A0A077Z5R5_TRITR Loading...

Tyrosine-protein kinase Fps85D

AlphaFold DB , UniProt , Accession A0A077Z5R5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 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
1M65.9Low77.4Confident63 Ų6356.3 Ų56.331%0.3128%0.278SS..  0120.20-165.7157.884.100108.7D5 F9 L17 R19 M98 E152M1-D5 HydrophobicContact CG-CB 3.34Å; M1-D5 HydrophobicContact SD-CB 4.08Å; M1-F9 HydrophobicContact CE-CD2 3.64Å; M1-F9 HydrophobicContact CE-CE2 3.97Å; M1-F9 HydrophobicContact CE-CG 4.48Å; M1-F9 HydrophobicContact CG-CE2 4.45Å; M1-F9 HydrophobicContact SD-CD2 3.57Å; M1-F9 VanDerWaalsContact SD-CD2 3.57Å; M1-F9 HydrophobicContact SD-CE2 3.22Å; M1-F9 WeakPolarHBondContact SD-CE2 3.47Å; M1-F9 HydrophobicContact SD-CZ 4.05Å; M1-L17 HydrophobicContact CE-CD1 3.48Å; M1-L17 VanDerWaalsContact CE-CD1 3.48Å; M1-L17 HydrophobicContact CE-CD2 3.34Å; M1-L17 HydrophobicContact CE-CG 4.07Å; M1-R19 PolarHBondContact O-NE 3.43Å; M1-R19 PolarHBondContact O-NH2 2.97Å; M1-M98 HydrophobicContact SD-CE 4.46Å; M1-E152 PolarHBondContact N-OE1 3.17Å
2S68.1Low78.5Confident27 Ų2759.8 Ų59.819%0.18930%0.297CS..  trans-73169.2-178.2700000112D4 D5 C6 R19 R156S2-D4 VanDerWaalsContact C-N 3.33Å; S2-D5 WeakPolarHBondContact CB-OD2 3.39Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 2.81Å; S2-D5 PolarHBondContact OG-N 2.64Å; S2-D5 PolarHBondContact OG-OD2 2.83Å; S2-C6 PolarHBondContact O-SG 3.49Å; S2-R19 VanDerWaalsContact C-CZ 3.46Å; S2-R156 PolarHBondContact OG-NH2 3.47Å
3E72.1Confident79.4Confident96 Ų9661.3 Ų61.345%0.44930%0.303SS..Hα-helixtrans-64.3-40.8175.6178.4162.8-171.700111.6D5 C6 R19 Q45E3-D5 VanDerWaalsContact C-N 3.3Å; E3-D5 PolarHBondContact O-N 3.38Å; E3-C6 VanDerWaalsContact O-CB 3.28Å; E3-C6 WeakPolarHBondContact O-CB 3.2Å; E3-C6 PolarHBondContact O-N 2.74Å; E3-C6 VanDerWaalsContact O-N 3.08Å; E3-R19 VanDerWaalsContact CA-NH1 3.3Å; E3-R19 VanDerWaalsContact N-CZ 3.35Å; E3-R19 VanDerWaalsContact N-NH2 3.11Å; E3-Q45 HydrophobicContact CG-CG 4.3Å
4D70.7Confident80.3Confident88 Ų8856.9 Ų56.947%0.47128%0.282SS..Hα-helixtrans-65-34.1177.8-74.8-37000112.9S2 C6 K7S2-D4 VanDerWaalsContact C-N 3.33Å; D4-C6 PolarHBondContact O-N 2.95Å; D4-K7 WeakPolarHBondContact O-CB 3.48Å; D4-K7 PolarHBondContact O-N 3.46Å; D4-K7 IonicContact OD1-NZ 2.9Å; D4-K7 PolarHBondContact OD1-NZ 3.16Å
5D73.5Confident81.2Confident16 Ų1654.1 Ų54.19%0.08627%0.268CS..Hα-helixtrans-62.1-31.7174.6-72.5-50.1000111.7M1 S2 E3 K7 D8 F9 R156M1-D5 HydrophobicContact CG-CB 3.34Å; M1-D5 HydrophobicContact SD-CB 4.08Å; S2-D5 WeakPolarHBondContact CB-OD2 3.39Å; S2-D5 PolarHBondContact N-OD2 3.39Å; S2-D5 PolarHBondContact O-N 2.81Å; S2-D5 PolarHBondContact OG-N 2.64Å; S2-D5 PolarHBondContact OG-OD2 2.83Å; E3-D5 VanDerWaalsContact C-N 3.3Å; E3-D5 PolarHBondContact O-N 3.38Å; D5-K7 PolarHBondContact O-N 2.96Å; D5-D8 WeakPolarHBondContact O-CB 3.44Å; D5-D8 PolarHBondContact O-N 2.98Å; D5-D8 VanDerWaalsContact O-N 3.11Å; D5-F9 HydrophobicContact CB-CE2 4.19Å; D5-F9 WeakPolarHBondContact O-CD2 3.18Å; D5-F9 WeakPolarHBondContact O-CE2 3.45Å; D5-R156 VanDerWaalsContact CG-CZ 3.45Å; D5-R156 IonicContact OD1-CZ 3.57Å; D5-R156 IonicContact OD1-NE 3.92Å; D5-R156 PolarHBondContact OD1-NE 2.77Å; D5-R156 IonicContact OD1-NH1 2.68Å; D5-R156 PolarHBondContact OD1-NH1 2.86Å; D5-R156 IonicContact OD1-NH2 2.7Å; D5-R156 PolarHBondContact OD1-NH2 3.13Å; D5-R156 IonicContact OD2-CZ 2.88Å; D5-R156 IonicContact OD2-NH2 2.74Å; D5-R156 PolarHBondContact OD2-NH2 2.88Å
6C81.3Confident82Confident0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-64.4-29.9-177.4-60.10000112.2S2 E3 D4 D8 F9 L10 R19 A35 V43S2-C6 PolarHBondContact O-SG 3.49Å; E3-C6 VanDerWaalsContact O-CB 3.28Å; E3-C6 WeakPolarHBondContact O-CB 3.2Å; E3-C6 PolarHBondContact O-N 2.74Å; E3-C6 VanDerWaalsContact O-N 3.08Å; D4-C6 PolarHBondContact O-N 2.95Å; C6-D8 PolarHBondContact O-N 3.49Å; C6-F9 PolarHBondContact O-N 2.81Å; C6-L10 HydrophobicContact CB-CD1 4.33Å; C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 2.89Å; C6-R19 WeakPolarHBondContact SG-CD 3.44Å; C6-A35 HydrophobicContact CB-CB 4.29Å; C6-V43 HydrophobicContact CB-CG1 3.98Å
7K81.6Confident82.6Confident96 Ų9648.9 Ų48.942%0.41724%0.242SC..Hα-helixtrans-60.3-30.7177.1-62.8170.6-177.3160.50111.9D4 D5 R37 V43D4-K7 WeakPolarHBondContact O-CB 3.48Å; D4-K7 PolarHBondContact O-N 3.46Å; D4-K7 IonicContact OD1-NZ 2.9Å; D4-K7 PolarHBondContact OD1-NZ 3.16Å; D5-K7 PolarHBondContact O-N 2.96Å; K7-R37 PolarHBondContact O-NH2 2.99Å; K7-V43 HydrophobicContact CB-CG2 4.36Å; K7-V43 HydrophobicContact CG-CB 4.37Å; K7-V43 HydrophobicContact CG-CG2 3.77Å
8D79.4Confident82.9Confident81 Ų8149.9 Ų49.943%0.43325%0.249SC..Hα-helixtrans-76-23.6177.5-67.1-10.7000112.8D5 C6 Q11 R159D5-D8 WeakPolarHBondContact O-CB 3.44Å; D5-D8 PolarHBondContact O-N 2.98Å; D5-D8 VanDerWaalsContact O-N 3.11Å; C6-D8 PolarHBondContact O-N 3.49Å; D8-Q11 PolarHBondContact O-NE2 3.49Å; D8-R159 IonicContact OD2-NH2 3.6Å; D8-R159 PolarHBondContact OD2-NH2 3.35Å; D8-R159 VanDerWaalsContact OD2-NH2 3.16Å
