A0A077ZNB0_TRITR Loading...

mitogen-activated protein kinase kinase

AlphaFold DB , UniProt , Accession A0A077ZNB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M90.1Very high92.6Very high107 Ų10785.7 Ų85.753%0.52747%0.466SS..  0141.30179.2173.2166.100108I9 F10 V12M1-I9 WeakPolarHBondContact O-CA 3.39Å; M1-F10 HydrophobicContact CB-CD2 3.77Å; M1-F10 HydrophobicContact CB-CE2 3.42Å; M1-F10 VanDerWaalsContact CB-CE2 3.42Å; M1-F10 HydrophobicContact CB-CZ 3.93Å; M1-F10 HydrophobicContact CE-CE2 4.05Å; M1-F10 HydrophobicContact CE-CZ 4.17Å; M1-F10 HydrophobicContact CG-CD2 4.19Å; M1-F10 HydrophobicContact CG-CE2 3.32Å; M1-F10 HydrophobicContact CG-CZ 3.56Å; M1-F10 PolarHBondContact N-O 2.8Å; M1-F10 WeakPolarHBondContact O-CD1 3.25Å; M1-F10 WeakPolarHBondContact O-CE1 3.35Å; M1-F10 PolarHBondContact O-N 3.07Å; M1-F10 HydrophobicContact SD-CD2 4.45Å; M1-F10 HydrophobicContact SD-CE2 3.49Å; M1-F10 WeakPolarHBondContact SD-CE2 3.41Å; M1-F10 HydrophobicContact SD-CZ 4.09Å; M1-V12 HydrophobicContact CB-CG2 3.89Å; M1-V12 HydrophobicContact SD-CG2 4.1Å
2L92.5Very high92.6Very high87 Ų8782.8 Ų82.846%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-98.5134.7176.6-178.668.2000108.5P4 I9L2-P4 WeakPolarHBondContact O-CD 3.39Å; L2-I9 HydrophobicContact CD1-CG1 3.99Å
3H90.4Very high92.3Very high72 Ų7280.8 Ų80.833%0.33344%0.437SS..EExtended strand (participates in β ladder)trans-97.1107.2170176.6-125.4000105.7E5 T6 N7 T8 F10H3-E5 IonicContact CD2-OE2 3.07Å; H3-E5 PolarHBondContact CD2-OE2 2.82Å; H3-E5 IonicContact CE1-OE2 2.97Å; H3-E5 IonicContact CG-OE2 2.65Å; H3-E5 IonicContact ND1-OE2 3.74Å; H3-E5 IonicContact NE2-OE2 4Å; H3-E5 PolarHBondContact NE2-OE2 3.4Å; H3-E5 PolarHBondContact O-N 2.84Å; H3-T6 VanDerWaalsContact ND1-CG2 3.33Å; H3-T6 WeakPolarHBondContact ND1-CG2 3.33Å; H3-T6 PolarHBondContact ND1-N 3.22Å; H3-T6 PolarHBondContact ND1-OG1 3.1Å; H3-T6 PolarHBondContact O-N 3.25Å; H3-N7 WeakPolarHBondContact O-CA 3.38Å; H3-N7 PolarHBondContact O-N 3.42Å; H3-T8 PolarHBondContact N-O 3.37Å; H3-T8 PolarHBondContact O-N 3.45Å; H3-F10 HydrophobicContact CB-CD1 4.31Å; H3-F10 HydrophobicContact CB-CE1 3.23Å; H3-F10 HydrophobicContact CB-CZ 3.68Å
4P91Very high92Very high101 Ų10183.2 Ų83.266%0.65644%0.437SS*.THydrogen-bonded Turntrans-55.1-40.5-171.5-27.134.9000113.2L2 T6 N7L2-P4 WeakPolarHBondContact O-CD 3.39Å; P4-T6 PolarHBondContact O-N 2.83Å; P4-N7 PolarHBondContact O-N 3.48Å
5E92.5Very high91.3Very high147 Ų14779.3 Ų79.369%0.68742%0.416SS*.THydrogen-bonded Turntrans-68.6-35.6-171.7-62.481.7173.200112.3H3H3-E5 IonicContact CD2-OE2 3.07Å; H3-E5 PolarHBondContact CD2-OE2 2.82Å; H3-E5 IonicContact CE1-OE2 2.97Å; H3-E5 IonicContact CG-OE2 2.65Å; H3-E5 IonicContact ND1-OE2 3.74Å; H3-E5 IonicContact NE2-OE2 4Å; H3-E5 PolarHBondContact NE2-OE2 3.4Å; H3-E5 PolarHBondContact O-N 2.84Å
6T91.6Very high90.7Very high81 Ų8181.7 Ų81.750%0.49742%0.424SS..THydrogen-bonded Turntrans-106.60.5179.566.40000112.9H3 P4 T8H3-T6 VanDerWaalsContact ND1-CG2 3.33Å; H3-T6 WeakPolarHBondContact ND1-CG2 3.33Å; H3-T6 PolarHBondContact ND1-N 3.22Å; H3-T6 PolarHBondContact ND1-OG1 3.1Å; H3-T6 PolarHBondContact O-N 3.25Å; P4-T6 PolarHBondContact O-N 2.83Å; T6-T8 WeakPolarHBondContact CB-OG1 3.41Å; T6-T8 PolarHBondContact O-N 2.9Å; T6-T8 PolarHBondContact O-OG1 2.93Å; T6-T8 VanDerWaalsContact O-OG1 3.07Å; T6-T8 VanDerWaalsContact OG1-CB 3.25Å; T6-T8 WeakPolarHBondContact OG1-CB 3.33Å; T6-T8 PolarHBondContact OG1-OG1 2.96Å
7N93.6Very high90.1Very high127 Ų12780.6 Ų80.668%0.67942%0.421SS*.THydrogen-bonded Turntrans46.634.3-171.3-163.935.6000113.2H3 P4H3-N7 WeakPolarHBondContact O-CA 3.38Å; H3-N7 PolarHBondContact O-N 3.42Å; P4-N7 PolarHBondContact O-N 3.48Å
8T92.4Very high89.4Confident49 Ų4979.3 Ų79.330%0.30142%0.417SS..EExtended strand (participates in β ladder)trans-99.4133.5-174.8-56.20000109.9H3 T6 F10H3-T8 PolarHBondContact N-O 3.37Å; H3-T8 PolarHBondContact O-N 3.45Å; T6-T8 WeakPolarHBondContact CB-OG1 3.41Å; T6-T8 PolarHBondContact O-N 2.9Å; T6-T8 PolarHBondContact O-OG1 2.93Å; T6-T8 VanDerWaalsContact O-OG1 3.07Å; T6-T8 VanDerWaalsContact OG1-CB 3.25Å; T6-T8 WeakPolarHBondContact OG1-CB 3.33Å; T6-T8 PolarHBondContact OG1-OG1 2.96Å; T8-F10 WeakPolarHBondContact O-CD1 3.22Å; T8-F10 WeakPolarHBondContact O-CE1 3.12Å
9I95Very high88.7Confident114 Ų11484.1 Ų84.159%0.58544%0.442SS*.EExtended strand (participates in β ladder)trans-91.7131172.4-58.6174.2000109M1 L2 A62M1-I9 WeakPolarHBondContact O-CA 3.39Å; L2-I9 HydrophobicContact CD1-CG1 3.99Å; I9-A62 HydrophobicContact CG2-CB 4.04Å
10F94.6Very high88.3Confident19 Ų1983.9 Ų83.98%0.08344%0.442CS..EExtended strand (participates in β ladder)trans-128.2151.5175.535.7-76.4000111.4M1 H3 T8 V12 Y47 C59 M60M1-F10 HydrophobicContact CB-CD2 3.77Å; M1-F10 HydrophobicContact CB-CE2 3.42Å; M1-F10 VanDerWaalsContact CB-CE2 3.42Å; M1-F10 HydrophobicContact CB-CZ 3.93Å; M1-F10 HydrophobicContact CE-CE2 4.05Å; M1-F10 HydrophobicContact CE-CZ 4.17Å; M1-F10 HydrophobicContact CG-CD2 4.19Å; M1-F10 HydrophobicContact CG-CE2 3.32Å; M1-F10 HydrophobicContact CG-CZ 3.56Å; M1-F10 PolarHBondContact N-O 2.8Å; M1-F10 WeakPolarHBondContact O-CD1 3.25Å; M1-F10 WeakPolarHBondContact O-CE1 3.35Å; M1-F10 PolarHBondContact O-N 3.07Å; M1-F10 HydrophobicContact SD-CD2 4.45Å; M1-F10 HydrophobicContact SD-CE2 3.49Å; M1-F10 WeakPolarHBondContact SD-CE2 3.41Å; M1-F10 HydrophobicContact SD-CZ 4.09Å; H3-F10 HydrophobicContact CB-CD1 4.31Å; H3-F10 HydrophobicContact CB-CE1 3.23Å; H3-F10 HydrophobicContact CB-CZ 3.68Å; T8-F10 WeakPolarHBondContact O-CD1 3.22Å; T8-F10 WeakPolarHBondContact O-CE1 3.12Å; F10-V12 HydrophobicContact CD2-CG2 3.76Å; F10-V12 HydrophobicContact CE2-CG2 4.17Å; F10-Y47 HydrophobicContact CB-CD2 4Å; F10-Y47 HydrophobicContact CB-CE2 3.97Å; F10-C59 HydrophobicContact CD2-CB 4.15Å; F10-M60 CarbonylContact C-O 3.43Å; F10-M60 WeakPolarHBondContact CA-O 3.36Å; F10-M60 WeakPolarHBondContact CB-O 3.27Å
11A95.1Very high87.9Confident39 Ų3985.2 Ų85.232%0.32245%0.449SS..EExtended strand (participates in β ladder)trans-78.5144.4162.700000109.2M60A11-M60 PolarHBondContact N-O 3.04Å; A11-M60 PolarHBondContact O-N 3.46Å
12V92.5Very high87.2Confident50 Ų5085.8 Ų85.830%0.30345%0.451SS..EExtended strand (participates in β ladder)trans-123.1119.1175.4-179.80000108.4M1 F10 W57 L58M1-V12 HydrophobicContact CB-CG2 3.89Å; M1-V12 HydrophobicContact SD-CG2 4.1Å; F10-V12 HydrophobicContact CD2-CG2 3.76Å; F10-V12 HydrophobicContact CE2-CG2 4.17Å; V12-W57 HydrophobicContact CG1-CB 3.86Å; V12-W57 HydrophobicContact CG1-CD2 4.01Å; V12-W57 HydrophobicContact CG1-CE3 3.63Å; V12-W57 HydrophobicContact CG1-CG 4.16Å; V12-W57 HydrophobicContact CG1-CZ3 4.43Å; V12-L58 WeakPolarHBondContact CA-O 3.29Å
13K88.6Confident86.3Confident58 Ų5884.3 Ų84.325%0.25245%0.445SS..EExtended strand (participates in β ladder)trans-98.3117.3171.6-176.2179.1179.5-177.60108.9I15 E30 W57 L58 M60 D128K13-I15 HydrophobicContact CG-CG1 4.37Å; K13-E30 IonicContact NZ-OE1 3.61Å; K13-E30 PolarHBondContact NZ-OE1 3.06Å; K13-W57 WeakPolarHBondContact O-CA 3.24Å; K13-L58 HydrophobicContact CB-CB 4.35Å; K13-L58 PolarHBondContact N-O 2.74Å; K13-L58 PolarHBondContact O-N 2.74Å; K13-M60 HydrophobicContact CB-CE 3.82Å; K13-D128 WeakPolarHBondContact CE-OD1 3.36Å; K13-D128 IonicContact NZ-OD1 3.06Å; K13-D128 PolarHBondContact NZ-OD1 3.22Å
14R88Confident85.7Confident114 Ų11484.2 Ų84.243%0.4344%0.444SS..EExtended strand (participates in β ladder)trans-88.3125.2175.9-175.8177.2179.6150.79.7109.1E53 D55R14-E53 IonicContact CZ-OE2 2.91Å; R14-E53 IonicContact NH1-OE2 2.74Å; R14-E53 PolarHBondContact NH1-OE2 2.91Å; R14-E53 IonicContact NH2-OE2 3.18Å; R14-E53 PolarHBondContact NH2-OE2 3.02Å; R14-D55 HydrophobicContact CG-CB 4.04Å; R14-D55 IonicContact CZ-OD2 3.71Å; R14-D55 IonicContact NE-OD2 3.95Å; R14-D55 PolarHBondContact NE-OD2 2.7Å; R14-D55 IonicContact NH2-OD2 3.22Å; R14-D55 PolarHBondContact NH2-OD2 2.97Å
15I81.4Confident85.2Confident24 Ų2486.1 Ų86.112%0.12344%0.442CS..EExtended strand (participates in β ladder)trans-117.6119.7178-58179000107.9K13 V17 M27 D55 V56 L58K13-I15 HydrophobicContact CG-CG1 4.37Å; I15-V17 PolarHBondContact O-N 3.37Å; I15-M27 HydrophobicContact CB-CE 4.33Å; I15-M27 HydrophobicContact CG2-CE 4.04Å; I15-M27 HydrophobicContact CG2-CG 4.3Å; I15-M27 HydrophobicContact CG2-SD 4.02Å; I15-D55 WeakPolarHBondContact O-CB 3.29Å; I15-V56 PolarHBondContact N-O 2.74Å; I15-V56 PolarHBondContact O-N 3.45Å; I15-L58 HydrophobicContact CD1-CD1 3.58Å; I15-L58 HydrophobicContact CD1-CG 3.97Å
16H82.4Confident84.3Confident118 Ų11885.8 Ų85.855%0.54644%0.435SS..EExtended strand (participates in β ladder)trans-71.4124.4176.8-68.9-62000111.2T18 D55H16-T18 PolarHBondContact O-N 2.92Å; H16-D55 VanDerWaalsContact CA-OD1 3.28Å; H16-D55 WeakPolarHBondContact CA-OD1 3.49Å; H16-D55 IonicContact CE1-OD1 2.76Å; H16-D55 IonicContact CE1-OD2 2.7Å; H16-D55 PolarHBondContact CE1-OD2 3.06Å; H16-D55 IonicContact CG-OD1 2.69Å; H16-D55 IonicContact ND1-OD1 3.57Å; H16-D55 PolarHBondContact ND1-OD1 2.89Å; H16-D55 IonicContact ND1-OD2 3.61Å; H16-D55 PolarHBondContact ND1-OD2 3.25Å
17V79.4Confident83.6Confident63 Ų6383.3 Ų83.338%0.38242%0.418SS..  trans-75.3122.5174.7179.50000108.2I15 M27 F51 G54 V56I15-V17 PolarHBondContact O-N 3.37Å; V17-M27 HydrophobicContact CG2-CE 4.36Å; V17-F51 HydrophobicContact CG2-CE2 3.99Å; V17-G54 WeakPolarHBondContact CB-O 3.32Å; V17-G54 WeakPolarHBondContact CG2-O 3.31Å; V17-V56 HydrophobicContact CG2-CG2 4.05Å
18T77.7Confident83Confident57 Ų5782.3 Ų82.335%0.3541%0.412SS..  trans-114.5157.5175.369.20000109.5H16 N20 V23 Q24H16-T18 PolarHBondContact O-N 2.92Å; T18-N20 PolarHBondContact O-N 3.26Å; T18-V23 WeakPolarHBondContact OG1-CB 3.28Å; T18-V23 WeakPolarHBondContact OG1-CG1 3.34Å; T18-Q24 PolarHBondContact O-NE2 2.82Å
19L77Confident82.4Confident170 Ų17081.4 Ų81.489%0.8941%0.405SS*.SBendtrans-76.97175.6-64173.3000113
20N79.4Confident81.7Confident81 Ų8177.4 Ų77.443%0.43338%0.384SS..  trans-86.7113.9-179.5-176.3-35000110.2T18 E22 V23 Q24T18-N20 PolarHBondContact O-N 3.26Å; N20-E22 PolarHBondContact O-N 2.78Å; N20-E22 WeakPolarHBondContact OD1-CB 3.29Å; N20-E22 PolarHBondContact OD1-N 2.76Å; N20-V23 HydrophobicContact CB-CB 4.19Å; N20-V23 HydrophobicContact CB-CG2 3.88Å; N20-V23 WeakPolarHBondContact O-CB 3.33Å; N20-V23 PolarHBondContact O-N 2.96Å; N20-Q24 PolarHBondContact O-N 2.96Å
21D79.8Confident81.1Confident111 Ų11178.4 Ų78.459%0.59439%0.39SS*.Hα-helixtrans-54-34.8179.7-68.4-15.8000113.6Q24 K25D21-Q24 PolarHBondContact O-N 2.96Å; D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 VanDerWaalsContact O-CG 3.31Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 3.48Å
