolarHBondContact OD1-N 2.75Å; N284-F286 VanDerWaalsContact C-N 3.3Å; N284-F286 PolarHBondContact O-N 2.87Å; N284-I287 PolarHBondContact O-N 2.94Å; N284-E288 WeakPolarHBondContact O-CB 3.47Å; N284-E288 PolarHBondContact O-N 3.34Å
285W98.6Very high97.6Very high32 Ų3252.4 Ų52.412%0.12127%0.274CS..Hα-helixtrans-57.6-45.2172.2178.289.4000111.1V217 I272 K274 F281 D282 E288 K289 I290V217-W285 HydrophobicContact CB-CH2 4.47Å; V217-W285 HydrophobicContact CG1-CH2 3.64Å; V217-W285 HydrophobicContact CG1-CZ2 4.09Å; V217-W285 HydrophobicContact CG2-CH2 4.02Å; I272-W285 HydrophobicContact CG2-CZ2 3.91Å; K274-W285 HydrophobicContact CB-CZ2 4.03Å; K274-W285 HydrophobicContact CD-CD2 4.26Å; K274-W285 HydrophobicContact CD-CG 4.39Å; K274-W285 HydrophobicContact CD-CZ2 4.22Å; K274-W285 HydrophobicContact CG-CZ2 4.27Å; F281-W285 HydrophobicContact CB-CD2 3.99Å; F281-W285 HydrophobicContact CB-CE3 3.49Å; F281-W285 VanDerWaalsContact CB-CE3 3.49Å; F281-W285 HydrophobicContact CB-CG 4.46Å; F281-W285 HydrophobicContact CB-CZ3 4.03Å; F281-W285 HydrophobicContact CD1-CZ3 4.39Å; F281-W285 AromaticContact CD2-CE3 3.7Å; F281-W285 HydrophobicContact CD2-CE3 3.7Å; F281-W285 HydrophobicContact CD2-CZ3 4Å; F281-W285 AromaticContact CG-CE3 3.69Å; F281-W285 HydrophobicContact CG-CE3 3.69Å; F281-W285 AromaticContact CG-CZ3 3.88Å; F281-W285 HydrophobicContact CG-CZ3 3.88Å; D282-W285 PolarHBondContact O-N 2.96Å; D282-W285 PolarHBondContact OD1-N 2.95Å; W285-E288 PolarHBondContact O-N 2.84Å; W285-K289 HydrophobicContact CD2-CB 4.33Å; W285-K289 HydrophobicContact CD2-CG 4.24Å; W285-K289 HydrophobicContact CG-CG 4.22Å; W285-K289 HydrophobicContact CZ2-CB 4.07Å; W285-K289 HydrophobicContact CZ2-CG 4.3Å; W285-K289 VanDerWaalsContact O-CB 3.3Å; W285-K289 WeakPolarHBondContact O-CB 3.3Å; W285-K289 PolarHBondContact O-N 2.91Å; W285-I290 HydrophobicContact CH2-CD1 4.27Å; W285-I290 HydrophobicContact CH2-CG1 4.35Å; W285-I290 HydrophobicContact CZ3-CG1 4.18Å
286F98.7Very high97.1Very high0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-61.4-46177.5173.4-102000112.2L42 A45 I46 I100 I127 F281 D282 V283 N284 I290 V291L42-F286 HydrophobicContact CB-CE1 4.04Å; L42-F286 HydrophobicContact CB-CZ 4.15Å; L42-F286 HydrophobicContact CD2-CB 4.24Å; L42-F286 HydrophobicContact CD2-CD1 3.63Å; L42-F286 HydrophobicContact CD2-CD2 4.06Å; L42-F286 HydrophobicContact CD2-CE1 3.9Å; L42-F286 HydrophobicContact CD2-CE2 4.31Å; L42-F286 HydrophobicContact CD2-CG 3.71Å; L42-F286 HydrophobicContact CD2-CZ 4.23Å; A45-F286 HydrophobicContact CB-CD1 4.38Å; A45-F286 HydrophobicContact CB-CE1 4.45Å; I46-F286 HydrophobicContact CD1-CE1 4.36Å; I46-F286 