9F82.7Confident83.1Confident34 Ų3448.8 Ų48.815%0.14924%0.241CC..Hα-helixtrans-100.5-32.3-176.1-61.5-69.3000113.8M1 D5 C6 L17 A92 P95 W97M1-F9 HydrophobicContact CE-CD2 3.64Å; M1-F9 HydrophobicContact CE-CE2 3.97Å; M1-F9 HydrophobicContact CE-CG 4.48Å; M1-F9 HydrophobicContact CG-CE2 4.45Å; M1-F9 HydrophobicContact SD-CD2 3.57Å; M1-F9 VanDerWaalsContact SD-CD2 3.57Å; M1-F9 HydrophobicContact SD-CE2 3.22Å; M1-F9 WeakPolarHBondContact SD-CE2 3.47Å; M1-F9 HydrophobicContact SD-CZ 4.05Å; D5-F9 HydrophobicContact CB-CE2 4.19Å; D5-F9 WeakPolarHBondContact O-CD2 3.18Å; D5-F9 WeakPolarHBondContact O-CE2 3.45Å; C6-F9 PolarHBondContact O-N 2.81Å; F9-L17 HydrophobicContact CB-CD2 3.81Å; F9-L17 HydrophobicContact CD2-CD2 4.42Å; F9-L17 HydrophobicContact CG-CD2 4.39Å; F9-A92 HydrophobicContact CB-CB 4.33Å; F9-P95 HydrophobicContact CD1-CG 4.24Å; F9-P95 HydrophobicContact CE1-CB 3.77Å; F9-P95 HydrophobicContact CE1-CG 3.41Å; F9-P95 VanDerWaalsContact CE1-CG 3.41Å; F9-P95 HydrophobicContact CZ-CG 3.96Å; F9-W97 HydrophobicContact CE1-CH2 4.35Å; F9-W97 AromaticContact CE1-CZ2 3.77Å; F9-W97 HydrophobicContact CE1-CZ2 3.77Å; F9-W97 AromaticContact CZ-CH2 3.73Å; F9-W97 HydrophobicContact CZ-CH2 3.73Å; F9-W97 AromaticContact CZ-CZ2 3.49Å; F9-W97 HydrophobicContact CZ-CZ2 3.49Å; F9-W97 VanDerWaalsContact CZ-CZ2 3.49Å
10L89.1Confident82.9Confident0 Ų049 Ų490%025%0.247CC..  trans-91.7105.9179.2-51.3-176.2000106.1C6 D15 L17 A35 R37 V43 A92C6-L10 HydrophobicContact CB-CD1 4.33Å; C6-L10 VanDerWaalsContact O-CG 3.31Å; C6-L10 WeakPolarHBondContact O-CG 3.45Å; C6-L10 PolarHBondContact O-N 2.89Å; L10-D15 HydrophobicContact CB-CB 4.19Å; L10-D15 HydrophobicContact CD2-CB 4.05Å; L10-L17 HydrophobicContact CD2-CB 4.41Å; L10-L17 HydrophobicContact CD2-CD2 3.7Å; L10-L17 HydrophobicContact CD2-CG 3.98Å; L10-L17 HydrophobicContact CG-CD2 4.14Å; L10-A35 HydrophobicContact CD1-CB 4.09Å; L10-A35 WeakPolarHBondContact CD1-O 3.39Å; L10-R37 HydrophobicContact CB-CB 3.94Å; L10-R37 PolarHBondContact O-NE 2.87Å; L10-R37 PolarHBondContact O-NH2 2.7Å; L10-V43 HydrophobicContact CB-CG2 4.4Å; L10-V43 HydrophobicContact CD1-CG1 3.84Å; L10-V43 HydrophobicContact CD1-CG2 4.11Å; L10-A92 HydrophobicContact CD2-CB 3.81Å
11Q86.9Confident82.4Confident118 Ų11848.8 Ų48.855%0.55125%0.249SC*.  trans-105.5-40.3-171.7-67.9-65.8-31.400111.4D8 D15 R37D8-Q11 PolarHBondContact O-NE2 3.49Å; Q11-D15 PolarHBondContact N-OD2 3.3Å; Q11-R37 WeakPolarHBondContact O-CD 3.48Å
12L90.6Very high82.3Confident98 Ų9852.9 Ų52.951%0.51327%0.266SS..SBendtrans-109157.7-179.8-57.4175.5000111G14 D15L12-G14 PolarHBondContact O-N 3.22Å; L12-D15 PolarHBondContact N-OD2 2.87Å; L12-D15 VanDerWaalsContact O-CB 3.24Å; L12-D15 WeakPolarHBondContact O-CB 3.43Å; L12-D15 VanDerWaalsContact O-CG 3.25Å; L12-D15 PolarHBondContact O-N 3.3Å
13E90.9Very high81.9Confident80 Ų8054.5 Ų54.537%0.37427%0.272SS..THydrogen-bonded Turntrans-54.5135.7172-173.3-166.5134.300111D15 R90E13-D15 PolarHBondContact O-N 2.78Å; E13-R90 PolarHBondContact O-NH2 3.23Å
14G91.7Very high81.1Confident0 Ų057.2 Ų57.20%029%0.289CS..THydrogen-bonded Turntrans74.41.1-178.800000114.1L12 F16 R37 V87 R89 R90L12-G14 PolarHBondContact O-N 3.22Å; G14-F16 PolarHBondContact O-N 3.25Å; G14-R37 PolarHBondContact N-O 3.43Å; G14-V87 WeakPolarHBondContact CA-O 3.47Å; G14-R89 WeakPolarHBondContact O-CA 3.49Å; G14-R89 PolarHBondContact O-N 3.43Å; G14-R90 PolarHBondContact O-N 3.24Å
15D94Very high80.3Confident15 Ų1558.6 Ų58.68%0.0830%0.301CS..EExtended strand (participates in β ladder)trans-62.6133.5162.7-68.9-3.4000108L10 Q11 L12 E13 V36 R37 R90L10-D15 HydrophobicContact CB-CB 4.19Å; L10-D15 HydrophobicContact CD2-CB 4.05Å; Q11-D15 PolarHBondContact N-OD2 3.3Å; L12-D15 PolarHBondContact N-OD2 2.87Å; L12-D15 VanDerWaalsContact O-CB 3.24Å; L12-D15 WeakPolarHBondContact O-CB 3.43Å; L12-D15 VanDerWaalsContact O-CG 3.25Å; L12-D15 PolarHBondContact O-N 3.3Å; E13-D15 PolarHBondContact O-N 2.78Å; D15-V36 WeakPolarHBondContact O-CA 3.49Å; D15-R37 PolarHBondContact O-N 2.92Å; D15-R90 CarbonylContact C-O 3.52Å; D15-R90 WeakPolarHBondContact CA-O 3.34Å; D15-R90 WeakPolarHBondContact OD1-CB 3.45Å; D15-R90 IonicContact OD1-CZ 3.66Å; D15-R90 IonicContact OD1-NE 3.16Å; D15-R90 PolarHBondContact OD1-NE 3.09Å; D15-R90 IonicContact OD1-NH2 2.63Å
16F93.6Very high79.4Confident2 Ų259.7 Ų59.71%0.00931%0.31CS..EExtended strand (participates in β ladder)trans-143.7157.5-177.273.8-83.7000113.3G14 I34 A35 V36 V70 N74 L88 R90 V91 A92G14-F16 PolarHBondContact O-N 3.25Å; F16-I34 HydrophobicContact CB-CG2 4.2Å; F16-I34 HydrophobicContact CD2-CG2 4.25Å; F16-A35 CarbonylContact C-O 3.57Å; F16-A35 WeakPolarHBondContact CA-O 3.45Å; F16-A35 WeakPolarHBondContact CB-O 3.38Å; F16-V36 HydrophobicContact CB-CB 3.93Å; F16-V36 HydrophobicContact CB-CG2 4.08Å; F16-V70 HydrophobicContact CE2-CG1 3.57Å; F16-V70 HydrophobicContact CZ-CG1 3.88Å; F16-N74 WeakPolarHBondContact CE1-ND2 3.31Å; F16-N74 HydrophobicContact CZ-CB 4.25Å; F16-L88 HydrophobicContact CB-CD2 3.74Å; F16-L88 HydrophobicContact CD1-CB 3.8Å; F16-L88 HydrophobicContact CD1-CD2 4.02Å; F16-L88 HydrophobicContact CD1-CG 4.37Å; F16-L88 HydrophobicContact CD2-CD1 4.18Å; F16-L88 HydrophobicContact CD2-CD2 4.21Å; F16-L88 HydrophobicContact CE1-CB 3.77Å; F16-L88 HydrophobicContact CE2-CD1 4.17Å; F16-L88 HydrophobicContact CG-CB 4.29Å; F16-L88 HydrophobicContact CG-CD1 4.42Å; F16-L88 HydrophobicContact CG-CD2 3.73Å; F16-L88 HydrophobicContact CG-CG 4.37Å; F16-L88 HydrophobicContact CZ-CB 4.22Å; F16-L88 HydrophobicContact CZ-CD1 4.38Å; F16-R90 WeakPolarHBondContact CD1-O 3.46Å; F16-R90 VanDerWaalsContact CE1-C 3.46Å; F16-R90 PolarHBondContact N-O 2.96Å; F16-V91 HydrophobicContact CE1-CG2 3.88Å; F16-V91 HydrophobicContact CE2-CG2 3.92Å; F16-V91 HydrophobicContact CZ-CB 4.28Å; F16-V91 HydrophobicContact CZ-CG2 3.34Å; F16-V91 CarbonylContact O-C 3.55Å; F16-V91 WeakPolarHBondContact O-CA 3.3Å; F16-A92 PolarHBondContact O-N 3.41Å