22E76Confident80.6Confident120 Ų12080.9 Ų80.956%0.56140%0.398SS*.Hα-helixtrans-68.8-39.6177.3-64.3-158.6153.900112N20 K25 R26N20-E22 PolarHBondContact O-N 2.78Å; N20-E22 WeakPolarHBondContact OD1-CB 3.29Å; N20-E22 PolarHBondContact OD1-N 2.76Å; E22-K25 PolarHBondContact O-N 3.44Å; E22-R26 VanDerWaalsContact O-CG 3.32Å; E22-R26 WeakPolarHBondContact O-CG 3.39Å; E22-R26 PolarHBondContact O-N 2.9Å; E22-R26 IonicContact OE2-NH2 3.05Å
23V73.4Confident80.1Confident55 Ų5578.5 Ų78.533%0.33338%0.384SS..Hα-helixtrans-66.5-42.7177178.20000109.6T18 N20 R26 M27T18-V23 WeakPolarHBondContact OG1-CB 3.28Å; T18-V23 WeakPolarHBondContact OG1-CG1 3.34Å; N20-V23 HydrophobicContact CB-CB 4.19Å; N20-V23 HydrophobicContact CB-CG2 3.88Å; N20-V23 WeakPolarHBondContact O-CB 3.33Å; N20-V23 PolarHBondContact O-N 2.96Å; V23-R26 PolarHBondContact O-N 2.89Å; V23-M27 VanDerWaalsContact O-CB 3.29Å; V23-M27 WeakPolarHBondContact O-CB 3.32Å; V23-M27 PolarHBondContact O-N 2.84Å
24Q77.9Confident80Confident70 Ų7075.9 Ų75.933%0.32737%0.372SS..Hα-helixtrans-63-43176.1-68-177-2.800112.3T18 N20 D21 R26 M27 L28T18-Q24 PolarHBondContact O-NE2 2.82Å; N20-Q24 PolarHBondContact O-N 2.96Å; D21-Q24 PolarHBondContact O-N 2.96Å; Q24-R26 PolarHBondContact O-N 2.86Å; Q24-M27 WeakPolarHBondContact O-CB 3.42Å; Q24-M27 PolarHBondContact O-N 2.86Å; Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 3.47Å
25K80.3Confident80Confident141 Ų14176.2 Ų76.261%0.61338%0.38SS*.Hα-helixtrans-60.3-46.1174.4-77.7175.8-176175.70111.7D21 E22 M27 L28 I29D21-K25 WeakPolarHBondContact O-CB 3.49Å; D21-K25 VanDerWaalsContact O-CG 3.31Å; D21-K25 WeakPolarHBondContact O-CG 3.44Å; D21-K25 PolarHBondContact O-N 3.48Å; E22-K25 PolarHBondContact O-N 3.44Å; K25-M27 VanDerWaalsContact C-N 3.31Å; K25-M27 PolarHBondContact O-N 2.9Å; K25-L28 PolarHBondContact O-N 3.32Å; K25-I29 WeakPolarHBondContact O-CD1 3.48Å; K25-I29 VanDerWaalsContact O-CG1 3.24Å; K25-I29 WeakPolarHBondContact O-CG1 3.2Å; K25-I29 PolarHBondContact O-N 3.09Å
26R73.7Confident80.4Confident141 Ų14180.1 Ų80.153%0.53240%0.397SS..Hα-helixtrans-60.8-43.1177.1-72.3175.1-164.1-1768.5111.5E22 V23 Q24 I29 E30E22-R26 VanDerWaalsContact O-CG 3.32Å; E22-R26 WeakPolarHBondContact O-CG 3.39Å; E22-R26 PolarHBondContact O-N 2.9Å; E22-R26 IonicContact OE2-NH2 3.05Å; V23-R26 PolarHBondContact O-N 2.89Å; Q24-R26 PolarHBondContact O-N 2.86Å; R26-I29 PolarHBondContact O-N 3.37Å; R26-E30 PolarHBondContact O-N 2.58Å
27M77.6Confident80.7Confident28 Ų2874.5 Ų74.514%0.13837%0.371CS..Hα-helixtrans-62.2-42.5177.4-178.5-177-179.300112.7I15 V17 V23 Q24 K25 I29 E30 L31 V56I15-M27 HydrophobicContact CB-CE 4.33Å; I15-M27 HydrophobicContact CG2-CE 4.04Å; I15-M27 HydrophobicContact CG2-CG 4.3Å; I15-M27 HydrophobicContact CG2-SD 4.02Å; V17-M27 HydrophobicContact CG2-CE 4.36Å; V23-M27 VanDerWaalsContact O-CB 3.29Å; V23-M27 WeakPolarHBondContact O-CB 3.32Å; V23-M27 PolarHBondContact O-N 2.84Å; Q24-M27 WeakPolarHBondContact O-CB 3.42Å; Q24-M27 PolarHBondContact O-N 2.86Å; K25-M27 VanDerWaalsContact C-N 3.31Å; K25-M27 PolarHBondContact O-N 2.9Å; M27-I29 VanDerWaalsContact C-N 3.33Å; M27-I29 PolarHBondContact O-N 3.43Å; M27-E30 PolarHBondContact O-N 2.94Å; M27-L31 WeakPolarHBondContact O-CB 3.36Å; M27-L31 PolarHBondContact O-N 3.11Å; M27-V56 HydrophobicContact CE-CB 3.17Å; M27-V56 HydrophobicContact CE-CG1 3.62Å; M27-V56 HydrophobicContact CE-CG2 3.18Å
28L81.3Confident81.2Confident107 Ų10773.8 Ų73.856%0.5638%0.375SS*.Hα-helixtrans-63-40174.8-75.3171.6000111.9Q24 K25 L31 N32Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 3.47Å; K25-L28 PolarHBondContact O-N 3.32Å; L28-L31 PolarHBondContact O-N 3.41Å; L28-N32 WeakPolarHBondContact O-CB 3Å; L28-N32 PolarHBondContact O-N 3.38Å; L28-N32 PolarHBondContact O-ND2 3.49Å
29I79.6Confident81.9Confident30 Ų3077 Ų7715%0.15439%0.39CS..Hα-helixtrans-67.4-43177.5-62.8163.9000110.8K25 R26 M27 L31 N32 A33 L106 I131K25-I29 WeakPolarHBondContact O-CD1 3.48Å; K25-I29 VanDerWaalsContact O-CG1 3.24Å; K25-I29 WeakPolarHBondContact O-CG1 3.2Å; K25-I29 PolarHBondContact O-N 3.09Å; R26-I29 PolarHBondContact O-N 3.37Å; M27-I29 VanDerWaalsContact C-N 3.33Å; M27-I29 PolarHBondContact O-N 3.43Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.49Å; I29-N32 PolarHBondContact O-N 2.9Å; I29-A33 PolarHBondContact O-N 3.27Å; I29-L106 HydrophobicContact CG2-CD2 4.24Å; I29-I131 HydrophobicContact CB-CG2 4.48Å; I29-I131 HydrophobicContact CG2-CB 3.58Å; I29-I131 HydrophobicContact CG2-CD1 3.77Å; I29-I131 HydrophobicContact CG2-CG1 4.19Å; I29-I131 HydrophobicContact CG2-CG2 3.26Å
30E79.3Confident82.8Confident30 Ų3069.2 Ų69.214%0.1435%0.351CS..Hα-helixtrans-59.4-43.9173.9-176.2177.1176.800111.8K13 R26 M27 A33 S34K13-E30 IonicContact NZ-OE1 3.61Å; K13-E30 PolarHBondContact NZ-OE1 3.06Å; R26-E30 PolarHBondContact O-N 2.58Å; M27-E30 PolarHBondContact O-N 2.94Å; E30-A33 PolarHBondContact O-N 3.09Å; E30-S34 VanDerWaalsContact O-CB 3.29Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 3.04Å; E30-S34 PolarHBondContact O-OG 3.19Å
31L83.5Confident83.6Confident39 Ų3969.7 Ų69.720%0.20436%0.358CS..Hα-helixtrans-65-44177.9-171.7137.5000111.6M27 L28 I29 A33 S34 M35 A49 L58M27-L31 WeakPolarHBondContact O-CB 3.36Å; M27-L31 PolarHBondContact O-N 3.11Å; L28-L31 PolarHBondContact O-N 3.41Å; I29-L31 VanDerWaalsContact C-N 3.35Å; I29-L31 PolarHBondContact O-N 3.49Å; L31-A33 PolarHBondContact O-N 3.11Å; L31-S34 WeakPolarHBondContact O-CB 3.4Å; L31-S34 PolarHBondContact O-N 2.97Å; L31-M35 HydrophobicContact CD2-CG 4.39Å; L31-M35 HydrophobicContact CD2-SD 3.77Å; L31-M35 WeakPolarHBondContact O-CG 3.43Å; L31-M35 PolarHBondContact O-N 3.14Å; L31-A49 HydrophobicContact CD1-CB 3.83Å; L31-L58 HydrophobicContact CD1-CD2 4.14Å
32N83.5Confident84.5Confident91 Ų9166.5 Ų66.549%0.48734%0.339SS..Hα-helixtrans-62.8-42177-80.5-22.9000112.8L28 I29 M35L28-N32 WeakPolarHBondContact O-CB 3Å; L28-N32 PolarHBondContact O-N 3.38Å; L28-N32 PolarHBondContact O-ND2 3.49Å; I29-N32 PolarHBondContact O-N 2.9Å; N32-M35 PolarHBondContact O-N 2.99Å
33A83.3Confident85.4Confident1 Ų160.8 Ų60.81%0.00831%0.312CS..Hα-helixtrans-65.4-43.417500000111.3I29 E30 L31 M35 K36 S37 L104 L106 F129 I131I29-A33 PolarHBondContact O-N 3.27Å; E30-A33 PolarHBondContact O-N 3.09Å; L31-A33 PolarHBondContact O-N 3.11Å; A33-M35 VanDerWaalsContact C-N 3.33Å; A33-M35 PolarHBondContact O-N 3.33Å; A33-K36 PolarHBondContact O-N 3.1Å; A33-K36 VanDerWaalsContact O-N 3.11Å; A33-S37 PolarHBondContact O-N 3.49Å; A33-S37 VanDerWaalsContact O-N 3.1Å; A33-L104 HydrophobicContact CB-CD1 4.37Å; A33-L106 HydrophobicContact CB-CD1 3.67Å; A33-F129 HydrophobicContact CB-CB 4.34Å; A33-F129 HydrophobicContact CB-CD2 4.21Å; A33-F129 HydrophobicContact CB-CG 4.34Å; A33-I131 HydrophobicContact CB-CD1 3.37Å
34S86.2Confident86.4Confident2 Ų258.4 Ų58.41%0.01430%0.297CS..Hα-helixtrans-58.4-44.8176.7-60.90000111.2E30 L31 K36 S37 F46E30-S34 VanDerWaalsContact O-CB 3.29Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 3.04Å; E30-S34 PolarHBondContact O-OG 3.19Å; L31-S34 WeakPolarHBondContact O-CB 3.4Å; L31-S34 PolarHBondContact O-N 2.97Å; S34-K36 PolarHBondContact O-N 3.36Å; S34-K36 VanDerWaalsContact O-N 3.11Å; S34-S37 VanDerWaalsContact O-CB 3.24Å; S34-S37 WeakPolarHBondContact O-CB 3.05Å; S34-S37 PolarHBondContact O-N 3.02Å; S34-S37 PolarHBondContact O-OG 2.91Å; S34-F46 WeakPolarHBondContact O-CB 3.48Å
35M88.3Confident87.2Confident121 Ų12159.7 Ų59.760%0.59630%0.302SS*.Hα-helixtrans-57.4-28.8177.5-75-179.869.800114.3L31 N32 A33 F46L31-M35 HydrophobicContact CD2-CG 4.39Å; L31-M35 HydrophobicContact CD2-SD 3.77Å; L31-M35 WeakPolarHBondContact O-CG 3.43Å; L31-M35 PolarHBondContact O-N 3.14Å; N32-M35 PolarHBondContact O-N 2.99Å; A33-M35 VanDerWaalsContact C-N 3.33Å; A33-M35 PolarHBondContact O-N 3.33Å; M35-F46 HydrophobicContact CG-CD1 4.04Å; M35-F46 HydrophobicContact CG-CE1 3.68Å
36K88.9Confident87.8Confident107 Ų10754.3 Ų54.347%0.46528%0.279SS..Hα-helixtrans-95.1-9.2179.3-65.9179.1172.1-172.80113.7A33 S34 G38 N39 Y99 L104A33-K36 PolarHBondContact O-N 3.1Å; A33-K36 VanDerWaalsContact O-N 3.11Å; S34-K36 PolarHBondContact O-N 3.36Å; S34-K36 VanDerWaalsContact O-N 3.11Å; K36-G38 PolarHBondContact O-N 3.37Å; K36-G38 VanDerWaalsContact O-N 3.14Å; K36-N39 PolarHBondContact O-N 3.01Å; K36-Y99 PolarHBondContact O-OH 2.65Å; K36-L104 HydrophobicContact CB-CD2 3.57Å; K36-L104 HydrophobicContact CD-CD2 3.34Å; K36-L104 HydrophobicContact CG-CD2 4.11Å
37S88.5Confident88.7Confident0 Ų052.6 Ų52.60%027%0.273CS..G310 helixtrans-55.1-32.1-178.863.60000113.8A33 S34 N39 C40 V44 F46A33-S37 PolarHBondContact O-N 3.49Å; A33-S37 VanDerWaalsContact O-N 3.1Å; S34-S37 VanDerWaalsContact O-CB 3.24Å; S34-S37 WeakPolarHBondContact O-CB 3.05Å; S34-S37 PolarHBondContact O-N 3.02Å; S34-S37 PolarHBondContact O-OG 2.91Å; S37-N39 PolarHBondContact O-N 3.01Å; S37-C40 PolarHBondContact O-N 3.18Å; S37-V44 VanDerWaalsContact CB-O 3.27Å; S37-V44 WeakPolarHBondContact CB-O 3.24Å; S37-V44 PolarHBondContact OG-O 3.43Å; S37-V44 VanDerWaalsContact OG-O 3.09Å; S37-F46 PolarHBondContact OG-N 2.92Å; S37-F46 VanDerWaalsContact OG-N 3.09Å
38G89.9Confident89.4Confident47 Ų4752.4 Ų52.449%0.48528%0.278SS..G310 helixtrans-62.4-13.3-178.200000115K36K36-G38 PolarHBondContact O-N 3.37Å; K36-G38 VanDerWaalsContact O-N 3.14Å
39N92.6Very high89.8Confident124 Ų12449.7 Ų49.766%0.66327%0.271SS*.G310 helixtrans-89.4-5.2176.9-61.5-28.2000113.2K36 S37 Y99K36-N39 PolarHBondContact O-N 3.01Å; S37-N39 PolarHBondContact O-N 3.01Å; N39-Y99 HydrophobicContact CB-CE2 4.15Å; N39-Y99 WeakPolarHBondContact CB-OH 3.27Å
40C95.4Very high90.3Very high8 Ų850.7 Ų50.75%0.05428%0.276CS..  trans-120.9119.9176.6-1780000109.9S37 F42 M43 Y99S37-C40 PolarHBondContact O-N 3.18Å; C40-F42 PolarHBondContact O-N 3.18Å; C40-F42 VanDerWaalsContact O-N 3.12Å; C40-M43 HydrophobicContact CB-CB 4.16Å; C40-M43 HydrophobicContact CB-CG 3.93Å; C40-M43 HydrophobicContact CB-SD 3.76Å; C40-M43 PolarHBondContact O-N 3.23Å; C40-Y99 HydrophobicContact CB-CD1 3.74Å; C40-Y99 HydrophobicContact CB-CD2 3.92Å; C40-Y99 HydrophobicContact CB-CE1 4.07Å; C40-Y99 HydrophobicContact CB-CE2 4.25Å; C40-Y99 HydrophobicContact CB-CG 3.69Å
41P96.9Very high90.7Very high90 Ų9055.9 Ų55.958%0.58430%0.298SS*.THydrogen-bonded Turntrans-66.6-14.2-179.627.1-34.3000113.6K125P41-K125 VanDerWaalsContact O-CE 3.23Å; P41-K125 WeakPolarHBondContact O-CE 3.48Å