HydrophobicContact CD1-CZ 4.11Å; I46-F286 HydrophobicContact CG1-CE1 3.91Å; I46-F286 HydrophobicContact CG1-CZ 4.11Å; I100-F286 HydrophobicContact CD1-CE2 4.15Å; I100-F286 HydrophobicContact CD1-CZ 3.81Å; I127-F286 HydrophobicContact CD1-CD2 3.95Å; I127-F286 HydrophobicContact CD1-CE2 3.93Å; F281-F286 HydrophobicContact CD2-CB 4.08Å; F281-F286 HydrophobicContact CE2-CB 4.06Å; F281-F286 HydrophobicContact CE2-CD2 4.3Å; F281-F286 HydrophobicContact CE2-CG 4.46Å; D282-F286 PolarHBondContact O-N 3.16Å; D282-F286 VanDerWaalsContact O-N 3.12Å; V283-F286 PolarHBondContact O-N 2.99Å; N284-F286 VanDerWaalsContact C-N 3.3Å; N284-F286 PolarHBondContact O-N 2.87Å; F286-I290 HydrophobicContact CD2-CB 3.94Å; F286-I290 HydrophobicContact CD2-CG1 3.9Å; F286-I290 HydrophobicContact CD2-CG2 4.36Å; F286-I290 HydrophobicContact CE2-CB 4Å; F286-I290 HydrophobicContact CE2-CG1 4.28Å; F286-I290 HydrophobicContact CE2-CG2 3.91Å; F286-I290 WeakPolarHBondContact O-CA 3.44Å; F286-I290 VanDerWaalsContact O-CB 3.24Å; F286-I290 WeakPolarHBondContact O-CB 3.47Å; F286-I290 PolarHBondContact O-N 3.23Å; F286-V291 HydrophobicContact CD1-CG2 3.82Å; F286-V291 HydrophobicContact CE1-CG2 3.42Å; F286-V291 VanDerWaalsContact CE1-CG2 3.42Å; F286-V291 HydrophobicContact CZ-CG2 3.89Å; F286-V291 PolarHBondContact O-N 2.88Å; F286-V291 VanDerWaalsContact O-N 3.15Å
287I98.5Very high97Very high39 Ų3956.3 Ų56.320%0.228%0.28CS..Iπ-helixtrans-59-51177-70.9163.3000110.5A45 E49 V283 N284 V291 I292A45-I287 HydrophobicContact CB-CD1 4.03Å; A45-I287 HydrophobicContact CB-CG1 3.89Å; E49-I287 HydrophobicContact CB-CG2 4.5Å; E49-I287 HydrophobicContact CG-CG2 4.24Å; V283-I287 HydrophobicContact CG2-CD1 4.14Å; V283-I287 HydrophobicContact CG2-CG1 4.5Å; V283-I287 WeakPolarHBondContact O-CD1 3.36Å; V283-I287 WeakPolarHBondContact O-CG1 3.3Å; V283-I287 PolarHBondContact O-N 3.48Å; N284-I287 PolarHBondContact O-N 2.94Å; I287-V291 WeakPolarHBondContact O-CB 3.1Å; I287-V291 PolarHBondContact O-N 3.41Å; I287-I292 HydrophobicContact CG2-CD1 3.8Å; I287-I292 HydrophobicContact CG2-CG1 4.07Å; I287-I292 WeakPolarHBondContact O-CG1 3.48Å; I287-I292 PolarHBondContact O-N 3.23Å
288E98.4Very high97.1Very high109 Ų10956.7 Ų56.751%0.50928%0.282SS..Iπ-helixtrans-68.4-51-175.4-169.4-163.6145.700112N284 W285N284-E288 WeakPolarHBondContact O-CB 3.47Å; N284-E288 PolarHBondContact O-N 3.34Å; W285-E288 PolarHBondContact O-N 2.84Å