17L91.7Very high77.9Confident17 Ų1763.5 Ų63.59%0.08934%0.335CS..EExtended strand (participates in β ladder)trans-146.7157.1171.861.386.9000110.8M1 F9 L10 R19 A35 A92M1-L17 HydrophobicContact CE-CD1 3.48Å; M1-L17 VanDerWaalsContact CE-CD1 3.48Å; M1-L17 HydrophobicContact CE-CD2 3.34Å; M1-L17 HydrophobicContact CE-CG 4.07Å; F9-L17 HydrophobicContact CB-CD2 3.81Å; F9-L17 HydrophobicContact CD2-CD2 4.42Å; F9-L17 HydrophobicContact CG-CD2 4.39Å; L10-L17 HydrophobicContact CD2-CB 4.41Å; L10-L17 HydrophobicContact CD2-CD2 3.7Å; L10-L17 HydrophobicContact CD2-CG 3.98Å; L10-L17 HydrophobicContact CG-CD2 4.14Å; L17-R19 HydrophobicContact CD1-CG 3.49Å; L17-R19 VanDerWaalsContact CD1-CG 3.49Å; L17-A35 HydrophobicContact CD1-CB 3.95Å; L17-A35 HydrophobicContact CG-CB 4.19Å; L17-A35 PolarHBondContact N-O 3.49Å; L17-A35 PolarHBondContact O-N 3.05Å; L17-A92 HydrophobicContact CB-CB 4.02Å; L17-A92 HydrophobicContact CD2-CB 4.04Å
18L89.2Confident76.5Confident68 Ų6867.7 Ų67.736%0.35636%0.355SS..EExtended strand (participates in β ladder)trans-87.2135.9173.9-74.4162.2000110.3I34 I66 V70L18-I34 HydrophobicContact CD2-CG1 3.93Å; L18-I66 HydrophobicContact CD1-CG2 3.41Å; L18-I66 VanDerWaalsContact CD1-CG2 3.41Å; L18-I66 HydrophobicContact CD2-CG2 3.71Å; L18-I66 HydrophobicContact CG-CG2 4.21Å; L18-V70 HydrophobicContact CD1-CG2 3.96Å; L18-V70 HydrophobicContact CD2-CG2 3.94Å; L18-V70 HydrophobicContact CG-CG2 4.14Å
19R86.4Confident75.7Confident29 Ų2969.4 Ų69.411%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-122151.8168.2-61.7175.474.6-152.5-11.9109.6M1 S2 E3 C6 L17 W32 F33 A35M1-R19 PolarHBondContact O-NE 3.43Å; M1-R19 PolarHBondContact O-NH2 2.97Å; S2-R19 VanDerWaalsContact C-CZ 3.46Å; E3-R19 VanDerWaalsContact CA-NH1 3.3Å; E3-R19 VanDerWaalsContact N-CZ 3.35Å; E3-R19 VanDerWaalsContact N-NH2 3.11Å; C6-R19 WeakPolarHBondContact SG-CD 3.44Å; L17-R19 HydrophobicContact CD1-CG 3.49Å; L17-R19 VanDerWaalsContact CD1-CG 3.49Å; R19-W32 WeakPolarHBondContact O-CA 3.49Å; R19-F33 HydrophobicContact CB-CB 4.39Å; R19-F33 PolarHBondContact N-O 3.18Å; R19-F33 PolarHBondContact O-N 3.21Å; R19-A35 HydrophobicContact CG-CB 4.32Å
20C79.4Confident75.1Confident52 Ų5272.1 Ų72.135%0.35138%0.377SS..EExtended strand (participates in β ladder)trans-133129.3173.4-175.70000107.3T31 W32C20-T31 WeakPolarHBondContact CA-O 3.42Å; C20-W32 HydrophobicContact CB-CD2 3.93Å; C20-W32 HydrophobicContact CB-CE3 3.72Å; C20-W32 HydrophobicContact CB-CH2 3.94Å; C20-W32 HydrophobicContact CB-CZ2 4.12Å; C20-W32 HydrophobicContact CB-CZ3 3.73Å
21C70.5Confident74.6Confident44 Ų4473.9 Ų73.930%0.29739%0.388SS..EExtended strand (participates in β ladder)trans-126.1143.4177.4-65.70000108.5T31 F33C21-T31 PolarHBondContact N-O 3.34Å; C21-T31 PolarHBondContact O-N 3.21Å; C21-F33 HydrophobicContact CB-CE2 4.49Å
22K65.8Low74.6Confident150 Ų15071.5 Ų71.565%0.65237%0.373SS*.EExtended strand (participates in β ladder)trans-72.2133.9167.1-74.1-173.9173.9-1710108.2L30K22-L30 HydrophobicContact CG-CD2 3.79Å
23D57.7Low74.5Confident60 Ų6069.1 Ų69.132%0.32136%0.359SS..  trans-69.1139.1172.9-155.8-21.3000109.9T25 S26 E29D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact OD1-N 3.02Å; D23-T25 PolarHBondContact OD1-OG1 2.94Å; D23-S26 CarbonylContact O-C 3.51Å; D23-E29 PolarHBondContact N-O 3.05Å; D23-E29 VanDerWaalsContact N-O 3.07Å
24N56.4Low74.6Confident153 Ų15365.3 Ų65.382%0.81834%0.341SS*.SBendtrans-71.7-26.7179.7-80.4-19.1000111.6
25T54.2Low74.6Confident118 Ų11865.3 Ų65.372%0.72434%0.341SS*.SBendtrans-86.5-29.5178.951.30000112.8D23D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact OD1-N 3.02Å; D23-T25 PolarHBondContact OD1-OG1 2.94Å
26S55Low74.6Confident39 Ų3964.6 Ų64.627%0.27334%0.337SS..  trans-130.484.7-179.1-65.70000109.3D23 H28 E29D23-S26 CarbonylContact O-C 3.51Å; S26-H28 PolarHBondContact O-N 3.41Å; S26-E29 WeakPolarHBondContact CB-OE2 3.22Å; S26-E29 PolarHBondContact O-N 3.35Å; S26-E29 PolarHBondContact OG-OE2 3.03Å; S26-E29 VanDerWaalsContact OG-OE2 3.14Å
27P49.8Very low74.5Confident79 Ų7966 Ų6651%0.51334%0.343SS..THydrogen-bonded Turntrans-62.3-11.5-174.519.7-30.3000115
28H52.5Low74.4Confident184 Ų18465.3 Ų65.385%0.85234%0.339SS*.THydrogen-bonded Turntrans-90.7-15.9173.3-61.3-61.5000113.7S26S26-H28 PolarHBondContact O-N 3.41Å
29E61.8Low74.4Confident117 Ų11768.1 Ų68.155%0.54735%0.346SS..PPolyproline II helixtrans-95.7127.1179.7-70.2-179.7153.400110.5D23 S26D23-E29 PolarHBondContact N-O 3.05Å; D23-E29 VanDerWaalsContact N-O 3.07Å; S26-E29 WeakPolarHBondContact CB-OE2 3.22Å; S26-E29 PolarHBondContact O-N 3.35Å; S26-E29 PolarHBondContact OG-OE2 3.03Å; S26-E29 VanDerWaalsContact OG-OE2 3.14Å
30L69.4Low74.5Confident92 Ų9272.7 Ų72.748%0.48237%0.367SS..EExtended strand (participates in β ladder)trans-96.1116.7177.3-71.1176.3000108.8K22K22-L30 HydrophobicContact CG-CD2 3.79Å