42F97.8Very high90.9Very high44 Ų4460.3 Ų60.319%0.19331%0.312CS..THydrogen-bonded Turntrans-101.99-179.2-49.2-66.2000113.4C40 F91 S92 E95 A96 K125 I126C40-F42 PolarHBondContact O-N 3.18Å; C40-F42 VanDerWaalsContact O-N 3.12Å; F42-F91 HydrophobicContact CE1-CD1 4.49Å; F42-F91 HydrophobicContact CE1-CE1 4.28Å; F42-F91 HydrophobicContact CE2-CE1 4.13Å; F42-F91 HydrophobicContact CZ-CD1 4.24Å; F42-F91 AromaticContact CZ-CE1 3.62Å; F42-F91 HydrophobicContact CZ-CE1 3.62Å; F42-S92 VanDerWaalsContact CB-O 3.28Å; F42-S92 WeakPolarHBondContact CB-O 3.47Å; F42-E95 HydrophobicContact CD2-CB 3.35Å; F42-E95 HydrophobicContact CD2-CG 4.15Å; F42-E95 HydrophobicContact CE2-CB 3.62Å; F42-E95 HydrophobicContact CE2-CG 3.88Å; F42-E95 HydrophobicContact CG-CB 4.21Å; F42-A96 HydrophobicContact CB-CB 3.91Å; F42-A96 WeakPolarHBondContact O-CB 3.48Å; F42-K125 CarbonylContact O-C 3.44Å; F42-K125 VanDerWaalsContact O-CA 3.26Å; F42-K125 WeakPolarHBondContact O-CA 3.5Å; F42-I126 PolarHBondContact O-N 3.47Å
43M95.6Very high91.1Very high1 Ų162.9 Ų62.91%0.00532%0.321CS..BIsolated β-bridgetrans-112.8142.8171-68.717475.700109.7C40 K45 A96 Y99 M100 L104 I126 F129C40-M43 HydrophobicContact CB-CB 4.16Å; C40-M43 HydrophobicContact CB-CG 3.93Å; C40-M43 HydrophobicContact CB-SD 3.76Å; C40-M43 PolarHBondContact O-N 3.23Å; M43-K45 PolarHBondContact O-N 3.46Å; M43-K45 VanDerWaalsContact O-N 3.16Å; M43-A96 HydrophobicContact CG-CB 4.04Å; M43-Y99 HydrophobicContact SD-CD1 3.36Å; M43-Y99 WeakPolarHBondContact SD-CD1 3.36Å; M43-Y99 HydrophobicContact SD-CE1 3.81Å; M43-Y99 HydrophobicContact SD-CG 4.34Å; M43-M100 HydrophobicContact CE-CG 3.81Å; M43-M100 HydrophobicContact CE-SD 4.36Å; M43-M100 HydrophobicContact SD-CG 4.07Å; M43-L104 HydrophobicContact CE-CD1 4.05Å; M43-I126 HydrophobicContact CG-CG2 3.97Å; M43-F129 HydrophobicContact CB-CE1 4.28Å; M43-F129 HydrophobicContact CB-CZ 4.15Å; M43-F129 HydrophobicContact CE-CD1 3.75Å; M43-F129 HydrophobicContact CE-CE1 3.11Å; M43-F129 HydrophobicContact CE-CE2 4.2Å; M43-F129 HydrophobicContact CE-CZ 3.39Å; M43-F129 HydrophobicContact CG-CE1 4.1Å; M43-F129 HydrophobicContact CG-CZ 4.43Å; M43-F129 HydrophobicContact SD-CE1 4.4Å
44V95.4Very high91.2Very high4 Ų464.5 Ų64.52%0.02434%0.338CS..PPolyproline II helixtrans-61.5119.4175.6167.80000109.7S37 F46 M60 E61 M63 L117 K125 I126 C127S37-V44 VanDerWaalsContact CB-O 3.27Å; S37-V44 WeakPolarHBondContact CB-O 3.24Å; S37-V44 PolarHBondContact OG-O 3.43Å; S37-V44 VanDerWaalsContact OG-O 3.09Å; V44-F46 PolarHBondContact O-N 3.5Å; V44-M60 HydrophobicContact CG1-CB 3.84Å; V44-M60 HydrophobicContact CG1-CG 4.41Å; V44-M60 HydrophobicContact CG1-SD 4.21Å; V44-E61 VanDerWaalsContact CA-OE1 3.29Å; V44-E61 WeakPolarHBondContact CA-OE1 3.48Å; V44-E61 HydrophobicContact CB-CG 4.49Å; V44-E61 HydrophobicContact CG1-CG 3.83Å; V44-M63 HydrophobicContact CG2-CG 4.43Å; V44-L117 HydrophobicContact CG2-CD1 3.94Å; V44-L117 HydrophobicContact CG2-CG 4.49Å; V44-K125 HydrophobicContact CG2-CB 3.83Å; V44-I126 PolarHBondContact N-O 2.86Å; V44-C127 HydrophobicContact CB-CB 4.08Å; V44-C127 HydrophobicContact CG2-CB 3.65Å
45K94.5Very high91.2Very high97 Ų9765 Ų6542%0.42234%0.341SS..PPolyproline II helixtrans-63.9124.9-179.7-177.8173.2-179.1174.10110.5M43 Y47 M60 E61M43-K45 PolarHBondContact O-N 3.46Å; M43-K45 VanDerWaalsContact O-N 3.16Å; K45-Y47 HydrophobicContact CD-CD1 4.33Å; K45-Y47 HydrophobicContact CD-CE1 3.73Å; K45-Y47 HydrophobicContact CG-CD1 4.33Å; K45-Y47 HydrophobicContact CG-CE1 4.04Å; K45-M60 CarbonylContact O-C 3.55Å; K45-M60 VanDerWaalsContact O-CA 3.27Å; K45-M60 WeakPolarHBondContact O-CA 3.42Å; K45-E61 HydrophobicContact CB-CB 4.22Å; K45-E61 HydrophobicContact CB-CG 4.06Å; K45-E61 PolarHBondContact N-OE1 3.12Å; K45-E61 PolarHBondContact O-N 3.22Å
46F92.6Very high91Very high28 Ų2860.3 Ų60.312%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-87.1133168.3-179.2-109.1000111.1S34 M35 S37 V44 G48 A49 L58 M60S34-F46 WeakPolarHBondContact O-CB 3.48Å; M35-F46 HydrophobicContact CG-CD1 4.04Å; M35-F46 HydrophobicContact CG-CE1 3.68Å; S37-F46 PolarHBondContact OG-N 2.92Å; S37-F46 VanDerWaalsContact OG-N 3.09Å; V44-F46 PolarHBondContact O-N 3.5Å; F46-G48 VanDerWaalsContact CE1-CA 3.49Å; F46-G48 WeakPolarHBondContact CE2-O 3.44Å; F46-G48 VanDerWaalsContact CZ-CA 3.44Å; F46-G48 WeakPolarHBondContact CZ-O 3.46Å; F46-A49 HydrophobicContact CE2-CB 4.32Å; F46-A49 HydrophobicContact CZ-CB 3.81Å; F46-L58 HydrophobicContact CE2-CB 4.06Å; F46-L58 HydrophobicContact CE2-CD2 3.9Å; F46-L58 HydrophobicContact CE2-CG 4.47Å; F46-L58 HydrophobicContact CZ-CD2 4.45Å; F46-M60 HydrophobicContact CD2-CG 4.37Å
47Y92.2Very high91.1Very high105 Ų10557.4 Ų57.441%0.41231%0.305SS..EExtended strand (participates in β ladder)trans-98.6-32.6174.6-60.5-55000112.6F10 K45 C59 M60 E61F10-Y47 HydrophobicContact CB-CD2 4Å; F10-Y47 HydrophobicContact CB-CE2 3.97Å; K45-Y47 HydrophobicContact CD-CD1 4.33Å; K45-Y47 HydrophobicContact CD-CE1 3.73Å; K45-Y47 HydrophobicContact CG-CD1 4.33Å; K45-Y47 HydrophobicContact CG-CE1 4.04Å; Y47-C59 PolarHBondContact N-O 3.16Å; Y47-M60 VanDerWaalsContact CE2-C 3.41Å; Y47-E61 HydrophobicContact CE2-CB 4.15Å; Y47-E61 VanDerWaalsContact CE2-N 3.31Å; Y47-E61 WeakPolarHBondContact OH-CB 3.18Å
48G91.4Very high91.1Very high24 Ų2457.5 Ų57.525%0.24731%0.305CS..EExtended strand (participates in β ladder)trans164.3168.8-176.900000112.6F46 C59F46-G48 VanDerWaalsContact CE1-CA 3.49Å; F46-G48 WeakPolarHBondContact CE2-O 3.44Å; F46-G48 VanDerWaalsContact CZ-CA 3.44Å; F46-G48 WeakPolarHBondContact CZ-O 3.46Å; G48-C59 PolarHBondContact N-O 3.3Å; G48-C59 WeakPolarHBondContact O-CB 2.96Å; G48-C59 PolarHBondContact O-N 2.76Å
49A89.7Confident91.2Very high50 Ų5056 Ų5641%0.41329%0.288SS..EExtended strand (participates in β ladder)trans-120.2148.9173.900000110.1L31 F46 V56 W57 L58L31-A49 HydrophobicContact CD1-CB 3.83Å; F46-A49 HydrophobicContact CE2-CB 4.32Å; F46-A49 HydrophobicContact CZ-CB 3.81Å; A49-V56 HydrophobicContact CB-CG1 4.25Å; A49-W57 CarbonylContact C-O 3.51Å; A49-W57 VanDerWaalsContact CA-O 3.27Å; A49-W57 WeakPolarHBondContact CA-O 3.45Å; A49-L58 HydrophobicContact CB-CD2 3.76Å
50M90.4Very high91.3Very high51 Ų5151.2 Ų51.225%0.25126%0.261SS..EExtended strand (participates in β ladder)trans-138144.9175.758.3-163-76.200110R52 W57M50-R52 VanDerWaalsContact CE-CD 3.43Å; M50-R52 HydrophobicContact CE-CG 3.77Å; M50-W57 HydrophobicContact CG-CB 3.65Å; M50-W57 HydrophobicContact CG-CG 4.44Å; M50-W57 PolarHBondContact N-O 2.91Å; M50-W57 PolarHBondContact O-N 3.5Å
51F87.9Confident91.3Very high139 Ų13951.7 Ų51.761%0.6126%0.263SS*.EExtended strand (participates in β ladder)trans-95120.8173.8-172.4-103.9000109.3V17 G54 D55 V56V17-F51 HydrophobicContact CG2-CE2 3.99Å; F51-G54 VanDerWaalsContact CE2-O 3.29Å; F51-G54 WeakPolarHBondContact CE2-O 3.44Å; F51-D55 CarbonylContact C-O 3.5Å; F51-D55 WeakPolarHBondContact CA-O 3.29Å; F51-D55 WeakPolarHBondContact CD2-O 3.41Å; F51-V56 HydrophobicContact CD2-CG2 3.91Å
52R87.9Confident91.3Very high132 Ų13249.6 Ų49.650%0.49825%0.253SS..EExtended strand (participates in β ladder)trans-143.6134178.4-74.1-149.9167.7172.5-1110.9M50 G54 D55 W57M50-R52 VanDerWaalsContact CE-CD 3.43Å; M50-R52 HydrophobicContact CE-CG 3.77Å; R52-G54 PolarHBondContact O-N 2.73Å; R52-D55 PolarHBondContact N-O 3.32Å; R52-D55 PolarHBondContact O-N 2.9Å; R52-D55 VanDerWaalsContact O-O 3.09Å; R52-W57 HydrophobicContact CB-CD2 4.4Å; R52-W57 HydrophobicContact CB-CZ2 4.46Å
53E87.2Confident91.2Very high145 Ų14549 Ų4968%0.67825%0.251SS*.THydrogen-bonded Turntrans56.834.5175.8-55.4173.5-179.600113.5R14 D55R14-E53 IonicContact CZ-OE2 2.91Å; R14-E53 IonicContact NH1-OE2 2.74Å; R14-E53 PolarHBondContact NH1-OE2 2.91Å; R14-E53 IonicContact NH2-OE2 3.18Å; R14-E53 PolarHBondContact NH2-OE2 3.02Å; E53-D55 PolarHBondContact O-N 3.46Å
54G85.1Confident91.3Very high36 Ų3653.5 Ų53.537%0.37128%0.275SS..THydrogen-bonded Turntrans82.2-5.1-176.300000114.4V17 F51 R52V17-G54 WeakPolarHBondContact CB-O 3.32Å; V17-G54 WeakPolarHBondContact CG2-O 3.31Å; F51-G54 VanDerWaalsContact CE2-O 3.29Å; F51-G54 WeakPolarHBondContact CE2-O 3.44Å; R52-G54 PolarHBondContact O-N 2.73Å
55D86.2Confident91.4Very high13 Ų1355.5 Ų55.57%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-115.1158-175.1-63.9-30.5000112R14 I15 H16 F51 R52 E53R14-D55 HydrophobicContact CG-CB 4.04Å; R14-D55 IonicContact CZ-OD2 3.71Å; R14-D55 IonicContact NE-OD2 3.95Å; R14-D55 PolarHBondContact NE-OD2 2.7Å; R14-D55 IonicContact NH2-OD2 3.22Å; R14-D55 PolarHBondContact NH2-OD2 2.97Å; I15-D55 WeakPolarHBondContact O-CB 3.29Å; H16-D55 VanDerWaalsContact CA-OD1 3.28Å; H16-D55 WeakPolarHBondContact CA-OD1 3.49Å; H16-D55 IonicContact CE1-OD1 2.76Å; H16-D55 IonicContact CE1-OD2 2.7Å; H16-D55 PolarHBondContact CE1-OD2 3.06Å; H16-D55 IonicContact CG-OD1 2.69Å; H16-D55 IonicContact ND1-OD1 3.57Å; H16-D55 PolarHBondContact ND1-OD1 2.89Å; H16-D55 IonicContact ND1-OD2 3.61Å; H16-D55 PolarHBondContact ND1-OD2 3.25Å; F51-D55 CarbonylContact C-O 3.5Å; F51-D55 WeakPolarHBondContact CA-O 3.29Å; F51-D55 WeakPolarHBondContact CD2-O 3.41Å; R52-D55 PolarHBondContact N-O 3.32Å; R52-D55 PolarHBondContact O-N 2.9Å; R52-D55 VanDerWaalsContact O-O 3.09Å; E53-D55 PolarHBondContact O-N 3.46Å
56V85.2Confident91.6Very high21 Ų2151.3 Ų51.313%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-99.2130.3172.1171.20000109.7I15 V17 M27 A49 F51 L58I15-V56 PolarHBondContact N-O 2.74Å; I15-V56 PolarHBondContact O-N 3.45Å; V17-V56 HydrophobicContact CG2-CG2 4.05Å; M27-V56 HydrophobicContact CE-CB 3.17Å; M27-V56 HydrophobicContact CE-CG1 3.62Å; M27-V56 HydrophobicContact CE-CG2 3.18Å; A49-V56 HydrophobicContact CB-CG1 4.25Å; F51-V56 HydrophobicContact CD2-CG2 3.91Å; V56-L58 HydrophobicContact CG1-CD2 3.77Å
57W90.2Very high91.9Very high46 Ų4651 Ų5117%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-110.5118-179.8-68.834.3000107.4V12 K13 A49 M50 R52V12-W57 HydrophobicContact CG1-CB 3.86Å; V12-W57 HydrophobicContact CG1-CD2 4.01Å; V12-W57 HydrophobicContact CG1-CE3 3.63Å; V12-W57 HydrophobicContact CG1-CG 4.16Å; V12-W57 HydrophobicContact CG1-CZ3 4.43Å; K13-W57 WeakPolarHBondContact O-CA 3.24Å; A49-W57 CarbonylContact C-O 3.51Å; A49-W57 VanDerWaalsContact CA-O 3.27Å; A49-W57 WeakPolarHBondContact CA-O 3.45Å; M50-W57 HydrophobicContact CG-CB 3.65Å; M50-W57 HydrophobicContact CG-CG 4.44Å; M50-W57 PolarHBondContact N-O 2.91Å; M50-W57 PolarHBondContact O-N 3.5Å; R52-W57 HydrophobicContact CB-CD2 4.4Å; R52-W57 HydrophobicContact CB-CZ2 4.46Å
58L88.8Confident92.1Very high2 Ų247.7 Ų47.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-93.9117.2175-53.4-175.1000108.9V12 K13 I15 L31 F46 A49 V56V12-L58 WeakPolarHBondContact CA-O 3.29Å; K13-L58 HydrophobicContact CB-CB 4.35Å; K13-L58 PolarHBondContact N-O 2.74Å; K13-L58 PolarHBondContact O-N 2.74Å; I15-L58 HydrophobicContact CD1-CD1 3.58Å; I15-L58 HydrophobicContact CD1-CG 3.97Å; L31-L58 HydrophobicContact CD1-CD2 4.14Å; F46-L58 HydrophobicContact CE2-CB 4.06Å; F46-L58 HydrophobicContact CE2-CD2 3.9Å; F46-L58 HydrophobicContact CE2-CG 4.47Å; F46-L58 HydrophobicContact CZ-CD2 4.45Å; A49-L58 HydrophobicContact CB-CD2 3.76Å; V56-L58 HydrophobicContact CG1-CD2 3.77Å