289K98.4Very high97.2Very high82 Ų8258.7 Ų58.736%0.35729%0.292SS..Iπ-helixtrans-85.9-22-170-60.2-48.4-171.4-1650113.8W285 F294W285-K289 HydrophobicContact CD2-CB 4.33Å; W285-K289 HydrophobicContact CD2-CG 4.24Å; W285-K289 HydrophobicContact CG-CG 4.22Å; W285-K289 HydrophobicContact CZ2-CB 4.07Å; W285-K289 HydrophobicContact CZ2-CG 4.3Å; W285-K289 VanDerWaalsContact O-CB 3.3Å; W285-K289 WeakPolarHBondContact O-CB 3.3Å; W285-K289 PolarHBondContact O-N 2.91Å; K289-F294 VanDerWaalsContact O-CD2 3.28Å; K289-F294 WeakPolarHBondContact O-CD2 3.45Å; K289-F294 WeakPolarHBondContact O-CE2 3.3Å
290I98.6Very high97.2Very high0 Ų058.8 Ų58.80%029%0.292CS..Iπ-helixtrans-113.3-58.9-178.5-52.2-59.5000110.7I100 V125 I127 V215 V217 I272 W285 F286 F294I100-I290 HydrophobicContact CD1-CG2 4.49Å; V125-I290 HydrophobicContact CB-CG2 4.42Å; V125-I290 HydrophobicContact CG1-CD1 4.02Å; V125-I290 HydrophobicContact CG1-CG2 3.88Å; V125-I290 HydrophobicContact CG2-CG2 3.94Å; I127-I290 HydrophobicContact CD1-CG1 4.22Å; V215-I290 HydrophobicContact CG1-CD1 4.35Å; V217-I290 HydrophobicContact CG2-CD1 3.84Å; I272-I290 HydrophobicContact CD1-CD1 4Å; W285-I290 HydrophobicContact CH2-CD1 4.27Å; W285-I290 HydrophobicContact CH2-CG1 4.35Å; W285-I290 HydrophobicContact CZ3-CG1 4.18Å; F286-I290 HydrophobicContact CD2-CB 3.94Å; F286-I290 HydrophobicContact CD2-CG1 3.9Å; F286-I290 HydrophobicContact CD2-CG2 4.36Å; F286-I290 HydrophobicContact CE2-CB 4Å; F286-I290 HydrophobicContact CE2-CG1 4.28Å; F286-I290 HydrophobicContact CE2-CG2 3.91Å; F286-I290 WeakPolarHBondContact O-CA 3.44Å; F286-I290 VanDerWaalsContact O-CB 3.24Å; F286-I290 WeakPolarHBondContact O-CB 3.47Å; F286-I290 PolarHBondContact O-N 3.23Å; I290-F294 WeakPolarHBondContact O-CB 3.44Å; I290-F294 PolarHBondContact O-N 3.26Å
291V98.3Very high97.3Very high0 Ų055.2 Ų55.20%028%0.276CS..Iπ-helixtrans-70-57.5-169.4-173.10000111.8I46 E49 I50 F286 I287 L295 K296I46-V291 HydrophobicContact CG1-CG1 4.47Å; I46-V291 HydrophobicContact CG1-CG2 3.86Å; E49-V291 HydrophobicContact CB-CG1 3.94Å; E49-V291 HydrophobicContact CG-CG1 3.89Å; I50-V291 HydrophobicContact CD1-CG1 3.74Å; I50-V291 HydrophobicContact CG1-CG1 3.91Å; F286-V291 HydrophobicContact CD1-CG2 3.82Å; F286-V291 HydrophobicContact CE1-CG2 3.42Å; F286-V291 VanDerWaalsContact CE1-CG2 3.42Å; F286-V291 HydrophobicContact CZ-CG2 3.89Å; F286-V291 PolarHBondContact O-N 2.88Å; F286-V291 VanDerWaalsContact O-N 3.15Å; I287-V291 WeakPolarHBondContact O-CB 3.1Å; I287-V291 PolarHBondContact O-N 3.41Å; V291-L295 HydrophobicContact CG1-CD1 4.48Å; V291-L295 HydrophobicContact CG2-CD1 4.37Å; V291-L295 WeakPolarHBondContact O-CB 3.15Å; V291-L295 PolarHBondContact O-N 2.82Å; V291-K296 PolarHBondContact O-N 3.44Å