31T78.7Confident74.8Confident37 Ų3775.5 Ų75.523%0.22738%0.378CS..EExtended strand (participates in β ladder)trans-89.1123.4172.3-38.30000109.2C20 C21 F33C20-T31 WeakPolarHBondContact CA-O 3.42Å; C21-T31 PolarHBondContact N-O 3.34Å; C21-T31 PolarHBondContact O-N 3.21Å; T31-F33 HydrophobicContact CG2-CD2 4.32Å; T31-F33 HydrophobicContact CG2-CE1 4.48Å; T31-F33 HydrophobicContact CG2-CE2 3.51Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å
32W87.1Confident75.7Confident67 Ų6778.2 Ų78.225%0.25439%0.388SS..EExtended strand (participates in β ladder)trans-93.6142.4177-71.990000110.6R19 C20 V48 Y56 I66R19-W32 WeakPolarHBondContact O-CA 3.49Å; C20-W32 HydrophobicContact CB-CD2 3.93Å; C20-W32 HydrophobicContact CB-CE3 3.72Å; C20-W32 HydrophobicContact CB-CH2 3.94Å; C20-W32 HydrophobicContact CB-CZ2 4.12Å; C20-W32 HydrophobicContact CB-CZ3 3.73Å; W32-V48 HydrophobicContact CB-CB 3.91Å; W32-V48 HydrophobicContact CB-CG1 4.47Å; W32-V48 PolarHBondContact O-N 3.32Å; W32-Y56 AromaticContact CD1-CE1 3.88Å; W32-I66 HydrophobicContact CD2-CD1 3.2Å; W32-I66 HydrophobicContact CE3-CD1 3.52Å; W32-I66 HydrophobicContact CG-CD1 3.66Å; W32-I66 HydrophobicContact CH2-CD1 3.84Å; W32-I66 HydrophobicContact CZ2-CD1 3.57Å; W32-I66 HydrophobicContact CZ3-CD1 3.82Å
33F89.4Confident76.8Confident48 Ų4871.9 Ų71.921%0.21136%0.362CS..EExtended strand (participates in β ladder)trans-133.4141.8175.8-63.7-93.5000110R19 C21 T31 Q45 V46 P47R19-F33 HydrophobicContact CB-CB 4.39Å; R19-F33 PolarHBondContact N-O 3.18Å; R19-F33 PolarHBondContact O-N 3.21Å; C21-F33 HydrophobicContact CB-CE2 4.49Å; T31-F33 HydrophobicContact CG2-CD2 4.32Å; T31-F33 HydrophobicContact CG2-CE1 4.48Å; T31-F33 HydrophobicContact CG2-CE2 3.51Å; T31-F33 HydrophobicContact CG2-CZ 3.6Å; F33-Q45 HydrophobicContact CD1-CB 4.08Å; F33-V46 CarbonylContact C-O 3.4Å; F33-V46 WeakPolarHBondContact CA-O 3.5Å; F33-P47 HydrophobicContact CD1-CB 3.99Å; F33-P47 HydrophobicContact CE1-CB 3.79Å
34I92.3Very high78.3Confident0 Ų070.5 Ų70.50%035%0.353CS..EExtended strand (participates in β ladder)trans-95107.5162.2-59.7179.6000106.9F16 L18 V36 V46 V48 L58 L69 V70 I80 L88F16-I34 HydrophobicContact CB-CG2 4.2Å; F16-I34 HydrophobicContact CD2-CG2 4.25Å; L18-I34 HydrophobicContact CD2-CG1 3.93Å; I34-V36 HydrophobicContact CG2-CB 4.45Å; I34-V46 HydrophobicContact CB-CB 4.49Å; I34-V46 PolarHBondContact N-O 3.38Å; I34-V46 PolarHBondContact O-N 2.87Å; I34-V48 HydrophobicContact CD1-CG2 4.17Å; I34-V48 HydrophobicContact CG1-CG2 3.93Å; I34-L58 HydrophobicContact CD1-CD2 3.56Å; I34-L69 HydrophobicContact CD1-CD2 3.81Å; I34-V70 HydrophobicContact CD1-CG2 4.47Å; I34-I80 HydrophobicContact CG2-CD1 4.19Å; I34-L88 HydrophobicContact CD1-CD1 4.1Å; I34-L88 HydrophobicContact CG2-CD1 4.3Å; I34-L88 HydrophobicContact CG2-CD2 3.82Å
35A92.1Very high79.9Confident0 Ų064.9 Ų64.90%032%0.322CS..EExtended strand (participates in β ladder)trans-81.6122.5169.400000107.8C6 L10 F16 L17 R19 V43 Q44C6-A35 HydrophobicContact CB-CB 4.29Å; L10-A35 HydrophobicContact CD1-CB 4.09Å; L10-A35 WeakPolarHBondContact CD1-O 3.39Å; F16-A35 CarbonylContact C-O 3.57Å; F16-A35 WeakPolarHBondContact CA-O 3.45Å; F16-A35 WeakPolarHBondContact CB-O 3.38Å; L17-A35 HydrophobicContact CD1-CB 3.95Å; L17-A35 HydrophobicContact CG-CB 4.19Å; L17-A35 PolarHBondContact N-O 3.49Å; L17-A35 PolarHBondContact O-N 3.05Å; R19-A35 HydrophobicContact CG-CB 4.32Å; A35-V43 HydrophobicContact CB-CG1 4.21Å; A35-Q44 WeakPolarHBondContact CA-O 3.49Å
36V93.3Very high81.6Confident0 Ų059.6 Ų59.60%029%0.29CS..EExtended strand (participates in β ladder)trans-140.2138.5-17654.40000110.5D15 F16 I34 Q44 V46 I80 V86 L88D15-V36 WeakPolarHBondContact O-CA 3.49Å; F16-V36 HydrophobicContact CB-CB 3.93Å; F16-V36 HydrophobicContact CB-CG2 4.08Å; I34-V36 HydrophobicContact CG2-CB 4.45Å; V36-Q44 HydrophobicContact CG1-CB 4.36Å; V36-Q44 PolarHBondContact N-O 3.5Å; V36-Q44 PolarHBondContact O-N 3.2Å; V36-V46 HydrophobicContact CG1-CG2 4.07Å; V36-I80 HydrophobicContact CG1-CD1 4.37Å; V36-V86 HydrophobicContact CB-CG1 4.3Å; V36-V86 HydrophobicContact CG1-CG1 3.5Å; V36-V86 VanDerWaalsContact CG1-CG1 3.5Å; V36-V86 HydrophobicContact CG2-CB 4.38Å; V36-V86 HydrophobicContact CG2-CG1 3.8Å; V36-V86 HydrophobicContact CG2-CG2 3.62Å; V36-L88 HydrophobicContact CB-CD2 4.16Å; V36-L88 HydrophobicContact CG2-CD2 3.95Å
37R91.9Very high83.2Confident32 Ų3260.5 Ų60.512%0.12129%0.294CS..EExtended strand (participates in β ladder)trans-83.2123.1174.9178.1173.8-70.8-97.71.3110.3K7 L10 Q11 G14 D15 N41 M42K7-R37 PolarHBondContact O-NH2 2.99Å; L10-R37 HydrophobicContact CB-CB 3.94Å; L10-R37 PolarHBondContact O-NE 2.87Å; L10-R37 PolarHBondContact O-NH2 2.7Å; Q11-R37 WeakPolarHBondContact O-CD 3.48Å; G14-R37 PolarHBondContact N-O 3.43Å; D15-R37 PolarHBondContact O-N 2.92Å; R37-N41 PolarHBondContact NH1-O 3.32Å; R37-M42 WeakPolarHBondContact CA-O 3.1Å
38N90.4Very high85.2Confident3 Ų357 Ų572%0.01627%0.271CS..  trans-91.4176.8178.671.116.5000112.7K40 N41 M42 V86N38-K40 PolarHBondContact O-N 3.3Å; N38-K40 VanDerWaalsContact O-N 3.17Å; N38-K40 WeakPolarHBondContact OD1-CA 3.48Å; N38-K40 WeakPolarHBondContact OD1-CB 3.48Å; N38-K40 PolarHBondContact OD1-N 2.94Å; N38-N41 PolarHBondContact O-N 3.27Å; N38-N41 PolarHBondContact OD1-N 3.49Å; N38-M42 PolarHBondContact N-O 3.25Å; N38-M42 PolarHBondContact OD1-N 2.89Å; N38-M42 VanDerWaalsContact OD1-N 3.08Å; N38-M42 PolarHBondContact OD1-O 2.89Å; N38-V86 HydrophobicContact CB-CB 4.37Å; N38-V86 HydrophobicContact CB-CG2 4.44Å