59C92.7Very high92.4Very high16 Ų1652.8 Ų52.811%0.10828%0.275CS..EExtended strand (participates in β ladder)trans-90.2121.4175.8-64.70000109.4F10 Y47 G48F10-C59 HydrophobicContact CD2-CB 4.15Å; Y47-C59 PolarHBondContact N-O 3.16Å; G48-C59 PolarHBondContact N-O 3.3Å; G48-C59 WeakPolarHBondContact O-CB 2.96Å; G48-C59 PolarHBondContact O-N 2.76Å
60M94.4Very high92.8Very high23 Ų2352.9 Ų52.911%0.11327%0.266CS..EExtended strand (participates in β ladder)trans-134.4161.3-172.8-59179.8-59.300110.9F10 A11 K13 V44 K45 F46 Y47 A62F10-M60 CarbonylContact C-O 3.43Å; F10-M60 WeakPolarHBondContact CA-O 3.36Å; F10-M60 WeakPolarHBondContact CB-O 3.27Å; A11-M60 PolarHBondContact N-O 3.04Å; A11-M60 PolarHBondContact O-N 3.46Å; K13-M60 HydrophobicContact CB-CE 3.82Å; V44-M60 HydrophobicContact CG1-CB 3.84Å; V44-M60 HydrophobicContact CG1-CG 4.41Å; V44-M60 HydrophobicContact CG1-SD 4.21Å; K45-M60 CarbonylContact O-C 3.55Å; K45-M60 VanDerWaalsContact O-CA 3.27Å; K45-M60 WeakPolarHBondContact O-CA 3.42Å; F46-M60 HydrophobicContact CD2-CG 4.37Å; Y47-M60 VanDerWaalsContact CE2-C 3.41Å; M60-A62 PolarHBondContact O-N 2.93Å
61E95.1Very high93.1Very high19 Ų1953.5 Ų53.59%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-56.1141.3171.968.3-179.8142.300111.8V44 K45 Y47 M63 K125V44-E61 VanDerWaalsContact CA-OE1 3.29Å; V44-E61 WeakPolarHBondContact CA-OE1 3.48Å; V44-E61 HydrophobicContact CB-CG 4.49Å; V44-E61 HydrophobicContact CG1-CG 3.83Å; K45-E61 HydrophobicContact CB-CB 4.22Å; K45-E61 HydrophobicContact CB-CG 4.06Å; K45-E61 PolarHBondContact N-OE1 3.12Å; K45-E61 PolarHBondContact O-N 3.22Å; Y47-E61 HydrophobicContact CE2-CB 4.15Å; Y47-E61 VanDerWaalsContact CE2-N 3.31Å; Y47-E61 WeakPolarHBondContact OH-CB 3.18Å; E61-M63 HydrophobicContact CG-SD 4.4Å; E61-K125 WeakPolarHBondContact OE1-CD 3.23Å; E61-K125 WeakPolarHBondContact OE1-CE 3.36Å; E61-K125 IonicContact OE1-NZ 2.68Å; E61-K125 PolarHBondContact OE1-NZ 3.43Å; E61-K125 IonicContact OE2-NZ 3.48Å; E61-K125 PolarHBondContact OE2-NZ 2.91Å
62A96Very high93.6Very high45 Ų4553.3 Ų53.337%0.37226%0.261SS..  trans-82129.8175.600000110I9 M60I9-A62 HydrophobicContact CG2-CB 4.04Å; M60-A62 PolarHBondContact O-N 2.93Å
63M97.6Very high94Very high33 Ų3351.5 Ų51.516%0.16326%0.259CS..  trans-112156.1171.7-57.6-68.1-74.900108.9V44 E61 L117 N119 K125V44-M63 HydrophobicContact CG2-CG 4.43Å; E61-M63 HydrophobicContact CG-SD 4.4Å; M63-L117 HydrophobicContact CB-CB 3.67Å; M63-L117 HydrophobicContact CB-CD1 3.95Å; M63-L117 HydrophobicContact CB-CG 4.43Å; M63-L117 HydrophobicContact CE-CB 4.07Å; M63-L117 WeakPolarHBondContact CE-O 3.37Å; M63-L117 HydrophobicContact CG-CB 3.65Å; M63-L117 HydrophobicContact CG-CD1 3.82Å; M63-L117 HydrophobicContact CG-CG 4.41Å; M63-N119 HydrophobicContact CE-CB 4.05Å; M63-N119 HydrophobicContact SD-CB 4.16Å; M63-K125 HydrophobicContact CE-CB 4.06Å; M63-K125 HydrophobicContact CE-CD 4.15Å; M63-K125 HydrophobicContact CE-CG 3.97Å; M63-K125 HydrophobicContact SD-CD 4.19Å
64D97.5Very high94.5Very high94 Ų9445.2 Ų45.250%0.50323%0.231SC..SBendtrans-81-35.7-172.6-70.2-77.9000112.9L118 N119 R120D64-L118 PolarHBondContact N-O 2.86Å; D64-N119 WeakPolarHBondContact OD2-CA 3.42Å; D64-N119 VanDerWaalsContact OD2-CB 3.24Å; D64-N119 WeakPolarHBondContact OD2-CB 3.26Å; D64-R120 IonicContact OD1-NE 3.54Å; D64-R120 PolarHBondContact OD1-NE 3.3Å; D64-R120 WeakPolarHBondContact OD2-CG 3.44Å; D64-R120 PolarHBondContact OD2-N 3.42Å
65T97.6Very high95.1Very high46 Ų4648.8 Ų48.828%0.28224%0.241SC..EExtended strand (participates in β ladder)trans-158.2171.9-178.9-1650000111.5K69 F70 L117 L118T65-K69 WeakPolarHBondContact OG1-CB 3.24Å; T65-F70 HydrophobicContact CG2-CB 4.12Å; T65-F70 HydrophobicContact CG2-CD2 4.47Å; T65-L117 CarbonylContact O-C 3.59Å; T65-L117 WeakPolarHBondContact O-CA 3.31Å; T65-L118 HydrophobicContact CG2-CB 3.99Å; T65-L118 HydrophobicContact CG2-CD1 4.2Å; T65-L118 PolarHBondContact N-O 3.39Å; T65-L118 VanDerWaalsContact N-O 3.1Å; T65-L118 PolarHBondContact O-N 2.93Å
66S97.9Very high95.6Very high10 Ų1054.7 Ų54.77%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-103.3155.1169.851.50000110.5D68 K69 F70 I116S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.31Å; S66-D68 PolarHBondContact OG-OD1 3.05Å; S66-K69 PolarHBondContact O-N 3.41Å; S66-K69 VanDerWaalsContact O-N 3.17Å; S66-K69 WeakPolarHBondContact OG-CD 3.47Å; S66-K69 WeakPolarHBondContact OG-CG 3.42Å; S66-F70 WeakPolarHBondContact O-CB 3.38Å; S66-F70 PolarHBondContact O-N 3.28Å; S66-I116 CarbonylContact C-O 3.6Å; S66-I116 WeakPolarHBondContact CA-O 3.44Å
67L98Very high96.2Very high20 Ų2058.6 Ų58.611%0.10529%0.292CS..Hα-helixtrans-60.9-33.8-178.8-178.165.4000111.2K69 F70 Y71 F85 V89 P113 I116 L118L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 2.7Å; L67-F70 HydrophobicContact CD1-CD1 4.37Å; L67-F70 PolarHBondContact O-N 3.1Å; L67-Y71 WeakPolarHBondContact O-CD1 3.44Å; L67-Y71 PolarHBondContact O-N 3.07Å; L67-F85 HydrophobicContact CD1-CE1 4.22Å; L67-V89 HydrophobicContact CD1-CG2 4.46Å; L67-V89 HydrophobicContact CD2-CG1 3.79Å; L67-P113 HydrophobicContact CB-CB 4.24Å; L67-P113 WeakPolarHBondContact CB-O 3.49Å; L67-P113 HydrophobicContact CD2-CB 4.34Å; L67-P113 HydrophobicContact CG-CB 4.3Å; L67-P113 PolarHBondContact N-O 3.31Å; L67-I116 HydrophobicContact CB-CB 3.99Å; L67-I116 HydrophobicContact CB-CG2 4.03Å; L67-I116 HydrophobicContact CD2-CB 4.35Å; L67-I116 HydrophobicContact CD2-CD1 3.99Å; L67-I116 HydrophobicContact CD2-CG2 4.17Å; L67-I116 PolarHBondContact N-O 2.85Å; L67-L118 HydrophobicContact CD1-CD1 4.16Å
68D97.3Very high96.5Very high36 Ų3663.6 Ų63.619%0.19332%0.322CS..Hα-helixtrans-62.2-39.9176.975.3-57.8000113.6S66 Y71 R72 P113 S114S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.31Å; S66-D68 PolarHBondContact OG-OD1 3.05Å; D68-Y71 VanDerWaalsContact CA-CD1 3.49Å; D68-Y71 HydrophobicContact CB-CE1 3.98Å; D68-Y71 WeakPolarHBondContact O-CE1 3.24Å; D68-R72 WeakPolarHBondContact O-CD 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.11Å; D68-R72 PolarHBondContact O-N 2.69Å; D68-P113 HydrophobicContact CB-CB 3.79Å; D68-P113 PolarHBondContact N-O 2.89Å; D68-S114 VanDerWaalsContact OD1-CA 3.32Å; D68-S114 WeakPolarHBondContact OD1-CA 3.2Å
69K98.2Very high96.9Very high131 Ų13169.5 Ų69.557%0.5735%0.35SS*.Hα-helixtrans-73.5-41.3175.2-67.4176.7-174.8174.30111T65 S66 L67 R72 M73T65-K69 WeakPolarHBondContact OG1-CB 3.24Å; S66-K69 PolarHBondContact O-N 3.41Å; S66-K69 VanDerWaalsContact O-N 3.17Å; S66-K69 WeakPolarHBondContact OG-CD 3.47Å; S66-K69 WeakPolarHBondContact OG-CG 3.42Å; L67-K69 VanDerWaalsContact C-N 3.35Å; L67-K69 PolarHBondContact O-N 2.7Å; K69-R72 PolarHBondContact O-N 3.48Å; K69-M73 WeakPolarHBondContact O-CB 3.4Å; K69-M73 PolarHBondContact O-N 2.73Å
70F97.9Very high97.1Very high52 Ų5274 Ų7423%0.22838%0.381CS..Hα-helixtrans-62-48.5-179.5-177.7-101.1000112T65 S66 L67 R72 M73 C74 I81 F85 L118T65-F70 HydrophobicContact CG2-CB 4.12Å; T65-F70 HydrophobicContact CG2-CD2 4.47Å; S66-F70 WeakPolarHBondContact O-CB 3.38Å; S66-F70 PolarHBondContact O-N 3.28Å; L67-F70 HydrophobicContact CD1-CD1 4.37Å; L67-F70 PolarHBondContact O-N 3.1Å; F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.9Å; F70-M73 HydrophobicContact CD2-CE 3.75Å; F70-M73 HydrophobicContact CE2-CE 3.79Å; F70-M73 WeakPolarHBondContact O-CB 3.5Å; F70-M73 PolarHBondContact O-N 2.91Å; F70-C74 PolarHBondContact O-N 2.66Å; F70-C74 PolarHBondContact O-SG 3.32Å; F70-C74 VanDerWaalsContact O-SG 3.39Å; F70-I81 HydrophobicContact CD1-CD1 4.44Å; F70-I81 HydrophobicContact CE1-CD1 4.41Å; F70-F85 HydrophobicContact CD1-CE1 4.16Å; F70-F85 HydrophobicContact CD1-CZ 4.25Å; F70-F85 HydrophobicContact CE1-CD1 4.42Å; F70-F85 AromaticContact CE1-CE1 3.79Å; F70-F85 HydrophobicContact CE1-CE1 3.79Å; F70-F85 HydrophobicContact CE1-CE2 4.5Å; F70-F85 AromaticContact CE1-CZ 3.84Å; F70-F85 HydrophobicContact CE1-CZ 3.84Å; F70-F85 HydrophobicContact CZ-CZ 4.36Å; F70-L118 HydrophobicContact CB-CD1 3.69Å; F70-L118 HydrophobicContact CD1-CD1 3.96Å; F70-L118 HydrophobicContact CD2-CD1 4.27Å; F70-L118 HydrophobicContact CG-CD1 3.7Å
71Y96.6Very high97.1Very high64 Ų6474.7 Ų74.725%0.25139%0.385SS..Hα-helixtrans-68.1-34-179.184.8-110.9000112.1L67 D68 C74 I75 P113L67-Y71 WeakPolarHBondContact O-CD1 3.44Å; L67-Y71 PolarHBondContact O-N 3.07Å; D68-Y71 VanDerWaalsContact CA-CD1 3.49Å; D68-Y71 HydrophobicContact CB-CE1 3.98Å; D68-Y71 WeakPolarHBondContact O-CE1 3.24Å; Y71-C74 WeakPolarHBondContact O-CB 3.34Å; Y71-C74 PolarHBondContact O-N 3.38Å; Y71-I75 HydrophobicContact CD2-CD1 3.78Å; Y71-I75 HydrophobicContact CE2-CD1 4.09Å; Y71-I75 WeakPolarHBondContact O-CG1 3.37Å; Y71-I75 PolarHBondContact O-N 2.92Å; Y71-P113 HydrophobicContact CD1-CB 4.45Å; Y71-P113 HydrophobicContact CE1-CB 4.15Å; Y71-P113 HydrophobicContact CE1-CG 4.48Å
72R97.6Very high97.2Very high136 Ų13677.9 Ų77.951%0.51341%0.407SS..Hα-helixtrans-62.6-45.6173.9-73.8174.9-168.8-81.8-0111.2D68 K69 F70 C74 I75 D76D68-R72 WeakPolarHBondContact O-CD 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.11Å; D68-R72 PolarHBondContact O-N 2.69Å; K69-R72 PolarHBondContact O-N 3.48Å; F70-R72 VanDerWaalsContact C-N 3.32Å; F70-R72 PolarHBondContact O-N 2.9Å; R72-C74 VanDerWaalsContact C-N 3.28Å; R72-C74 PolarHBondContact O-N 2.97Å; R72-I75 WeakPolarHBondContact O-CB 3.45Å; R72-I75 PolarHBondContact O-N 2.79Å; R72-I75 VanDerWaalsContact O-N 3.1Å; R72-D76 VanDerWaalsContact O-CG 3.24Å; R72-D76 PolarHBondContact O-N 3.16Å
73M97.6Very high97.2Very high93 Ų9383.6 Ų83.646%0.45843%0.426SS..Hα-helixtrans-57.2-41.2174.1-179.2-169.27300111.9K69 F70 D76 L77K69-M73 WeakPolarHBondContact O-CB 3.4Å; K69-M73 PolarHBondContact O-N 2.73Å; F70-M73 HydrophobicContact CD2-CE 3.75Å; F70-M73 HydrophobicContact CE2-CE 3.79Å; F70-M73 WeakPolarHBondContact O-CB 3.5Å; F70-M73 PolarHBondContact O-N 2.91Å; M73-D76 PolarHBondContact O-N 3.07Å; M73-L77 HydrophobicContact CG-CD1 3.97Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.25Å; M73-L77 WeakPolarHBondContact O-CG 3.12Å; M73-L77 PolarHBondContact O-N 2.98Å
74C97.2Very high97.2Very high13 Ų1389.2 Ų89.29%0.08845%0.45CS..Hα-helixtrans-61.4-44.8174.9-65.80000112.1F70 Y71 R72 L77 N78 H79 I81F70-C74 PolarHBondContact O-N 2.66Å; F70-C74 PolarHBondContact O-SG 3.32Å; F70-C74 VanDerWaalsContact O-SG 3.39Å; Y71-C74 WeakPolarHBondContact O-CB 3.34Å; Y71-C74 PolarHBondContact O-N 3.38Å; R72-C74 VanDerWaalsContact C-N 3.28Å; R72-C74 PolarHBondContact O-N 2.97Å; C74-L77 CarbonylContact O-C 3.49Å; C74-L77 PolarHBondContact O-N 2.93Å; C74-N78 PolarHBondContact O-N 2.81Å; C74-N78 VanDerWaalsContact O-N 3.16Å; C74-H79 CarbonylContact C-O 3.48Å; C74-H79 PolarHBondContact O-N 3.19Å; C74-I81 HydrophobicContact CB-CG1 4.11Å