292I97.4Very high97.2Very high76 Ų7655.9 Ų55.939%0.3928%0.281SS..Iπ-helixtrans-65.6-42.1-178.9-66.5175.8000110.7E49 I287E49-I292 HydrophobicContact CG-CD1 4.33Å; E49-I292 HydrophobicContact CG-CG1 3.67Å; I287-I292 HydrophobicContact CG2-CD1 3.8Å; I287-I292 HydrophobicContact CG2-CG1 4.07Å; I287-I292 WeakPolarHBondContact O-CG1 3.48Å; I287-I292 PolarHBondContact O-N 3.23Å
293A97.6Very high97.2Very high48 Ų4853.1 Ų53.140%0.39727%0.265SS..Hα-helixtrans-70.6-35.3-175.700000113.3
294F97.6Very high97.1Very high27 Ų2754.6 Ų54.612%0.11827%0.27CS..Hα-helixtrans-131-14.1-166.3-57.9-73.1000117.3T123 R213 V215 H270 I272 K289 I290T123-F294 HydrophobicContact CG2-CB 3.74Å; T123-F294 PolarHBondContact OG1-O 3.33Å; R213-F294 PolarHBondContact NH1-O 3.35Å; V215-F294 HydrophobicContact CG1-CD2 4.21Å; V215-F294 HydrophobicContact CG1-CE2 4.04Å; V215-F294 HydrophobicContact CG1-CZ 4.41Å; V215-F294 HydrophobicContact CG2-CB 4.23Å; V215-F294 HydrophobicContact CG2-CD1 3.73Å; V215-F294 HydrophobicContact CG2-CD2 3.93Å; V215-F294 HydrophobicContact CG2-CE1 3.97Å; V215-F294 HydrophobicContact CG2-CE2 4.2Å; V215-F294 HydrophobicContact CG2-CG 3.68Å; V215-F294 HydrophobicContact CG2-CZ 4.2Å; H270-F294 HydrophobicContact CB-CE1 4.21Å; H270-F294 HydrophobicContact CB-CZ 4.17Å; H270-F294 AromaticContact CD2-CE1 3.61Å; H270-F294 AromaticContact CG-CE1 3.65Å; H270-F294 AromaticContact ND1-CE1 3.91Å; H270-F294 AromaticContact NE2-CE1 3.82Å; I272-F294 HydrophobicContact CD1-CE2 3.64Å; I272-F294 HydrophobicContact CD1-CZ 4.22Å; K289-F294 VanDerWaalsContact O-CD2 3.28Å; K289-F294 WeakPolarHBondContact O-CD2 3.45Å; K289-F294 WeakPolarHBondContact O-CE2 3.3Å; I290-F294 WeakPolarHBondContact O-CB 3.44Å; I290-F294 PolarHBondContact O-N 3.26Å
295L96.3Very high97Very high11 Ų1149.6 Ų49.66%0.05824%0.241CC..THydrogen-bonded Turntrans-111.8-13.6-176-53.3-178.7000113.8V24 I46 I50 H98 I100 T123 V291V24-L295 HydrophobicContact CG2-CD1 4.49Å; I46-L295 HydrophobicContact CD1-CD1 4.46Å; I50-L295 HydrophobicContact CD1-CB 3.76Å; I50-L295 WeakPolarHBondContact CD1-O 3.3Å; H98-L295 HydrophobicContact CB-CD2 3.9Å; I100-L295 HydrophobicContact CD1-CD1 3.76Å; I100-L295 HydrophobicContact CG1-CD1 4.49Å; T123-L295 HydrophobicContact CG2-CD2 3.92Å; V291-L295 HydrophobicContact CG1-CD1 4.48Å; V291-L295 HydrophobicContact CG2-CD1 4.37Å; V291-L295 WeakPolarHBondContact O-CB 3.15Å; V291-L295 PolarHBondContact O-N 2.82Å
296K85.9Confident96.9Very high171 Ų17151.2 Ų51.274%0.74325%0.252SS*.  trans-900-178.8-166.1173.5-170.41660111.8E49 I50 V291E49-K296 IonicContact OE1-NZ 2.74Å; E49-K296 PolarHBondContact OE1-NZ 3.19Å; I50-K296 HydrophobicContact CD1-CB 4.39Å; V291-K296 PolarHBondContact O-N 3.44Å

Retrieved 296 of 296 residues in 459 ms (Link to these results)

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