39Y88.4Confident86.8Confident127 Ų12754.7 Ų54.750%0.49826%0.259SS..THydrogen-bonded Turntrans-62.8-19-179.670.5-91.8000114.1N41Y39-N41 PolarHBondContact O-N 2.98Å
40K87.9Confident87.9Confident125 Ų12553.7 Ų53.754%0.54326%0.263SS..THydrogen-bonded Turntrans-84.910.6174.8-59.3-170.6-179.4-1790112.7N38 M42N38-K40 PolarHBondContact O-N 3.3Å; N38-K40 VanDerWaalsContact O-N 3.17Å; N38-K40 WeakPolarHBondContact OD1-CA 3.48Å; N38-K40 WeakPolarHBondContact OD1-CB 3.48Å; N38-K40 PolarHBondContact OD1-N 2.94Å; K40-M42 HydrophobicContact CB-CE 4.1Å; K40-M42 HydrophobicContact CB-CG 4.18Å; K40-M42 HydrophobicContact CD-CE 4.03Å; K40-M42 PolarHBondContact O-N 2.99Å
41N86.8Confident88.7Confident110 Ų11051 Ų5159%0.58825%0.248SC*.SBendtrans57.325.9-173.4-75.6-39.9000114R37 N38 Y39R37-N41 PolarHBondContact NH1-O 3.32Å; N38-N41 PolarHBondContact O-N 3.27Å; N38-N41 PolarHBondContact OD1-N 3.49Å; Y39-N41 PolarHBondContact O-N 2.98Å
42M88.7Confident88.9Confident102 Ų10257.6 Ų57.650%0.50228%0.282SS..PPolyproline II helixtrans-102.9146.4174.4-57.3-170.3-52.800109.8R37 N38 K40R37-M42 WeakPolarHBondContact CA-O 3.1Å; N38-M42 PolarHBondContact N-O 3.25Å; N38-M42 PolarHBondContact OD1-N 2.89Å; N38-M42 VanDerWaalsContact OD1-N 3.08Å; N38-M42 PolarHBondContact OD1-O 2.89Å; K40-M42 HydrophobicContact CB-CE 4.1Å; K40-M42 HydrophobicContact CB-CG 4.18Å; K40-M42 HydrophobicContact CD-CE 4.03Å; K40-M42 PolarHBondContact O-N 2.99Å
43V89.2Confident88.8Confident17 Ų1761.3 Ų61.310%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-84.6117.4169.6176.40000108C6 K7 L10 A35C6-V43 HydrophobicContact CB-CG1 3.98Å; K7-V43 HydrophobicContact CB-CG2 4.36Å; K7-V43 HydrophobicContact CG-CB 4.37Å; K7-V43 HydrophobicContact CG-CG2 3.77Å; L10-V43 HydrophobicContact CB-CG2 4.4Å; L10-V43 HydrophobicContact CD1-CG1 3.84Å; L10-V43 HydrophobicContact CD1-CG2 4.11Å; A35-V43 HydrophobicContact CB-CG1 4.21Å
44Q89.8Confident88.5Confident30 Ų3061.4 Ų61.414%0.1432%0.318CS..EExtended strand (participates in β ladder)trans-96.9136.2174.9-175.2173.9-2.600109.7A35 V36 V46 G84A35-Q44 WeakPolarHBondContact CA-O 3.49Å; V36-Q44 HydrophobicContact CG1-CB 4.36Å; V36-Q44 PolarHBondContact N-O 3.5Å; V36-Q44 PolarHBondContact O-N 3.2Å; Q44-V46 HydrophobicContact CG-CG2 4.06Å; Q44-G84 PolarHBondContact OE1-O 3.42Å
45Q88.6Confident88.3Confident36 Ų3666 Ų6617%0.16834%0.335CS..EExtended strand (participates in β ladder)trans-98.8109172.3-56.9-64.1-39.500108.5E3 F33 P47E3-Q45 HydrophobicContact CG-CG 4.3Å; F33-Q45 HydrophobicContact CD1-CB 4.08Å; Q45-P47 WeakPolarHBondContact O-CD 3.04Å
46V90.5Very high88.2Confident7 Ų769.2 Ų69.24%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-98.8111.6177.5-169.90000108.5F33 I34 V36 Q44 L58 I80F33-V46 CarbonylContact C-O 3.4Å; F33-V46 WeakPolarHBondContact CA-O 3.5Å; I34-V46 HydrophobicContact CB-CB 4.49Å; I34-V46 PolarHBondContact N-O 3.38Å; I34-V46 PolarHBondContact O-N 2.87Å; V36-V46 HydrophobicContact CG1-CG2 4.07Å; Q44-V46 HydrophobicContact CG-CG2 4.06Å; V46-L58 HydrophobicContact CG1-CD1 3.5Å; V46-L58 VanDerWaalsContact CG1-CD1 3.5Å; V46-I80 HydrophobicContact CB-CD1 4.32Å; V46-I80 HydrophobicContact CG1-CD1 4.46Å; V46-I80 HydrophobicContact CG2-CD1 4.04Å; V46-I80 HydrophobicContact CG2-CG1 4.37Å
47P89.5Confident88.1Confident58 Ų5870.9 Ų70.938%0.37736%0.358SS..EExtended strand (participates in β ladder)trans-68136.8-178.227.1-33.2000110.8F33 Q45F33-P47 HydrophobicContact CD1-CB 3.99Å; F33-P47 HydrophobicContact CE1-CB 3.79Å; Q45-P47 WeakPolarHBondContact O-CD 3.04Å
48V90.2Very high88Confident4 Ų469.7 Ų69.72%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-103.1112.9167.9179.30000106.3W32 I34 Y56 L69W32-V48 HydrophobicContact CB-CB 3.91Å; W32-V48 HydrophobicContact CB-CG1 4.47Å; W32-V48 PolarHBondContact O-N 3.32Å; I34-V48 HydrophobicContact CD1-CG2 4.17Å; I34-V48 HydrophobicContact CG1-CG2 3.93Å; V48-Y56 HydrophobicContact CG1-CD1 4.01Å; V48-Y56 HydrophobicContact CG1-CG 4.42Å; V48-L69 HydrophobicContact CG1-CD1 3.72Å
49K87Confident87.9Confident137 Ų13773.8 Ų73.860%0.59637%0.374SS*.EExtended strand (participates in β ladder)trans-95.2146.3-174.7-62.8-176.1-179.9-177.40110.1V57K49-V57 PolarHBondContact N-O 2.95Å; K49-V57 WeakPolarHBondContact O-CA 3.48Å; K49-V57 WeakPolarHBondContact O-CB 3.38Å; K49-V57 PolarHBondContact O-N 3.14Å
50P85.6Confident87.8Confident96 Ų9677.2 Ų77.262%0.62339%0.394SS*.EExtended strand (participates in β ladder)trans-71.6147.8164.530.3-31.9000110.6R55P50-R55 CarbonylContact C-O 3.58Å; P50-R55 VanDerWaalsContact CA-O 3.27Å; P50-R55 WeakPolarHBondContact CA-O 3.41Å