75I96.8Very high97.2Very high112 Ų11287.4 Ų87.457%0.57444%0.438SS*.Hα-helixtrans-61.8-46.5177.3-67.1168000111Y71 R72 L77 N78Y71-I75 HydrophobicContact CD2-CD1 3.78Å; Y71-I75 HydrophobicContact CE2-CD1 4.09Å; Y71-I75 WeakPolarHBondContact O-CG1 3.37Å; Y71-I75 PolarHBondContact O-N 2.92Å; R72-I75 WeakPolarHBondContact O-CB 3.45Å; R72-I75 PolarHBondContact O-N 2.79Å; R72-I75 VanDerWaalsContact O-N 3.1Å; I75-L77 PolarHBondContact O-N 2.65Å; I75-N78 WeakPolarHBondContact O-CA 3.28Å; I75-N78 PolarHBondContact O-N 3.31Å
76D97.9Very high97.1Very high137 Ų13789.2 Ų89.273%0.73345%0.445SS*.Hα-helixtrans-62.8-29.5-179.9-64.6-20.3000111.9R72 M73 N78R72-D76 VanDerWaalsContact O-CG 3.24Å; R72-D76 PolarHBondContact O-N 3.16Å; M73-D76 PolarHBondContact O-N 3.07Å; D76-N78 VanDerWaalsContact C-N 3.32Å
77L97.7Very high97.1Very high102 Ų10291.7 Ų91.753%0.53446%0.462SS..THydrogen-bonded Turntrans-88.45.5173.8-65.3173.7000113.5M73 C74 I75 H79M73-L77 HydrophobicContact CG-CD1 3.97Å; M73-L77 WeakPolarHBondContact O-CB 3.44Å; M73-L77 VanDerWaalsContact O-CG 3.25Å; M73-L77 WeakPolarHBondContact O-CG 3.12Å; M73-L77 PolarHBondContact O-N 2.98Å; C74-L77 CarbonylContact O-C 3.49Å; C74-L77 PolarHBondContact O-N 2.93Å; I75-L77 PolarHBondContact O-N 2.65Å; L77-H79 PolarHBondContact O-CD2 3.49Å; L77-H79 PolarHBondContact O-N 2.94Å
78N97.1Very high97.1Very high151 Ų15196.7 Ų96.781%0.80748%0.48SS*.THydrogen-bonded Turntrans54.236.4-176.3-161.953000113.4C74 I75 D76C74-N78 PolarHBondContact O-N 2.81Å; C74-N78 VanDerWaalsContact O-N 3.16Å; I75-N78 WeakPolarHBondContact O-CA 3.28Å; I75-N78 PolarHBondContact O-N 3.31Å; D76-N78 VanDerWaalsContact C-N 3.32Å
79H97.3Very high97.2Very high127 Ų12795.5 Ų95.559%0.58847%0.474SS*.  trans-108.2138.2178.1-72.3-177.7000110.8C74 L77C74-H79 CarbonylContact C-O 3.48Å; C74-H79 PolarHBondContact O-N 3.19Å; L77-H79 PolarHBondContact O-CD2 3.49Å; L77-H79 PolarHBondContact O-N 2.94Å
80S95.2Very high97.2Very high109 Ų10991.8 Ų91.876%0.76247%0.467SS*.PPolyproline II helixtrans-82.1150.2166.458.60000110.7
81I95.5Very high97.2Very high38 Ų3894.5 Ų94.520%0.19548%0.479CS..PPolyproline II helixtrans-83.8124.3171.8-58.7178.3000107.9F70 C74 F85 L86F70-I81 HydrophobicContact CD1-CD1 4.44Å; F70-I81 HydrophobicContact CE1-CD1 4.41Å; C74-I81 HydrophobicContact CB-CG1 4.11Å; I81-F85 HydrophobicContact CG2-CB 4.05Å; I81-F85 HydrophobicContact CG2-CD1 3.47Å; I81-F85 VanDerWaalsContact CG2-CD1 3.47Å; I81-F85 HydrophobicContact CG2-CE1 4.29Å; I81-F85 HydrophobicContact CG2-CG 4.08Å; I81-L86 HydrophobicContact CB-CD2 4.31Å; I81-L86 HydrophobicContact CB-CG 4.48Å; I81-L86 HydrophobicContact CG2-CD2 3.75Å; I81-L86 HydrophobicContact CG2-CG 3.89Å
82P96.2Very high97.3Very high87 Ų8791.7 Ų91.757%0.56547%0.469SS*.PPolyproline II helixtrans-59.8141.6178.1-24.234.1000112.4F84 F85 L86P82-F84 PolarHBondContact O-N 2.88Å; P82-F85 WeakPolarHBondContact O-CB 3.26Å; P82-F85 PolarHBondContact O-N 3.09Å; P82-L86 PolarHBondContact O-N 3.02Å
83E97.5Very high97.3Very high165 Ų16586.4 Ų86.477%0.77145%0.451SS*.Hα-helixtrans-57-37.7179-174.9178.3174.300112.6F85 L86 S87E83-F85 VanDerWaalsContact C-N 3.25Å; E83-F85 PolarHBondContact O-N 2.7Å; E83-L86 WeakPolarHBondContact O-CB 3.35Å; E83-L86 PolarHBondContact O-N 3.3Å; E83-L86 VanDerWaalsContact O-N 3.1Å; E83-S87 PolarHBondContact O-N 3.39Å
84F96.6Very high97.3Very high150 Ų15086.3 Ų86.366%0.65846%0.455SS*.Hα-helixtrans-59.5-34.9174.8176.5-95.2000112.9P82 S87 R88P82-F84 PolarHBondContact O-N 2.88Å; F84-S87 PolarHBondContact O-OG 2.79Å; F84-R88 HydrophobicContact CE1-CG 4.23Å; F84-R88 HydrophobicContact CZ-CG 4.25Å; F84-R88 VanDerWaalsContact O-CG 3.32Å; F84-R88 WeakPolarHBondContact O-CG 3.28Å; F84-R88 PolarHBondContact O-N 3.09Å
85F96.8Very high97.3Very high56 Ų5689.2 Ų89.225%0.24647%0.467CS..Hα-helixtrans-70.4-43.6174.5-179-89.2000110.6L67 F70 I81 P82 E83 S87 R88 V89 L118L67-F85 HydrophobicContact CD1-CE1 4.22Å; F70-F85 HydrophobicContact CD1-CE1 4.16Å; F70-F85 HydrophobicContact CD1-CZ 4.25Å; F70-F85 HydrophobicContact CE1-CD1 4.42Å; F70-F85 AromaticContact CE1-CE1 3.79Å; F70-F85 HydrophobicContact CE1-CE1 3.79Å; F70-F85 HydrophobicContact CE1-CE2 4.5Å; F70-F85 AromaticContact CE1-CZ 3.84Å; F70-F85 HydrophobicContact CE1-CZ 3.84Å; F70-F85 HydrophobicContact CZ-CZ 4.36Å; I81-F85 HydrophobicContact CG2-CB 4.05Å; I81-F85 HydrophobicContact CG2-CD1 3.47Å; I81-F85 VanDerWaalsContact CG2-CD1 3.47Å; I81-F85 HydrophobicContact CG2-CE1 4.29Å; I81-F85 HydrophobicContact CG2-CG 4.08Å; P82-F85 WeakPolarHBondContact O-CB 3.26Å; P82-F85 PolarHBondContact O-N 3.09Å; E83-F85 VanDerWaalsContact C-N 3.25Å; E83-F85 PolarHBondContact O-N 2.7Å; F85-S87 VanDerWaalsContact C-N 3.3Å; F85-S87 PolarHBondContact O-N 3.49Å; F85-R88 WeakPolarHBondContact O-CB 3.29Å; F85-R88 PolarHBondContact O-N 2.92Å; F85-V89 HydrophobicContact CD1-CG2 3.9Å; F85-V89 HydrophobicContact CE1-CG2 3.51Å; F85-V89 HydrophobicContact CZ-CG2 4.05Å; F85-V89 WeakPolarHBondContact O-CG2 3.47Å; F85-V89 PolarHBondContact O-N 2.93Å; F85-L118 HydrophobicContact CZ-CD1 3.97Å; F85-L118 HydrophobicContact CZ-CD2 4.1Å
86L97.3Very high97.3Very high85 Ų8583.9 Ų83.945%0.44544%0.44SS..Hα-helixtrans-60.6-38.8177.5-63.7176.2000112.2I81 P82 E83 R88 V89 A90I81-L86 HydrophobicContact CB-CD2 4.31Å; I81-L86 HydrophobicContact CB-CG 4.48Å; I81-L86 HydrophobicContact CG2-CD2 3.75Å; I81-L86 HydrophobicContact CG2-CG 3.89Å; P82-L86 PolarHBondContact O-N 3.02Å; E83-L86 WeakPolarHBondContact O-CB 3.35Å; E83-L86 PolarHBondContact O-N 3.3Å; E83-L86 VanDerWaalsContact O-N 3.1Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-V89 WeakPolarHBondContact O-CB 3.38Å; L86-V89 PolarHBondContact O-N 2.8Å; L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 2.9Å
87S97.9Very high97.1Very high61 Ų6179.9 Ų79.943%0.42742%0.419SS..Hα-helixtrans-65.3-37.2176.9720000112.1E83 F84 F85 A90 F91E83-S87 PolarHBondContact O-N 3.39Å; F84-S87 PolarHBondContact O-OG 2.79Å; F85-S87 VanDerWaalsContact C-N 3.3Å; F85-S87 PolarHBondContact O-N 3.49Å; S87-A90 PolarHBondContact O-N 3.32Å; S87-F91 VanDerWaalsContact O-CB 3.29Å; S87-F91 WeakPolarHBondContact O-CB 3.38Å; S87-F91 PolarHBondContact O-N 2.95Å
88R98Very high97Very high126 Ų12681.8 Ų81.848%0.47542%0.42SS..Hα-helixtrans-66.5-37.9173.2-66.8-67.8-65.9-125.3-3.9112.3F84 F85 L86 S92 I124F84-R88 HydrophobicContact CE1-CG 4.23Å; F84-R88 HydrophobicContact CZ-CG 4.25Å; F84-R88 VanDerWaalsContact O-CG 3.32Å; F84-R88 WeakPolarHBondContact O-CG 3.28Å; F84-R88 PolarHBondContact O-N 3.09Å; F85-R88 WeakPolarHBondContact O-CB 3.29Å; F85-R88 PolarHBondContact O-N 2.92Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-R88 PolarHBondContact O-N 3.41Å; R88-S92 WeakPolarHBondContact O-CB 3.43Å; R88-S92 PolarHBondContact O-N 3.5Å; R88-S92 PolarHBondContact O-OG 2.5Å; R88-I124 HydrophobicContact CB-CD1 3.81Å
89V98.3Very high96.9Very high10 Ų1076.1 Ų76.16%0.06139%0.387CS..Hα-helixtrans-62.4-52.3173.5171.40000110.2L67 F85 L86 F91 S92 I93 I116 I124L67-V89 HydrophobicContact CD1-CG2 4.46Å; L67-V89 HydrophobicContact CD2-CG1 3.79Å; F85-V89 HydrophobicContact CD1-CG2 3.9Å; F85-V89 HydrophobicContact CE1-CG2 3.51Å; F85-V89 HydrophobicContact CZ-CG2 4.05Å; F85-V89 WeakPolarHBondContact O-CG2 3.47Å; F85-V89 PolarHBondContact O-N 2.93Å; L86-V89 WeakPolarHBondContact O-CB 3.38Å; L86-V89 PolarHBondContact O-N 2.8Å; V89-F91 PolarHBondContact O-N 3.19Å; V89-S92 PolarHBondContact O-N 3.17Å; V89-I93 HydrophobicContact CG1-CD1 3.52Å; V89-I93 HydrophobicContact CG1-CG1 4.47Å; V89-I93 WeakPolarHBondContact O-CD1 3.5Å; V89-I93 VanDerWaalsContact O-CG1 3.23Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 2.77Å; V89-I116 HydrophobicContact CG1-CG2 4.49Å; V89-I124 HydrophobicContact CB-CD1 4.46Å; V89-I124 HydrophobicContact CG2-CD1 3.8Å; V89-I124 HydrophobicContact CG2-CG1 4.45Å; V89-I124 HydrophobicContact CG2-CG2 4.4Å
90A98.2Very high96.6Very high53 Ų5370.1 Ų70.144%0.43836%0.359SS..Hα-helixtrans-58.4-48.4179.400000112L86 S87 S92 I93 V94L86-A90 WeakPolarHBondContact O-CB 3.46Å; L86-A90 PolarHBondContact O-N 2.9Å; S87-A90 PolarHBondContact O-N 3.32Å; A90-S92 PolarHBondContact O-N 3.27Å; A90-I93 PolarHBondContact O-N 2.95Å; A90-V94 WeakPolarHBondContact O-CB 3.29Å; A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.15Å
91F98.5Very high96.4Very high109 Ų10969.6 Ų69.648%0.47834%0.344SS..Hα-helixtrans-56-50.7177177-98.2000111.8F42 S87 V89 I93 V94 E95F42-F91 HydrophobicContact CE1-CD1 4.49Å; F42-F91 HydrophobicContact CE1-CE1 4.28Å; F42-F91 HydrophobicContact CE2-CE1 4.13Å; F42-F91 HydrophobicContact CZ-CD1 4.24Å; F42-F91 AromaticContact CZ-CE1 3.62Å; F42-F91 HydrophobicContact CZ-CE1 3.62Å; S87-F91 VanDerWaalsContact O-CB 3.29Å; S87-F91 WeakPolarHBondContact O-CB 3.38Å; S87-F91 PolarHBondContact O-N 2.95Å; V89-F91 PolarHBondContact O-N 3.19Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.92Å; F91-V94 PolarHBondContact O-N 2.93Å; F91-E95 HydrophobicContact CD1-CG 4.3Å; F91-E95 HydrophobicContact CD2-CG 4.28Å; F91-E95 HydrophobicContact CE1-CG 3.91Å; F91-E95 HydrophobicContact CE2-CG 3.87Å; F91-E95 HydrophobicContact CG-CG 4.48Å; F91-E95 HydrophobicContact CZ-CG 3.67Å; F91-E95 WeakPolarHBondContact O-CB 3.32Å; F91-E95 WeakPolarHBondContact O-CG 3.48Å; F91-E95 PolarHBondContact O-N 3.05Å
92S98.4Very high96.3Very high5 Ų571.4 Ų71.44%0.03536%0.356CS..Hα-helixtrans-61.9-41.2-177.8-53.80000111.9F42 R88 V89 A90 A96F42-S92 VanDerWaalsContact CB-O 3.28Å; F42-S92 WeakPolarHBondContact CB-O 3.47Å; R88-S92 WeakPolarHBondContact O-CB 3.43Å; R88-S92 PolarHBondContact O-N 3.5Å; R88-S92 PolarHBondContact O-OG 2.5Å; V89-S92 PolarHBondContact O-N 3.17Å; A90-S92 PolarHBondContact O-N 3.27Å; S92-A96 WeakPolarHBondContact O-CB 3.1Å; S92-A96 PolarHBondContact O-N 2.82Å
93I97.1Very high96.1Very high25 Ų2572.8 Ų72.813%0.12836%0.355CS..Hα-helixtrans-66.3-46.3177.9-64.2159.3000110.6V89 A90 F91 E95 A96 L97 V111 I116V89-I93 HydrophobicContact CG1-CD1 3.52Å; V89-I93 HydrophobicContact CG1-CG1 4.47Å; V89-I93 WeakPolarHBondContact O-CD1 3.5Å; V89-I93 VanDerWaalsContact O-CG1 3.23Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 2.77Å; A90-I93 PolarHBondContact O-N 2.95Å; F91-I93 VanDerWaalsContact C-N 3.33Å; F91-I93 PolarHBondContact O-N 2.92Å; I93-E95 PolarHBondContact O-N 3.22Å; I93-A96 PolarHBondContact O-N 3.5Å; I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CB 3.48Å; I93-L97 WeakPolarHBondContact O-CG 3.47Å; I93-L97 PolarHBondContact O-N 2.94Å; I93-V111 HydrophobicContact CG2-CG1 4.07Å; I93-I116 HydrophobicContact CD1-CD1 3.35Å; I93-I116 HydrophobicContact CD1-CG1 3.94Å; I93-I116 HydrophobicContact CD1-CG2 4.46Å; I93-I116 HydrophobicContact CG1-CD1 4.02Å; I93-I116 HydrophobicContact CG1-CG1 4.06Å
94V97.6Very high95.6Very high91 Ų9165.7 Ų65.755%0.55232%0.322SS*.Hα-helixtrans-62.5-44.4-179.6170.60000110.9A90 F91 A96 L97 Y98A90-V94 WeakPolarHBondContact O-CB 3.29Å; A90-V94 VanDerWaalsContact O-CG2 3.3Å; A90-V94 WeakPolarHBondContact O-CG2 3.46Å; A90-V94 PolarHBondContact O-N 3.15Å; F91-V94 PolarHBondContact O-N 2.93Å; V94-A96 PolarHBondContact O-N 3.19Å; V94-L97 PolarHBondContact O-N 2.94Å; V94-Y98 VanDerWaalsContact O-CB 3.29Å; V94-Y98 WeakPolarHBondContact O-CB 3.4Å; V94-Y98 PolarHBondContact O-N 2.68Å
95E98Very high95.2Very high74 Ų7461.5 Ų61.535%0.34631%0.307SS..Hα-helixtrans-62.7-42.3176.6-73.6-65121.600112.1F42 F91 I93 Y98 Y99F42-E95 HydrophobicContact CD2-CB 3.35Å; F42-E95 HydrophobicContact CD2-CG 4.15Å; F42-E95 HydrophobicContact CE2-CB 3.62Å; F42-E95 HydrophobicContact CE2-CG 3.88Å; F42-E95 HydrophobicContact CG-CB 4.21Å; F91-E95 HydrophobicContact CD1-CG 4.3Å; F91-E95 HydrophobicContact CD2-CG 4.28Å; F91-E95 HydrophobicContact CE1-CG 3.91Å; F91-E95 HydrophobicContact CE2-CG 3.87Å; F91-E95 HydrophobicContact CG-CG 4.48Å; F91-E95 HydrophobicContact CZ-CG 3.67Å; F91-E95 WeakPolarHBondContact O-CB 3.32Å; F91-E95 WeakPolarHBondContact O-CG 3.48Å; F91-E95 PolarHBondContact O-N 3.05Å; I93-E95 PolarHBondContact O-N 3.22Å; E95-Y98 PolarHBondContact O-N 2.79Å; E95-Y99 WeakPolarHBondContact O-CB 3.38Å; E95-Y99 PolarHBondContact O-N 3.41Å
96A95.4Very high94.7Very high0 Ų059.2 Ų59.20%030%0.297CS..Hα-helixtrans-63.2-44.1175.300000111.9F42 M43 S92 I93 V94 Y99 M100 I126F42-A96 HydrophobicContact CB-CB 3.91Å; F42-A96 WeakPolarHBondContact O-CB 3.48Å; M43-A96 HydrophobicContact CG-CB 4.04Å; S92-A96 WeakPolarHBondContact O-CB 3.1Å; S92-A96 PolarHBondContact O-N 2.82Å; I93-A96 PolarHBondContact O-N 3.5Å; V94-A96 PolarHBondContact O-N 3.19Å; A96-Y99 PolarHBondContact O-N 3.36Å; A96-M100 VanDerWaalsContact O-CG 3.29Å; A96-M100 WeakPolarHBondContact O-CG 3.48Å; A96-M100 PolarHBondContact O-N 3.23Å; A96-I126 HydrophobicContact CB-CB 4.32Å; A96-I126 HydrophobicContact CB-CG2 3.6Å
97L94.3Very high94.1Very high54 Ų5458.1 Ų58.128%0.28329%0.29SS..Hα-helixtrans-66.9-38177.8-68.7174.7000112.1I93 V94 M100 K101 H108 V111 I126I93-L97 HydrophobicContact CG2-CD1 3.75Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CB 3.48Å; I93-L97 WeakPolarHBondContact O-CG 3.47Å; I93-L97 PolarHBondContact O-N 2.94Å; V94-L97 PolarHBondContact O-N 2.94Å; L97-M100 HydrophobicContact CD2-SD 4.43Å; L97-M100 PolarHBondContact O-N 2.99Å; L97-K101 WeakPolarHBondContact O-CB 3.39Å; L97-K101 PolarHBondContact O-N 3.37Å; L97-H108 HydrophobicContact CD2-CB 3.72Å; L97-V111 HydrophobicContact CD1-CG2 4.09Å; L97-V111 HydrophobicContact CD2-CG2 3.8Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å
98Y95.7Very high93.5Very high142 Ų14255.3 Ų55.356%0.55727%0.271SS*.Hα-helixtrans-60.7-49.8173.5176.9-98.1000110.6V94 E95 M100 K101 V102V94-Y98 VanDerWaalsContact O-CB 3.29Å; V94-Y98 WeakPolarHBondContact O-CB 3.4Å; V94-Y98 PolarHBondContact O-N 2.68Å; E95-Y98 PolarHBondContact O-N 2.79Å; Y98-M100 PolarHBondContact O-N 3.04Å; Y98-K101 PolarHBondContact O-N 3.34Å; Y98-K101 VanDerWaalsContact O-N 3.15Å; Y98-V102 HydrophobicContact CD1-CG2 4.46Å; Y98-V102 HydrophobicContact CD2-CG2 3.94Å; Y98-V102 HydrophobicContact CE1-CB 4.48Å; Y98-V102 HydrophobicContact CE1-CG2 4.12Å; Y98-V102 HydrophobicContact CE2-CG2 3.57Å; Y98-V102 HydrophobicContact CG-CG2 4.38Å; Y98-V102 WeakPolarHBondContact O-CB 3.22Å; Y98-V102 WeakPolarHBondContact O-CG2 3.37Å; Y98-V102 PolarHBondContact O-N 3.03Å
99Y94.5Very high92.7Very high31 Ų3152.7 Ų52.712%0.12226%0.261CS..Hα-helixtrans-56.7-48174.8179.5-88.6000111.7K36 N39 C40 M43 E95 A96 K101 V102 E103 L104K36-Y99 PolarHBondContact O-OH 2.65Å; N39-Y99 HydrophobicContact CB-CE2 4.15Å; N39-Y99 WeakPolarHBondContact CB-OH 3.27Å; C40-Y99 HydrophobicContact CB-CD1 3.74Å; C40-Y99 HydrophobicContact CB-CD2 3.92Å; C40-Y99 HydrophobicContact CB-CE1 4.07Å; C40-Y99 HydrophobicContact CB-CE2 4.25Å; C40-Y99 HydrophobicContact CB-CG 3.69Å; M43-Y99 HydrophobicContact SD-CD1 3.36Å; M43-Y99 WeakPolarHBondContact SD-CD1 3.36Å; M43-Y99 HydrophobicContact SD-CE1 3.81Å; M43-Y99 HydrophobicContact SD-CG 4.34Å; E95-Y99 WeakPolarHBondContact O-CB 3.38Å; E95-Y99 PolarHBondContact O-N 3.41Å; A96-Y99 PolarHBondContact O-N 3.36Å; Y99-K101 VanDerWaalsContact C-N 3.28Å; Y99-K101 PolarHBondContact O-N 3.41Å; Y99-V102 PolarHBondContact O-N 2.72Å; Y99-E103 HydrophobicContact CD1-CB 4.46Å; Y99-E103 HydrophobicContact CD2-CB 4Å; Y99-E103 HydrophobicContact CD2-CG 3.56Å; Y99-E103 HydrophobicContact CE1-CB 4.22Å; Y99-E103 HydrophobicContact CE2-CB 3.71Å; Y99-E103 HydrophobicContact CE2-CG 3.49Å; Y99-E103 VanDerWaalsContact CE2-CG 3.49Å; Y99-E103 HydrophobicContact CG-CB 4.35Å; Y99-E103 HydrophobicContact CG-CG 4.25Å; Y99-E103 VanDerWaalsContact O-CB 3.31Å; Y99-E103 WeakPolarHBondContact O-CB 2.89Å; Y99-E103 PolarHBondContact O-N 3.45Å; Y99-L104 HydrophobicContact CD1-CD1 4.27Å; Y99-L104 HydrophobicContact CD1-CG 4.27Å; Y99-L104 HydrophobicContact CE1-CD1 3.94Å; Y99-L104 HydrophobicContact CE1-CD2 3.89Å; Y99-L104 HydrophobicContact CE1-CG 3.87Å
100M91.6Very high92Very high1 Ų153.7 Ų53.71%0.00527%0.266CS..Hα-helixtrans-57.6-41.8177.1-72-179.274.800112.1M43 A96 L97 Y98 L104 N105 L106 H108 F129 I131M43-M100 HydrophobicContact CE-CG 3.81Å; M43-M100 HydrophobicContact CE-SD 4.36Å; M43-M100 HydrophobicContact SD-CG 4.07Å; A96-M100 VanDerWaalsContact O-CG 3.29Å; A96-M100 WeakPolarHBondContact O-CG 3.48Å; A96-M100 PolarHBondContact O-N 3.23Å; L97-M100 HydrophobicContact CD2-SD 4.43Å; L97-M100 PolarHBondContact O-N 2.99Å; Y98-M100 PolarHBondContact O-N 3.04Å; M100-L104 HydrophobicContact CG-CD1 4.29Å; M100-L104 CarbonylContact O-C 3.43Å; M100-L104 WeakPolarHBondContact O-CA 3.3Å; M100-L104 VanDerWaalsContact O-CB 3.26Å; M100-L104 WeakPolarHBondContact O-CB 3.34Å; M100-L104 PolarHBondContact O-N 3.31Å; M100-N105 PolarHBondContact O-N 3.26Å; M100-L106 CarbonylContact C-O 3.57Å; M100-L106 HydrophobicContact CE-CB 4.44Å; M100-L106 PolarHBondContact O-N 2.89Å; M100-H108 HydrophobicContact CE-CB 3.75Å; M100-H108 HydrophobicContact SD-CB 3.91Å; M100-F129 HydrophobicContact CE-CB 4.06Å; M100-F129 HydrophobicContact CE-CD1 3.81Å; M100-F129 HydrophobicContact CE-CG 4.31Å; M100-F129 HydrophobicContact SD-CD1 3.92Å; M100-F129 HydrophobicContact SD-CE1 4.45Å; M100-I131 HydrophobicContact CE-CG1 4.4Å
101K90.9Very high91.7Very high99 Ų9953.8 Ų53.843%0.4326%0.261SS..Hα-helixtrans-71.6-46.8-179.6175.256.3-178165.40112.2L97 Y98 Y99 N105 L135L97-K101 WeakPolarHBondContact O-CB 3.39Å; L97-K101 PolarHBondContact O-N 3.37Å; Y98-K101 PolarHBondContact O-N 3.34Å; Y98-K101 VanDerWaalsContact O-N 3.15Å; Y99-K101 VanDerWaalsContact C-N 3.28Å; Y99-K101 PolarHBondContact O-N 3.41Å; K101-N105 VanDerWaalsContact O-CA 3.24Å; K101-N105 WeakPolarHBondContact O-CA 3.23Å; K101-N105 PolarHBondContact O-N 3.45Å; K101-L135 HydrophobicContact CD-CD1 3.75Å
102V93.5Very high91.3Very high75 Ų7550.5 Ų50.546%0.45525%0.246SC..Hα-helixtrans-81.6-48.1-171.6176.60000111.6Y98 Y99Y98-V102 HydrophobicContact CD1-CG2 4.46Å; Y98-V102 HydrophobicContact CD2-CG2 3.94Å; Y98-V102 HydrophobicContact CE1-CB 4.48Å; Y98-V102 HydrophobicContact CE1-CG2 4.12Å; Y98-V102 HydrophobicContact CE2-CG2 3.57Å; Y98-V102 HydrophobicContact CG-CG2 4.38Å; Y98-V102 WeakPolarHBondContact O-CB 3.22Å; Y98-V102 WeakPolarHBondContact O-CG2 3.37Å; Y98-V102 PolarHBondContact O-N 3.03Å; Y99-V102 PolarHBondContact O-N 2.72Å
103E91.2Very high91.2Very high116 Ų11651.4 Ų51.454%0.54225%0.252SS..Hα-helixtrans-89.1-29.3-172.7-60-60.9144.500112.8Y99Y99-E103 HydrophobicContact CD1-CB 4.46Å; Y99-E103 HydrophobicContact CD2-CB 4Å; Y99-E103 HydrophobicContact CD2-CG 3.56Å; Y99-E103 HydrophobicContact CE1-CB 4.22Å; Y99-E103 HydrophobicContact CE2-CB 3.71Å; Y99-E103 HydrophobicContact CE2-CG 3.49Å; Y99-E103 VanDerWaalsContact CE2-CG 3.49Å; Y99-E103 HydrophobicContact CG-CB 4.35Å; Y99-E103 HydrophobicContact CG-CG 4.25Å; Y99-E103 VanDerWaalsContact O-CB 3.31Å; Y99-E103 WeakPolarHBondContact O-CB 2.89Å; Y99-E103 PolarHBondContact O-N 3.45Å
104L88.1Confident91.1Very high17 Ų1752.5 Ų52.59%0.08926%0.262CS..SBendtrans-108.1-16.4-176.8-43.2-177.4000113.1A33 K36 M43 Y99 M100 L106A33-L104 HydrophobicContact CB-CD1 4.37Å; K36-L104 HydrophobicContact CB-CD2 3.57Å; K36-L104 HydrophobicContact CD-CD2 3.34Å; K36-L104 HydrophobicContact CG-CD2 4.11Å; M43-L104 HydrophobicContact CE-CD1 4.05Å; Y99-L104 HydrophobicContact CD1-CD1 4.27Å; Y99-L104 HydrophobicContact CD1-CG 4.27Å; Y99-L104 HydrophobicContact CE1-CD1 3.94Å; Y99-L104 HydrophobicContact CE1-CD2 3.89Å; Y99-L104 HydrophobicContact CE1-CG 3.87Å; M100-L104 HydrophobicContact CG-CD1 4.29Å; M100-L104 CarbonylContact O-C 3.43Å; M100-L104 WeakPolarHBondContact O-CA 3.3Å; M100-L104 VanDerWaalsContact O-CB 3.26Å; M100-L104 WeakPolarHBondContact O-CB 3.34Å; M100-L104 PolarHBondContact O-N 3.31Å; L104-L106 HydrophobicContact CB-CB 4.21Å; L104-L106 HydrophobicContact CB-CD1 3.81Å; L104-L106 HydrophobicContact CB-CG 3.79Å; L104-L106 HydrophobicContact CD1-CD1 4.28Å; L104-L106 WeakPolarHBondContact O-CG 3.32Å; L104-L106 PolarHBondContact O-N 2.94Å
105N87.3Confident90.9Very high62 Ų6248.4 Ų48.433%0.33224%0.237SC..  trans53.641.3-169.6-166.433.6000113M100 K101 L135M100-N105 PolarHBondContact O-N 3.26Å; K101-N105 VanDerWaalsContact O-CA 3.24Å; K101-N105 WeakPolarHBondContact O-CA 3.23Å; K101-N105 PolarHBondContact O-N 3.45Å; N105-L135 WeakPolarHBondContact OD1-CD1 3.22Å
106L86.6Confident90.8Very high8 Ų845.2 Ų45.24%0.04222%0.222CC..BIsolated β-bridgetrans-120.1151.2-177.2-61.9-179.3000111.6I29 A33 M100 L104 I131I29-L106 HydrophobicContact CG2-CD2 4.24Å; A33-L106 HydrophobicContact CB-CD1 3.67Å; M100-L106 CarbonylContact C-O 3.57Å; M100-L106 HydrophobicContact CE-CB 4.44Å; M100-L106 PolarHBondContact O-N 2.89Å; L104-L106 HydrophobicContact CB-CB 4.21Å; L104-L106 HydrophobicContact CB-CD1 3.81Å; L104-L106 HydrophobicContact CB-CG 3.79Å; L104-L106 HydrophobicContact CD1-CD1 4.28Å; L104-L106 WeakPolarHBondContact O-CG 3.32Å; L104-L106 PolarHBondContact O-N 2.94Å; L106-I131 HydrophobicContact CB-CG2 4.38Å; L106-I131 HydrophobicContact CD1-CD1 3.73Å; L106-I131 HydrophobicContact CD1-CG1 4.11Å; L106-I131 HydrophobicContact CD1-CG2 4.38Å; L106-I131 HydrophobicContact CD2-CG2 3.75Å; L106-I131 HydrophobicContact CG-CG2 4.37Å
107M85.3Confident91Very high61 Ų6146.8 Ų46.830%0.323%0.23SC..  trans-112.5130.3166.3-67.3-173.5-74.900109.2R109 L135M107-R109 HydrophobicContact CB-CG 3.87Å; M107-L135 HydrophobicContact CE-CD1 4.45Å; M107-L135 HydrophobicContact CE-CD2 3.79Å; M107-L135 HydrophobicContact CE-CG 3.95Å; M107-L135 HydrophobicContact CG-CD1 3.92Å; M107-L135 HydrophobicContact CG-CG 4.44Å; M107-L135 HydrophobicContact SD-CD2 4.25Å