51D84.8Confident87.9Confident34 Ų3476.6 Ų76.618%0.18239%0.388CS..  trans-92178.3159.168.214.3000111.6Q53 G54 R55 V57 S62D51-Q53 PolarHBondContact O-N 3.07Å; D51-Q53 VanDerWaalsContact O-N 3.07Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.32Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.36Å; D51-Q53 PolarHBondContact OD1-N 3.47Å; D51-G54 PolarHBondContact O-N 3.36Å; D51-G54 PolarHBondContact OD1-N 3.37Å; D51-R55 PolarHBondContact N-O 2.84Å; D51-R55 WeakPolarHBondContact OD1-CB 3.39Å; D51-R55 PolarHBondContact OD1-N 3.15Å; D51-R55 IonicContact OD1-NE 3.74Å; D51-R55 WeakPolarHBondContact OD2-CB 3.3Å; D51-R55 IonicContact OD2-CZ 3.23Å; D51-R55 VanDerWaalsContact OD2-CZ 3.23Å; D51-R55 IonicContact OD2-NE 2.83Å; D51-R55 PolarHBondContact OD2-NE 2.96Å; D51-R55 IonicContact OD2-NH2 2.8Å; D51-R55 PolarHBondContact OD2-NH2 3.18Å; D51-V57 HydrophobicContact CB-CG2 3.68Å; D51-S62 PolarHBondContact OD2-OG 2.68Å
52D83.9Confident88.2Confident176 Ų17673.4 Ų73.494%0.94138%0.375SS*.THydrogen-bonded Turntrans-60.3-18.6-179.8-55.9-25.4000113.6
53Q85.2Confident88.5Confident145 Ų14569.8 Ų69.868%0.67836%0.356SS*.THydrogen-bonded Turntrans-95.94.9176.2-61.4-178.4-2.600112.3D51 R55D51-Q53 PolarHBondContact O-N 3.07Å; D51-Q53 VanDerWaalsContact O-N 3.07Å; D51-Q53 WeakPolarHBondContact OD1-CA 3.32Å; D51-Q53 WeakPolarHBondContact OD1-CB 3.36Å; D51-Q53 PolarHBondContact OD1-N 3.47Å; Q53-R55 VanDerWaalsContact C-N 3.25Å; Q53-R55 HydrophobicContact CB-CG 4.2Å; Q53-R55 PolarHBondContact O-N 3.13Å; Q53-R55 VanDerWaalsContact OE1-CZ 3.24Å
54G82.4Confident88.6Confident51 Ų5173.8 Ų73.853%0.52639%0.385SS..SBendtrans72.315.2-176.600000114D51D51-G54 PolarHBondContact O-N 3.36Å; D51-G54 PolarHBondContact OD1-N 3.37Å
55R89.2Confident88.6Confident97 Ų9774.1 Ų74.137%0.36639%0.391SS..  trans-82.2159.6175.3-58.2179.6-61.7177.93.2110.3P50 D51 Q53 S62 F63P50-R55 CarbonylContact C-O 3.58Å; P50-R55 VanDerWaalsContact CA-O 3.27Å; P50-R55 WeakPolarHBondContact CA-O 3.41Å; D51-R55 PolarHBondContact N-O 2.84Å; D51-R55 WeakPolarHBondContact OD1-CB 3.39Å; D51-R55 PolarHBondContact OD1-N 3.15Å; D51-R55 IonicContact OD1-NE 3.74Å; D51-R55 WeakPolarHBondContact OD2-CB 3.3Å; D51-R55 IonicContact OD2-CZ 3.23Å; D51-R55 VanDerWaalsContact OD2-CZ 3.23Å; D51-R55 IonicContact OD2-NE 2.83Å; D51-R55 PolarHBondContact OD2-NE 2.96Å; D51-R55 IonicContact OD2-NH2 2.8Å; D51-R55 PolarHBondContact OD2-NH2 3.18Å; Q53-R55 VanDerWaalsContact C-N 3.25Å; Q53-R55 HydrophobicContact CB-CG 4.2Å; Q53-R55 PolarHBondContact O-N 3.13Å; Q53-R55 VanDerWaalsContact OE1-CZ 3.24Å; R55-S62 VanDerWaalsContact CB-OG 3.28Å; R55-S62 WeakPolarHBondContact CB-OG 3.19Å; R55-S62 VanDerWaalsContact CZ-OG 3.28Å; R55-S62 PolarHBondContact NE-OG 3.21Å; R55-S62 PolarHBondContact NH2-OG 3.12Å; R55-F63 WeakPolarHBondContact CB-O 3.41Å
56Y89.8Confident88.6Confident67 Ų6773.5 Ų73.526%0.26339%0.388SS..EExtended strand (participates in β ladder)trans-90.4118.6-175.9-60.6-85.9000110.3W32 V48 F63 I66W32-Y56 AromaticContact CD1-CE1 3.88Å; V48-Y56 HydrophobicContact CG1-CD1 4.01Å; V48-Y56 HydrophobicContact CG1-CG 4.42Å; Y56-F63 PolarHBondContact N-O 3.27Å; Y56-F63 PolarHBondContact O-N 3.08Å; Y56-I66 HydrophobicContact CD1-CD1 3.94Å; Y56-I66 HydrophobicContact CD1-CG1 3.42Å; Y56-I66 VanDerWaalsContact CD1-CG1 3.42Å; Y56-I66 HydrophobicContact CD2-CG1 4.02Å; Y56-I66 HydrophobicContact CE1-CD1 3.47Å; Y56-I66 VanDerWaalsContact CE1-CD1 3.47Å; Y56-I66 HydrophobicContact CE1-CG1 3.4Å; Y56-I66 HydrophobicContact CE2-CG1 4.02Å; Y56-I66 HydrophobicContact CG-CG1 3.73Å
57V89.7Confident88.5Confident35 Ų3582.8 Ų82.821%0.21242%0.423CS..EExtended strand (participates in β ladder)trans-106.7130.7-179.2-176.60000111.2K49 D51 R61K49-V57 PolarHBondContact N-O 2.95Å; K49-V57 WeakPolarHBondContact O-CA 3.48Å; K49-V57 WeakPolarHBondContact O-CB 3.38Å; K49-V57 PolarHBondContact O-N 3.14Å; D51-V57 HydrophobicContact CB-CG2 3.68Å; V57-R61 VanDerWaalsContact CA-O 3.27Å; V57-R61 WeakPolarHBondContact CA-O 3.49Å
58L91Very high88.7Confident6 Ų682.6 Ų82.63%0.03142%0.42CS..EExtended strand (participates in β ladder)trans-144.5129.9171.1177.561.8000109.2I34 V46 E60 R61 L69 F73 I80I34-L58 HydrophobicContact CD1-CD2 3.56Å; V46-L58 HydrophobicContact CG1-CD1 3.5Å; V46-L58 VanDerWaalsContact CG1-CD1 3.5Å; L58-E60 VanDerWaalsContact C-N 3.31Å; L58-E60 PolarHBondContact O-N 3.13Å; L58-R61 PolarHBondContact N-O 3.02Å; L58-R61 PolarHBondContact O-N 3.08Å; L58-R61 VanDerWaalsContact O-N 3.07Å; L58-L69 HydrophobicContact CB-CD1 3.89Å; L58-L69 HydrophobicContact CB-CD2 4.38Å; L58-L69 HydrophobicContact CB-CG 4.33Å; L58-L69 HydrophobicContact CD2-CD2 3.77Å; L58-F73 HydrophobicContact CB-CE2 3.95Å; L58-F73 HydrophobicContact CB-CZ 4.33Å; L58-F73 HydrophobicContact CD2-CD2 3.84Å; L58-F73 HydrophobicContact CD2-CE2 3.68Å; L58-F73 HydrophobicContact CD2-CG 4.44Å; L58-F73 HydrophobicContact CD2-CZ 4.17Å; L58-F73 HydrophobicContact CG-CE2 3.88Å; L58-F73 HydrophobicContact CG-CZ 4.04Å; L58-I80 HydrophobicContact CD2-CG2 4.08Å; L58-I80 HydrophobicContact CG-CG2 4.46Å
59M88.3Confident88.9Confident90 Ų9082.4 Ų82.444%0.44342%0.42SS..THydrogen-bonded Turntrans49.449.8-178.8-55.2-58.7-65.200112.4R61 F73 I80 G81M59-R61 PolarHBondContact O-N 3.28Å; M59-F73 HydrophobicContact CB-CE1 4.42Å; M59-F73 HydrophobicContact CB-CZ 4.18Å; M59-F73 HydrophobicContact CG-CE1 4.41Å; M59-F73 HydrophobicContact CG-CZ 4.42Å; M59-I80 HydrophobicContact CG-CB 4.16Å; M59-I80 HydrophobicContact CG-CG2 3.99Å; M59-G81 PolarHBondContact SD-N 2.75Å
60E86.6Confident89.1Confident199 Ų19976.8 Ų76.893%0.9340%0.397SS*.THydrogen-bonded Turntrans63.23.8179.7-56175.8-178.800115.7L58L58-E60 VanDerWaalsContact C-N 3.31Å; L58-E60 PolarHBondContact O-N 3.13Å