108H84.8Confident91.2Very high3 Ų344.7 Ų44.71%0.01422%0.219CC..  trans-65.5-42.3-179.9-168.2-55.4000112.9L97 M100 D110 V111 I126 C127 D128 G130L97-H108 HydrophobicContact CD2-CB 3.72Å; M100-H108 HydrophobicContact CE-CB 3.75Å; M100-H108 HydrophobicContact SD-CB 3.91Å; H108-D110 PolarHBondContact CE1-O 3.39Å; H108-D110 PolarHBondContact ND1-N 3.27Å; H108-D110 PolarHBondContact O-N 3.05Å; H108-V111 HydrophobicContact CB-CG2 4.2Å; H108-I126 WeakPolarHBondContact CD2-CD1 3.48Å; H108-I126 WeakPolarHBondContact NE2-CG1 3.41Å; H108-C127 PolarHBondContact NE2-O 3.44Å; H108-D128 PolarHBondContact CE1-O 3.39Å; H108-D128 PolarHBondContact NE2-O 2.85Å; H108-G130 CarbonylContact O-C 3.5Å; H108-G130 VanDerWaalsContact O-O 3.11Å
109R82.4Confident91.3Very high70 Ų7039 Ų3926%0.26420%0.198SC..  trans58.83177-65.7179.4158.5-167.21.8117.6M107 S132 A145 G146M107-R109 HydrophobicContact CB-CG 3.87Å; R109-S132 WeakPolarHBondContact CD-O 3.47Å; R109-S132 WeakPolarHBondContact CD-OG 3.3Å; R109-S132 PolarHBondContact NE-O 3.28Å; R109-S132 VanDerWaalsContact NH1-CB 3.33Å; R109-S132 PolarHBondContact NH1-O 3.06Å; R109-S132 PolarHBondContact NH1-OG 3.1Å; R109-A145 HydrophobicContact CB-CB 4.49Å; R109-A145 HydrophobicContact CG-CB 4.45Å; R109-G146 VanDerWaalsContact O-CA 3.3Å; R109-G146 WeakPolarHBondContact O-CA 3.37Å
110D83.7Confident91.3Very high32 Ų3248.1 Ų48.117%0.17123%0.233CC..  trans-138.744.3178.8-16833000109.8H108 K112 N115 C147H108-D110 PolarHBondContact CE1-O 3.39Å; H108-D110 PolarHBondContact ND1-N 3.27Å; H108-D110 PolarHBondContact O-N 3.05Å; D110-K112 VanDerWaalsContact CG-NZ 3.26Å; D110-K112 PolarHBondContact O-N 3.42Å; D110-K112 WeakPolarHBondContact OD1-CD 3.48Å; D110-K112 IonicContact OD1-NZ 2.7Å; D110-K112 PolarHBondContact OD1-NZ 3.31Å; D110-K112 WeakPolarHBondContact OD2-CE 3.45Å; D110-K112 IonicContact OD2-NZ 3.22Å; D110-K112 PolarHBondContact OD2-NZ 3.42Å; D110-N115 PolarHBondContact O-ND2 3.43Å; D110-N115 PolarHBondContact OD2-ND2 3.06Å; D110-C147 WeakPolarHBondContact OD1-CB 3.43Å
111V90.3Very high91.6Very high54 Ų5456.5 Ų56.533%0.32727%0.269SS..  trans-72.9111.3176-176.90000107.8I93 L97 H108 I126I93-V111 HydrophobicContact CG2-CG1 4.07Å; L97-V111 HydrophobicContact CD1-CG2 4.09Å; L97-V111 HydrophobicContact CD2-CG2 3.8Å; H108-V111 HydrophobicContact CB-CG2 4.2Å; V111-I126 HydrophobicContact CG2-CD1 4.29Å
112K91.8Very high91.8Very high40 Ų4054.1 Ų54.117%0.17427%0.272CS..  trans-151.4157.5178.663.4-172.1178.7-147.20109.8D110 S114 N115 C147 Y150D110-K112 VanDerWaalsContact CG-NZ 3.26Å; D110-K112 PolarHBondContact O-N 3.42Å; D110-K112 WeakPolarHBondContact OD1-CD 3.48Å; D110-K112 IonicContact OD1-NZ 2.7Å; D110-K112 PolarHBondContact OD1-NZ 3.31Å; D110-K112 WeakPolarHBondContact OD2-CE 3.45Å; D110-K112 IonicContact OD2-NZ 3.22Å; D110-K112 PolarHBondContact OD2-NZ 3.42Å; K112-S114 WeakPolarHBondContact CD-OG 3.45Å; K112-S114 WeakPolarHBondContact CE-OG 3.44Å; K112-S114 WeakPolarHBondContact CG-OG 3.5Å; K112-S114 PolarHBondContact O-N 2.99Å; K112-N115 WeakPolarHBondContact CE-ND2 3.47Å; K112-N115 WeakPolarHBondContact CE-OD1 3.15Å; K112-N115 HydrophobicContact CG-CB 4.22Å; K112-N115 PolarHBondContact O-N 3.46Å; K112-C147 HydrophobicContact CD-CB 4.06Å; K112-Y150 HydrophobicContact CB-CD2 3.77Å; K112-Y150 HydrophobicContact CB-CE2 3.73Å; K112-Y150 HydrophobicContact CB-CG 4.39Å
113P95.5Very high92Very high25 Ų2553.9 Ų53.916%0.16227%0.267CS..G310 helixtrans-54.8-27.8-178.6-29.238.1000115.2L67 D68 Y71 N115 I116 Y150L67-P113 HydrophobicContact CB-CB 4.24Å; L67-P113 WeakPolarHBondContact CB-O 3.49Å; L67-P113 HydrophobicContact CD2-CB 4.34Å; L67-P113 HydrophobicContact CG-CB 4.3Å; L67-P113 PolarHBondContact N-O 3.31Å; D68-P113 HydrophobicContact CB-CB 3.79Å; D68-P113 PolarHBondContact N-O 2.89Å; Y71-P113 HydrophobicContact CD1-CB 4.45Å; Y71-P113 HydrophobicContact CE1-CB 4.15Å; Y71-P113 HydrophobicContact CE1-CG 4.48Å; P113-N115 VanDerWaalsContact C-N 3.33Å; P113-I116 PolarHBondContact O-N 3.19Å; P113-Y150 VanDerWaalsContact CD-CZ 3.46Å; P113-Y150 WeakPolarHBondContact CD-OH 3.45Å; P113-Y150 HydrophobicContact CG-CE1 4.36Å
114S94Very high92.3Very high47 Ų4748.9 Ų48.933%0.32924%0.243SC..G310 helixtrans-76.2-16.9176.4520000114.9D68 K112D68-S114 VanDerWaalsContact OD1-CA 3.32Å; D68-S114 WeakPolarHBondContact OD1-CA 3.2Å; K112-S114 WeakPolarHBondContact CD-OG 3.45Å; K112-S114 WeakPolarHBondContact CE-OG 3.44Å; K112-S114 WeakPolarHBondContact CG-OG 3.5Å; K112-S114 PolarHBondContact O-N 2.99Å
115N93.9Very high92.8Very high5 Ų549 Ų493%0.02724%0.243CC..G310 helixtrans-96.66174.2-69.1-3.1000112.4D110 K112 P113 I126 C127D110-N115 PolarHBondContact O-ND2 3.43Å; D110-N115 PolarHBondContact OD2-ND2 3.06Å; K112-N115 WeakPolarHBondContact CE-ND2 3.47Å; K112-N115 WeakPolarHBondContact CE-OD1 3.15Å; K112-N115 HydrophobicContact CG-CB 4.22Å; K112-N115 PolarHBondContact O-N 3.46Å; P113-N115 VanDerWaalsContact C-N 3.33Å; N115-I126 WeakPolarHBondContact O-CA 3.25Å; N115-C127 PolarHBondContact O-N 3.18Å
116I97.1Very high93.2Very high7 Ų746.2 Ų46.24%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-109.4112.4176.2-63154.4000107.1S66 L67 V89 I93 P113 I124S66-I116 CarbonylContact C-O 3.6Å; S66-I116 WeakPolarHBondContact CA-O 3.44Å; L67-I116 HydrophobicContact CB-CB 3.99Å; L67-I116 HydrophobicContact CB-CG2 4.03Å; L67-I116 HydrophobicContact CD2-CB 4.35Å; L67-I116 HydrophobicContact CD2-CD1 3.99Å; L67-I116 HydrophobicContact CD2-CG2 4.17Å; L67-I116 PolarHBondContact N-O 2.85Å; V89-I116 HydrophobicContact CG1-CG2 4.49Å; I93-I116 HydrophobicContact CD1-CD1 3.35Å; I93-I116 HydrophobicContact CD1-CG1 3.94Å; I93-I116 HydrophobicContact CD1-CG2 4.46Å; I93-I116 HydrophobicContact CG1-CD1 4.02Å; I93-I116 HydrophobicContact CG1-CG1 4.06Å; P113-I116 PolarHBondContact O-N 3.19Å; I116-I124 HydrophobicContact CG2-CG2 3.81Å
117L98.3Very high93.4Very high33 Ų3346.1 Ų46.117%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-102.9148-175.7-54.3-169.9000111.6V44 M63 T65 I124 K125 C127V44-L117 HydrophobicContact CG2-CD1 3.94Å; V44-L117 HydrophobicContact CG2-CG 4.49Å; M63-L117 HydrophobicContact CB-CB 3.67Å; M63-L117 HydrophobicContact CB-CD1 3.95Å; M63-L117 HydrophobicContact CB-CG 4.43Å; M63-L117 HydrophobicContact CE-CB 4.07Å; M63-L117 WeakPolarHBondContact CE-O 3.37Å; M63-L117 HydrophobicContact CG-CB 3.65Å; M63-L117 HydrophobicContact CG-CD1 3.82Å; M63-L117 HydrophobicContact CG-CG 4.41Å; T65-L117 CarbonylContact O-C 3.59Å; T65-L117 WeakPolarHBondContact O-CA 3.31Å; L117-I124 WeakPolarHBondContact O-CA 3.33Å; L117-K125 PolarHBondContact N-O 3.23Å; L117-K125 PolarHBondContact O-N 3.07Å; L117-C127 HydrophobicContact CD1-CB 3.9Å; L117-C127 HydrophobicContact CG-CB 4.15Å
118L98.3Very high93Very high11 Ų1145.6 Ų45.66%0.05823%0.227CC..EExtended strand (participates in β ladder)trans-128.3145.4-175.2-53.3174.3000109.5D64 T65 L67 F70 F85 E123 I124D64-L118 PolarHBondContact N-O 2.86Å; T65-L118 HydrophobicContact CG2-CB 3.99Å; T65-L118 HydrophobicContact CG2-CD1 4.2Å; T65-L118 PolarHBondContact N-O 3.39Å; T65-L118 VanDerWaalsContact N-O 3.1Å; T65-L118 PolarHBondContact O-N 2.93Å; L67-L118 HydrophobicContact CD1-CD1 4.16Å; F70-L118 HydrophobicContact CB-CD1 3.69Å; F70-L118 HydrophobicContact CD1-CD1 3.96Å; F70-L118 HydrophobicContact CD2-CD1 4.27Å; F70-L118 HydrophobicContact CG-CD1 3.7Å; F85-L118 HydrophobicContact CZ-CD1 3.97Å; F85-L118 HydrophobicContact CZ-CD2 4.1Å; L118-E123 WeakPolarHBondContact CA-O 3.38Å; L118-I124 HydrophobicContact CD2-CB 4.16Å; L118-I124 HydrophobicContact CD2-CG1 3.62Å; L118-I124 HydrophobicContact CD2-CG2 3.95Å
119N97.4Very high92.3Very high21 Ų2145.7 Ų45.711%0.11223%0.227CC..  trans-130.9167.4169.573.621.7000112.8M63 D64 K121 G122 E123M63-N119 HydrophobicContact CE-CB 4.05Å; M63-N119 HydrophobicContact SD-CB 4.16Å; D64-N119 WeakPolarHBondContact OD2-CA 3.42Å; D64-N119 VanDerWaalsContact OD2-CB 3.24Å; D64-N119 WeakPolarHBondContact OD2-CB 3.26Å; N119-K121 PolarHBondContact O-N 2.91Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 WeakPolarHBondContact OD1-CA 3.44Å; N119-K121 WeakPolarHBondContact OD1-CB 3.47Å; N119-K121 PolarHBondContact OD1-N 3.32Å; N119-G122 PolarHBondContact O-N 2.91Å; N119-G122 PolarHBondContact OD1-N 3.07Å; N119-E123 PolarHBondContact N-O 2.9Å; N119-E123 PolarHBondContact ND2-OE2 2.85Å; N119-E123 WeakPolarHBondContact OD1-CB 3.29Å; N119-E123 PolarHBondContact OD1-N 2.92Å; N119-E123 VanDerWaalsContact OD1-N 3.07Å
120R96Very high91Very high224 Ų22444 Ų4485%0.84523%0.232SC*.THydrogen-bonded Turntrans-65.6-13.5-178.7-70.2170.9-172.7-950.7113.7D64D64-R120 IonicContact OD1-NE 3.54Å; D64-R120 PolarHBondContact OD1-NE 3.3Å; D64-R120 WeakPolarHBondContact OD2-CG 3.44Å; D64-R120 PolarHBondContact OD2-N 3.42Å
121K96.3Very high89.6Confident176 Ų17642.8 Ų42.877%0.76523%0.225SC*.THydrogen-bonded Turntrans-80.9-4.4172.4-57.5176.9-179174.50112.3N119 E123N119-K121 PolarHBondContact O-N 2.91Å; N119-K121 VanDerWaalsContact O-N 3.16Å; N119-K121 WeakPolarHBondContact OD1-CA 3.44Å; N119-K121 WeakPolarHBondContact OD1-CB 3.47Å; N119-K121 PolarHBondContact OD1-N 3.32Å; K121-E123 HydrophobicContact CB-CG 4.22Å
122G95.1Very high87.5Confident49 Ų4941.9 Ų41.951%0.50522%0.221SC..  trans81.715.2-17700000113.5N119N119-G122 PolarHBondContact O-N 2.91Å; N119-G122 PolarHBondContact OD1-N 3.07Å
123E97.9Very high85.3Confident71 Ų7141.5 Ų41.533%0.33223%0.229SC..  trans-80.5139.5175.1-56.3173166.200110.1L118 N119 K121 K125L118-E123 WeakPolarHBondContact CA-O 3.38Å; N119-E123 PolarHBondContact N-O 2.9Å; N119-E123 PolarHBondContact ND2-OE2 2.85Å; N119-E123 WeakPolarHBondContact OD1-CB 3.29Å; N119-E123 PolarHBondContact OD1-N 2.92Å; N119-E123 VanDerWaalsContact OD1-N 3.07Å; K121-E123 HydrophobicContact CB-CG 4.22Å; E123-K125 WeakPolarHBondContact OE2-CE 3.4Å; E123-K125 IonicContact OE2-NZ 3.1Å
124I98.5Very high82.9Confident11 Ų1144.9 Ų44.96%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-125.4119.6179.9-57.3157.2000107R88 V89 I116 L117 L118R88-I124 HydrophobicContact CB-CD1 3.81Å; V89-I124 HydrophobicContact CB-CD1 4.46Å; V89-I124 HydrophobicContact CG2-CD1 3.8Å; V89-I124 HydrophobicContact CG2-CG1 4.45Å; V89-I124 HydrophobicContact CG2-CG2 4.4Å; I116-I124 HydrophobicContact CG2-CG2 3.81Å; L117-I124 WeakPolarHBondContact O-CA 3.33Å; L118-I124 HydrophobicContact CD2-CB 4.16Å; L118-I124 HydrophobicContact CD2-CG1 3.62Å; L118-I124 HydrophobicContact CD2-CG2 3.95Å
125K97.9Very high80.5Confident20 Ų2044.2 Ų44.29%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-137139.9-171.2-58.6-172.1-175.8-170.10112P41 F42 V44 E61 M63 L117 E123P41-K125 VanDerWaalsContact O-CE 3.23Å; P41-K125 WeakPolarHBondContact O-CE 3.48Å; F42-K125 CarbonylContact O-C 3.44Å; F42-K125 VanDerWaalsContact O-CA 3.26Å; F42-K125 WeakPolarHBondContact O-CA 3.5Å; V44-K125 HydrophobicContact CG2-CB 3.83Å; E61-K125 WeakPolarHBondContact OE1-CD 3.23Å; E61-K125 WeakPolarHBondContact OE1-CE 3.36Å; E61-K125 IonicContact OE1-NZ 2.68Å; E61-K125 PolarHBondContact OE1-NZ 3.43Å; E61-K125 IonicContact OE2-NZ 3.48Å; E61-K125 PolarHBondContact OE2-NZ 2.91Å; M63-K125 HydrophobicContact CE-CB 4.06Å; M63-K125 HydrophobicContact CE-CD 4.15Å; M63-K125 HydrophobicContact CE-CG 3.97Å; M63-K125 HydrophobicContact SD-CD 4.19Å; L117-K125 PolarHBondContact N-O 3.23Å; L117-K125 PolarHBondContact O-N 3.07Å; E123-K125 WeakPolarHBondContact OE2-CE 3.4Å; E123-K125 IonicContact OE2-NZ 3.1Å