61R89.8Confident89.5Confident111 Ų11177.7 Ų77.742%0.41939%0.393SS..EExtended strand (participates in β ladder)trans-97.5132.2172.6-64.4-173.1-178.6-1083.8110.3V57 L58 M59 F63 E78V57-R61 VanDerWaalsContact CA-O 3.27Å; V57-R61 WeakPolarHBondContact CA-O 3.49Å; L58-R61 PolarHBondContact N-O 3.02Å; L58-R61 PolarHBondContact O-N 3.08Å; L58-R61 VanDerWaalsContact O-N 3.07Å; M59-R61 PolarHBondContact O-N 3.28Å; R61-F63 HydrophobicContact CB-CD2 4.38Å; R61-F63 HydrophobicContact CB-CE2 3.43Å; R61-F63 VanDerWaalsContact CB-CE2 3.43Å; R61-F63 HydrophobicContact CB-CZ 3.72Å; R61-E78 IonicContact CZ-OE1 2.85Å; R61-E78 IonicContact CZ-OE2 3.45Å; R61-E78 IonicContact NE-OE1 2.74Å; R61-E78 IonicContact NE-OE2 3.73Å; R61-E78 PolarHBondContact NE-OE2 2.88Å; R61-E78 IonicContact NH2-OE1 3.05Å; R61-E78 PolarHBondContact NH2-OE1 3.14Å; R61-E78 VanDerWaalsContact NH2-OE1 3.15Å; R61-E78 IonicContact NH2-OE2 2.82Å; R61-E78 PolarHBondContact NH2-OE2 3.48Å
62S92.8Very high90Very high43 Ų4378.7 Ų78.730%0.30140%0.396SS..EExtended strand (participates in β ladder)trans-104.2136.4177.7-174.50000111.4D51 R55D51-S62 PolarHBondContact OD2-OG 2.68Å; R55-S62 VanDerWaalsContact CB-OG 3.28Å; R55-S62 WeakPolarHBondContact CB-OG 3.19Å; R55-S62 VanDerWaalsContact CZ-OG 3.28Å; R55-S62 PolarHBondContact NE-OG 3.21Å; R55-S62 PolarHBondContact NH2-OG 3.12Å
63F94.3Very high90.4Very high26 Ų2670.4 Ų70.411%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-132.3140.5-175.5-59.4-92.1000111.6R55 Y56 R61 S65 L69 H72 F73R55-F63 WeakPolarHBondContact CB-O 3.41Å; Y56-F63 PolarHBondContact N-O 3.27Å; Y56-F63 PolarHBondContact O-N 3.08Å; R61-F63 HydrophobicContact CB-CD2 4.38Å; R61-F63 HydrophobicContact CB-CE2 3.43Å; R61-F63 VanDerWaalsContact CB-CE2 3.43Å; R61-F63 HydrophobicContact CB-CZ 3.72Å; F63-S65 PolarHBondContact O-N 2.76Å; F63-L69 HydrophobicContact CB-CB 3.8Å; F63-L69 HydrophobicContact CD1-CB 4.21Å; F63-L69 HydrophobicContact CD2-CB 3.68Å; F63-L69 HydrophobicContact CD2-CD1 3.73Å; F63-L69 HydrophobicContact CD2-CG 3.57Å; F63-L69 HydrophobicContact CE2-CB 4.28Å; F63-L69 HydrophobicContact CE2-CD1 4.31Å; F63-L69 HydrophobicContact CE2-CG 3.88Å; F63-L69 HydrophobicContact CG-CB 3.63Å; F63-L69 HydrophobicContact CG-CD1 4.41Å; F63-L69 HydrophobicContact CG-CG 4.08Å; F63-H72 HydrophobicContact CD1-CB 4.45Å; F63-H72 HydrophobicContact CE1-CB 3.5Å; F63-H72 AromaticContact CE1-CG 3.61Å; F63-H72 HydrophobicContact CZ-CB 3.95Å; F63-H72 AromaticContact CZ-CD2 3.72Å; F63-H72 AromaticContact CZ-CG 3.81Å; F63-F73 HydrophobicContact CE2-CD2 4.42Å; F63-F73 AromaticContact CE2-CE2 3.62Å; F63-F73 HydrophobicContact CE2-CE2 3.62Å; F63-F73 HydrophobicContact CE2-CZ 4.38Å; F63-F73 HydrophobicContact CZ-CD2 4.32Å; F63-F73 AromaticContact CZ-CE2 3.75Å; F63-F73 HydrophobicContact CZ-CE2 3.75Å; F63-F73 HydrophobicContact CZ-CZ 4.45Å
64S91.5Very high90.8Very high101 Ų10165.4 Ų65.471%0.70633%0.329SS*.SBendtrans-64.5-20.6177.8560000114.4
65S90Very high91.3Very high38 Ų3867.7 Ų67.727%0.26633%0.333SS..SBendtrans-152.3155.9179.176.70000111.8F63 R67 T68 L69F63-S65 PolarHBondContact O-N 2.76Å; S65-R67 PolarHBondContact O-N 3.06Å; S65-R67 PolarHBondContact OG-N 3.29Å; S65-T68 PolarHBondContact N-OG1 2.97Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 PolarHBondContact O-OG1 3.33Å; S65-T68 WeakPolarHBondContact OG-CG2 3.39Å; S65-T68 PolarHBondContact OG-N 3.28Å; S65-T68 PolarHBondContact OG-OG1 3.2Å; S65-L69 WeakPolarHBondContact O-CB 3.38Å; S65-L69 PolarHBondContact O-N 3.11Å
66I88.5Confident91.5Very high23 Ų2365.5 Ų65.512%0.11833%0.333CS..Hα-helixtrans-59.2-35.8171.7-68.9170.3000111.5L18 W32 Y56 L69 V70L18-I66 HydrophobicContact CD1-CG2 3.41Å; L18-I66 VanDerWaalsContact CD1-CG2 3.41Å; L18-I66 HydrophobicContact CD2-CG2 3.71Å; L18-I66 HydrophobicContact CG-CG2 4.21Å; W32-I66 HydrophobicContact CD2-CD1 3.2Å; W32-I66 HydrophobicContact CE3-CD1 3.52Å; W32-I66 HydrophobicContact CG-CD1 3.66Å; W32-I66 HydrophobicContact CH2-CD1 3.84Å; W32-I66 HydrophobicContact CZ2-CD1 3.57Å; W32-I66 HydrophobicContact CZ3-CD1 3.82Å; Y56-I66 HydrophobicContact CD1-CD1 3.94Å; Y56-I66 HydrophobicContact CD1-CG1 3.42Å; Y56-I66 VanDerWaalsContact CD1-CG1 3.42Å; Y56-I66 HydrophobicContact CD2-CG1 4.02Å; Y56-I66 HydrophobicContact CE1-CD1 3.47Å; Y56-I66 VanDerWaalsContact CE1-CD1 3.47Å; Y56-I66 HydrophobicContact CE1-CG1 3.4Å; Y56-I66 HydrophobicContact CE2-CG1 4.02Å; Y56-I66 HydrophobicContact CG-CG1 3.73Å; I66-L69 PolarHBondContact O-N 3.23Å; I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 WeakPolarHBondContact O-CB 3.41Å; I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I66-V70 PolarHBondContact O-N 3.23Å
67R89.4Confident91.6Very high201 Ų20168 Ų6876%0.75834%0.342SS*.Hα-helixtrans-63.1-46.9179.6-176.7179.1178.6178.30.1111S65 V70 Q71S65-R67 PolarHBondContact O-N 3.06Å; S65-R67 PolarHBondContact OG-N 3.29Å; R67-V70 PolarHBondContact O-N 3.17Å; R67-Q71 VanDerWaalsContact O-CB 3.25Å; R67-Q71 WeakPolarHBondContact O-CB 3.12Å; R67-Q71 PolarHBondContact O-N 3.38Å