126I95.2Very high77.9Confident2 Ų249 Ų491%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-83.8138.8172.5-155.3168.2000110.2F42 M43 V44 A96 L97 H108 V111 N115 F129F42-I126 PolarHBondContact O-N 3.47Å; M43-I126 HydrophobicContact CG-CG2 3.97Å; V44-I126 PolarHBondContact N-O 2.86Å; A96-I126 HydrophobicContact CB-CB 4.32Å; A96-I126 HydrophobicContact CB-CG2 3.6Å; L97-I126 HydrophobicContact CD2-CD1 4.23Å; H108-I126 WeakPolarHBondContact CD2-CD1 3.48Å; H108-I126 WeakPolarHBondContact NE2-CG1 3.41Å; V111-I126 HydrophobicContact CG2-CD1 4.29Å; N115-I126 WeakPolarHBondContact O-CA 3.25Å; I126-F129 HydrophobicContact CG2-CE1 3.95Å
127C91Very high74.9Confident7 Ų755.3 Ų55.35%0.04730%0.298CS..  trans-125.5-179.3175.1730000110.8V44 H108 N115 L117V44-C127 HydrophobicContact CB-CB 4.08Å; V44-C127 HydrophobicContact CG2-CB 3.65Å; H108-C127 PolarHBondContact NE2-O 3.44Å; N115-C127 PolarHBondContact O-N 3.18Å; L117-C127 HydrophobicContact CD1-CB 3.9Å; L117-C127 HydrophobicContact CG-CB 4.15Å
128D78.5Confident71.8Confident49 Ų4958.6 Ų58.626%0.26232%0.324SS..  trans53.462.4172.9-71.4-21.7000112.9K13 H108 G130K13-D128 WeakPolarHBondContact CE-OD1 3.36Å; K13-D128 IonicContact NZ-OD1 3.06Å; K13-D128 PolarHBondContact NZ-OD1 3.22Å; H108-D128 PolarHBondContact CE1-O 3.39Å; H108-D128 PolarHBondContact NE2-O 2.85Å; D128-G130 PolarHBondContact O-N 2.88Å
129F68.7Low68.8Low5 Ų565.6 Ų65.62%0.02236%0.36CS..  trans-64.976.6178.5-41.2-70.4000110.3A33 M43 M100 I126 I131A33-F129 HydrophobicContact CB-CB 4.34Å; A33-F129 HydrophobicContact CB-CD2 4.21Å; A33-F129 HydrophobicContact CB-CG 4.34Å; M43-F129 HydrophobicContact CB-CE1 4.28Å; M43-F129 HydrophobicContact CB-CZ 4.15Å; M43-F129 HydrophobicContact CE-CD1 3.75Å; M43-F129 HydrophobicContact CE-CE1 3.11Å; M43-F129 HydrophobicContact CE-CE2 4.2Å; M43-F129 HydrophobicContact CE-CZ 3.39Å; M43-F129 HydrophobicContact CG-CE1 4.1Å; M43-F129 HydrophobicContact CG-CZ 4.43Å; M43-F129 HydrophobicContact SD-CE1 4.4Å; M100-F129 HydrophobicContact CE-CB 4.06Å; M100-F129 HydrophobicContact CE-CD1 3.81Å; M100-F129 HydrophobicContact CE-CG 4.31Å; M100-F129 HydrophobicContact SD-CD1 3.92Å; M100-F129 HydrophobicContact SD-CE1 4.45Å; I126-F129 HydrophobicContact CG2-CE1 3.95Å; F129-I131 HydrophobicContact CB-CD1 3.46Å; F129-I131 VanDerWaalsContact CB-CD1 3.46Å; F129-I131 HydrophobicContact CB-CG1 3.81Å; F129-I131 WeakPolarHBondContact O-CD1 3.4Å; F129-I131 WeakPolarHBondContact O-CG1 3.49Å; F129-I131 PolarHBondContact O-N 3.1Å
130G56.3Low66.1Low36 Ų3666.9 Ų66.937%0.37137%0.374SS..  trans-66.555.2-178.200000112.7H108 D128 S132H108-G130 CarbonylContact O-C 3.5Å; H108-G130 VanDerWaalsContact O-O 3.11Å; D128-G130 PolarHBondContact O-N 2.88Å; G130-S132 PolarHBondContact O-N 3.26Å
131I52.9Low63.3Low5 Ų564.7 Ų64.73%0.02637%0.371CS..  trans-71.999.7-166-59.2139.9000107.5I29 A33 M100 L106 F129 G133I29-I131 HydrophobicContact CB-CG2 4.48Å; I29-I131 HydrophobicContact CG2-CB 3.58Å; I29-I131 HydrophobicContact CG2-CD1 3.77Å; I29-I131 HydrophobicContact CG2-CG1 4.19Å; I29-I131 HydrophobicContact CG2-CG2 3.26Å; A33-I131 HydrophobicContact CB-CD1 3.37Å; M100-I131 HydrophobicContact CE-CG1 4.4Å; L106-I131 HydrophobicContact CB-CG2 4.38Å; L106-I131 HydrophobicContact CD1-CD1 3.73Å; L106-I131 HydrophobicContact CD1-CG1 4.11Å; L106-I131 HydrophobicContact CD1-CG2 4.38Å; L106-I131 HydrophobicContact CD2-CG2 3.75Å; L106-I131 HydrophobicContact CG-CG2 4.37Å; F129-I131 HydrophobicContact CB-CD1 3.46Å; F129-I131 VanDerWaalsContact CB-CD1 3.46Å; F129-I131 HydrophobicContact CB-CG1 3.81Å; F129-I131 WeakPolarHBondContact O-CD1 3.4Å; F129-I131 WeakPolarHBondContact O-CG1 3.49Å; F129-I131 PolarHBondContact O-N 3.1Å; I131-G133 PolarHBondContact O-N 3.2Å
132S46.5Very low60.9Low35 Ų3560.6 Ų60.625%0.24536%0.36CS..  trans-89.497157.742.90000107.9R109 G130R109-S132 WeakPolarHBondContact CD-O 3.47Å; R109-S132 WeakPolarHBondContact CD-OG 3.3Å; R109-S132 PolarHBondContact NE-O 3.28Å; R109-S132 VanDerWaalsContact NH1-CB 3.33Å; R109-S132 PolarHBondContact NH1-O 3.06Å; R109-S132 PolarHBondContact NH1-OG 3.1Å; G130-S132 PolarHBondContact O-N 3.26Å
133G45.3Very low58.5Low32 Ų3264.7 Ų64.733%0.3337%0.37SS..  trans94.6137.5157.800000116.8I131I131-G133 PolarHBondContact O-N 3.2Å
134H46.4Very low56Low97 Ų9768.8 Ų68.845%0.44939%0.393SS..BIsolated β-bridgetrans-68.6144.5158.2-79.1-74.4000109.7T136H134-T136 HydrophobicContact CB-CG2 4.48Å; H134-T136 PolarHBondContact O-N 3.06Å; H134-T136 VanDerWaalsContact O-N 3.09Å
135L43.4Very low53.7Low32 Ų3269 Ų6917%0.16840%0.397CS..THydrogen-bonded Turntrans-69.96.5176.2-85.7138.2000114.5K101 N105 M107 D137 S138K101-L135 HydrophobicContact CD-CD1 3.75Å; N105-L135 WeakPolarHBondContact OD1-CD1 3.22Å; M107-L135 HydrophobicContact CE-CD1 4.45Å; M107-L135 HydrophobicContact CE-CD2 3.79Å; M107-L135 HydrophobicContact CE-CG 3.95Å; M107-L135 HydrophobicContact CG-CD1 3.92Å; M107-L135 HydrophobicContact CG-CG 4.44Å; M107-L135 HydrophobicContact SD-CD2 4.25Å; L135-D137 PolarHBondContact O-N 3.33Å; L135-D137 VanDerWaalsContact O-N 3.09Å; L135-S138 PolarHBondContact O-OG 3.45Å
136T38Very low51.6Low105 Ų10569.8 Ų69.864%0.64441%0.411SS*.THydrogen-bonded Turntrans-62.7-20.4-171.942.80000113.6H134H134-T136 HydrophobicContact CB-CG2 4.48Å; H134-T136 PolarHBondContact O-N 3.06Å; H134-T136 VanDerWaalsContact O-N 3.09Å
137D35.3Very low49.7Very low141 Ų14171.4 Ų71.475%0.75442%0.422SS*.SBendtrans-125.590.3169.8-65.4-52.3000109.7L135 L139L135-D137 PolarHBondContact O-N 3.33Å; L135-D137 VanDerWaalsContact O-N 3.09Å; D137-L139 PolarHBondContact O-N 3.27Å
138S33.6Very low48.5Very low101 Ų10180.2 Ų80.271%0.70646%0.459SS*.  trans-66.523.3-171-68.50000116.2L135 A140L135-S138 PolarHBondContact O-OG 3.45Å; S138-A140 VanDerWaalsContact C-N 3.32Å; S138-A140 PolarHBondContact O-N 3.3Å
139L34.4Very low48Very low158 Ų15882.7 Ų82.783%0.82748%0.478SS*.  trans-94.573.7157.5-77.5160.2000107.6D137 K141D137-L139 PolarHBondContact O-N 3.27Å; L139-K141 PolarHBondContact O-N 2.88Å
140A41.3Very low48.3Very low49 Ų4988.2 Ų88.241%0.40550%0.5SS..  trans-58.489.8166.400000108S138 T142S138-A140 VanDerWaalsContact C-N 3.32Å; S138-A140 PolarHBondContact O-N 3.3Å; A140-T142 PolarHBondContact O-N 3.3Å; A140-T142 PolarHBondContact O-OG1 2.82Å; A140-T142 VanDerWaalsContact O-OG1 3.07Å
141K36.8Very low49Very low177 Ų17790.1 Ų90.177%0.7750%0.5SS*.  trans-65.991.4164.9-72.2-173.6177.6179.80105.8L139 I143L139-K141 PolarHBondContact O-N 2.88Å; K141-I143 PolarHBondContact O-N 2.82Å
142T44.9Very low49.9Very low90 Ų9094.2 Ų94.255%0.55254%0.535SS*.G310 helixtrans-67.111.9-174.6-47.50000113.6A140 N144A140-T142 PolarHBondContact O-N 3.3Å; A140-T142 PolarHBondContact O-OG1 2.82Å; A140-T142 VanDerWaalsContact O-OG1 3.07Å; T142-N144 PolarHBondContact O-N 3.19Å; T142-N144 VanDerWaalsContact O-N 3.07Å
143I44.7Very low50.8Low136 Ų13698.9 Ų98.970%0.69756%0.561SS**G310 helixtrans-62.3-28.6-165.9-58.8176.3000112.1K141K141-I143 PolarHBondContact O-N 2.82Å
144N46.9Very low51.5Low156 Ų156101 Ų10183%0.83457%0.571SS**G310 helixtrans-135.224.6-175.4-71.8-31.3000115T142T142-N144 PolarHBondContact O-N 3.19Å; T142-N144 VanDerWaalsContact O-N 3.07Å
145A50.3Low51.9Low15 Ų15103.6 Ų103.612%0.12459%0.589CS.*  trans-108.4111.2-178.400000111.8R109 M151R109-A145 HydrophobicContact CB-CB 4.49Å; R109-A145 HydrophobicContact CG-CB 4.45Å; A145-M151 WeakPolarHBondContact O-CE 3.34Å
146G54.1Low52.2Low37 Ų37110.4 Ų110.438%0.38162%0.619SS.*SBendtrans140.8160.1174.200000114.7R109R109-G146 VanDerWaalsContact O-CA 3.3Å; R109-G146 WeakPolarHBondContact O-CA 3.37Å
147C55.2Low52.2Low37 Ų37113.5 Ų113.525%0.2566%0.655CS.*  trans-84123.9164.4-166.60000108.2D110 K112 P149 Y150 M151D110-C147 WeakPolarHBondContact OD1-CB 3.43Å; K112-C147 HydrophobicContact CD-CB 4.06Å; C147-P149 VanDerWaalsContact C-N 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.42Å; C147-Y150 HydrophobicContact CB-CD2 4.03Å; C147-Y150 PolarHBondContact O-N 3.16Å; C147-M151 PolarHBondContact O-N 2.89Å
148K64.3Low53Low191 Ų191112.1 Ų112.183%0.8365%0.65SS**G310 helixtrans-44.9-40.4-171.4-67-174.4178.8-177.50115.5Y150K148-Y150 PolarHBondContact O-N 3.27Å
149P69.2Low54.1Low102 Ų102112.7 Ų112.766%0.66265%0.647SS**G310 helixtrans-70.1-15.1178.9-1731.6000114.9C147C147-P149 VanDerWaalsContact C-N 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.42Å
150Y73.7Confident55.2Low121 Ų121110.2 Ų110.248%0.47564%0.637SS.*G310 helixtrans-121.57.1-170-56.9-77.6000113.1K112 P113 C147 K148K112-Y150 HydrophobicContact CB-CD2 3.77Å; K112-Y150 HydrophobicContact CB-CE2 3.73Å; K112-Y150 HydrophobicContact CB-CG 4.39Å; P113-Y150 VanDerWaalsContact CD-CZ 3.46Å; P113-Y150 WeakPolarHBondContact CD-OH 3.45Å; P113-Y150 HydrophobicContact CG-CE1 4.36Å; C147-Y150 HydrophobicContact CB-CD2 4.03Å; C147-Y150 PolarHBondContact O-N 3.16Å; K148-Y150 PolarHBondContact O-N 3.27Å
151M71.5Confident56Low75 Ų75113.8 Ų113.837%0.36965%0.651SS.*PPolyproline II helixtrans-77.3138.3174.8-72.8179.667.700110.3A145 C147A145-M151 WeakPolarHBondContact O-CE 3.34Å; C147-M151 PolarHBondContact O-N 2.89Å
152A71.2Confident57.2Low92 Ų92109.8 Ų109.876%0.7664%0.644SS**PPolyproline II helixtrans-62.6144.116700000109.4S154A152-S154 PolarHBondContact O-N 3.17Å
153V66.8Low58Low132 Ų132111.1 Ų111.180%0.865%0.65SS**PPolyproline II helixtrans-60.7122.2174-167.20000107.3D155V153-D155 PolarHBondContact O-N 2.81Å; V153-D155 VanDerWaalsContact O-N 3.17Å
154S60.5Low58.9Low76 Ų76109.4 Ų109.453%0.53165%0.646SS.*  trans-72.7106.517050.30000107A152 H156A152-S154 PolarHBondContact O-N 3.17Å; S154-H156 PolarHBondContact O-N 3.37Å; S154-H156 PolarHBondContact OG-CD2 3.47Å; S154-H156 PolarHBondContact OG-NE2 3.17Å
155D53.4Low59.9Low153 Ų153105.8 Ų105.882%0.81863%0.632SS**  trans-60.993.7166-79.9-19.6000107.7V153 A157V153-D155 PolarHBondContact O-N 2.81Å; V153-D155 VanDerWaalsContact O-N 3.17Å; D155-A157 PolarHBondContact O-N 3.37Å
156H50.1Low60.7Low174 Ų174113.3 Ų113.381%0.80667%0.674SS**  trans-85.488.9160.3-69.7-56.2000106.4S154S154-H156 PolarHBondContact O-N 3.37Å; S154-H156 PolarHBondContact OG-CD2 3.47Å; S154-H156 PolarHBondContact OG-NE2 3.17Å
157A37.9Very low61.3Low170 Ų170120.3 Ų120.3100%1.40570%0.701SS**  trans-92.40153.100000108.7D155D155-A157 PolarHBondContact O-N 3.37Å

Retrieved 157 of 157 residues in 61.8 ms (Link to these results)

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