68T92.9Very high91.7Very high54 Ų5469 Ų6933%0.33134%0.344SS..Hα-helixtrans-67.4-39178.747.70000111.5S65 Q71 H72S65-T68 PolarHBondContact N-OG1 2.97Å; S65-T68 PolarHBondContact O-N 3.45Å; S65-T68 PolarHBondContact O-OG1 3.33Å; S65-T68 WeakPolarHBondContact OG-CG2 3.39Å; S65-T68 PolarHBondContact OG-N 3.28Å; S65-T68 PolarHBondContact OG-OG1 3.2Å; T68-Q71 PolarHBondContact O-N 3.11Å; T68-H72 WeakPolarHBondContact O-CB 3.42Å; T68-H72 PolarHBondContact O-N 3.11Å
69L94Very high91.7Very high1 Ų172.7 Ų72.71%0.00537%0.367CS..Hα-helixtrans-56.8-55.2171.7-176.2159.7000111.8I34 V48 L58 F63 S65 I66 Q71 H72 F73I34-L69 HydrophobicContact CD1-CD2 3.81Å; V48-L69 HydrophobicContact CG1-CD1 3.72Å; L58-L69 HydrophobicContact CB-CD1 3.89Å; L58-L69 HydrophobicContact CB-CD2 4.38Å; L58-L69 HydrophobicContact CB-CG 4.33Å; L58-L69 HydrophobicContact CD2-CD2 3.77Å; F63-L69 HydrophobicContact CB-CB 3.8Å; F63-L69 HydrophobicContact CD1-CB 4.21Å; F63-L69 HydrophobicContact CD2-CB 3.68Å; F63-L69 HydrophobicContact CD2-CD1 3.73Å; F63-L69 HydrophobicContact CD2-CG 3.57Å; F63-L69 HydrophobicContact CE2-CB 4.28Å; F63-L69 HydrophobicContact CE2-CD1 4.31Å; F63-L69 HydrophobicContact CE2-CG 3.88Å; F63-L69 HydrophobicContact CG-CB 3.63Å; F63-L69 HydrophobicContact CG-CD1 4.41Å; F63-L69 HydrophobicContact CG-CG 4.08Å; S65-L69 WeakPolarHBondContact O-CB 3.38Å; S65-L69 PolarHBondContact O-N 3.11Å; I66-L69 PolarHBondContact O-N 3.23Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; L69-Q71 PolarHBondContact O-N 3.41Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.47Å; L69-F73 HydrophobicContact CD2-CD2 4.03Å; L69-F73 HydrophobicContact CD2-CE2 4.39Å; L69-F73 HydrophobicContact CG-CD2 4.26Å; L69-F73 HydrophobicContact CG-CE2 4.28Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 2.85Å; L69-F73 VanDerWaalsContact O-N 3.14Å
70V92.4Very high91.8Very high19 Ų1968.4 Ų68.412%0.11535%0.346CS..Hα-helixtrans-62.9-42.5-178.7166.90000111.3F16 L18 I34 I66 R67 H72 N74F16-V70 HydrophobicContact CE2-CG1 3.57Å; F16-V70 HydrophobicContact CZ-CG1 3.88Å; L18-V70 HydrophobicContact CD1-CG2 3.96Å; L18-V70 HydrophobicContact CD2-CG2 3.94Å; L18-V70 HydrophobicContact CG-CG2 4.14Å; I34-V70 HydrophobicContact CD1-CG2 4.47Å; I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 WeakPolarHBondContact O-CB 3.41Å; I66-V70 WeakPolarHBondContact O-CG2 3.32Å; I66-V70 PolarHBondContact O-N 3.23Å; R67-V70 PolarHBondContact O-N 3.17Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 2.88Å; V70-N74 WeakPolarHBondContact O-CB 3.47Å; V70-N74 PolarHBondContact O-N 3.33Å
71Q92.9Very high91.6Very high115 Ų11559.4 Ų59.454%0.53731%0.306SS..Hα-helixtrans-61.7-41.8178.1-176.2173.9-6.600111.8R67 T68 L69 T75R67-Q71 VanDerWaalsContact O-CB 3.25Å; R67-Q71 WeakPolarHBondContact O-CB 3.12Å; R67-Q71 PolarHBondContact O-N 3.38Å; T68-Q71 PolarHBondContact O-N 3.11Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; L69-Q71 PolarHBondContact O-N 3.41Å; Q71-T75 VanDerWaalsContact O-CB 3.23Å; Q71-T75 WeakPolarHBondContact O-CB 3.06Å; Q71-T75 PolarHBondContact O-N 2.93Å; Q71-T75 PolarHBondContact O-OG1 3.06Å
72H94.6Very high90.8Very high55 Ų5559.1 Ų59.126%0.25532%0.321SS..Hα-helixtrans-57.7-61.2175.2-178.582.7000111.2F63 T68 L69 V70 N74 T75 S76 E78F63-H72 HydrophobicContact CD1-CB 4.45Å; F63-H72 HydrophobicContact CE1-CB 3.5Å; F63-H72 AromaticContact CE1-CG 3.61Å; F63-H72 HydrophobicContact CZ-CB 3.95Å; F63-H72 AromaticContact CZ-CD2 3.72Å; F63-H72 AromaticContact CZ-CG 3.81Å; T68-H72 WeakPolarHBondContact O-CB 3.42Å; T68-H72 PolarHBondContact O-N 3.11Å; L69-H72 WeakPolarHBondContact O-CB 3.43Å; L69-H72 PolarHBondContact O-N 3.47Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 2.88Å; H72-N74 VanDerWaalsContact C-N 3.3Å; H72-N74 PolarHBondContact O-N 2.93Å; H72-T75 PolarHBondContact O-N 2.64Å; H72-T75 VanDerWaalsContact O-N 3.09Å; H72-S76 WeakPolarHBondContact O-CB 3.25Å; H72-S76 PolarHBondContact O-N 3.47Å; H72-S76 PolarHBondContact O-OG 3.29Å; H72-S76 VanDerWaalsContact O-OG 3.06Å; H72-E78 IonicContact CD2-OE1 3.74Å; H72-E78 IonicContact CE1-OE1 3.51Å; H72-E78 IonicContact NE2-OE1 2.74Å; H72-E78 PolarHBondContact NE2-OE1 3.43Å; H72-E78 IonicContact NE2-OE2 3.15Å
73F94Very high89.8Confident1 Ų164 Ų640%0.00434%0.344CS..Hα-helixtrans-66-29.9-176.8-75.7-77000113.5L58 M59 F63 L69 R77 E78 I80 L88L58-F73 HydrophobicContact CB-CE2 3.95Å; L58-F73 HydrophobicContact CB-CZ 4.33Å; L58-F73 HydrophobicContact CD2-CD2 3.84Å; L58-F73 HydrophobicContact CD2-CE2 3.68Å; L58-F73 HydrophobicContact CD2-CG 4.44Å; L58-F73 HydrophobicContact CD2-CZ 4.17Å; L58-F73 HydrophobicContact CG-CE2 3.88Å; L58-F73 HydrophobicContact CG-CZ 4.04Å; M59-F73 HydrophobicContact CB-CE1 4.42Å; M59-F73 HydrophobicContact CB-CZ 4.18Å; M59-F73 HydrophobicContact CG-CE1 4.41Å; M59-F73 HydrophobicContact CG-CZ 4.42Å; F63-F73 HydrophobicContact CE2-CD2 4.42Å; F63-F73 AromaticContact CE2-CE2 3.62Å; F63-F73 HydrophobicContact CE2-CE2 3.62Å; F63-F73 HydrophobicContact CE2-CZ 4.38Å; F63-F73 HydrophobicContact CZ-CD2 4.32Å; F63-F73 AromaticContact CZ-CE2 3.75Å; F63-F73 HydrophobicContact CZ-CE2 3.75Å; F63-F73 HydrophobicContact CZ-CZ 4.45Å; L69-F73 HydrophobicContact CD2-CD2 4.03Å; L69-F73 HydrophobicContact CD2-CE2 4.39Å; L69-F73 HydrophobicContact CG-CD2 4.26Å; L69-F73 HydrophobicContact CG-CE2 4.28Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 PolarHBondContact O-N 2.85Å; L69-F73 VanDerWaalsContact O-N 3.14Å; F73-R77 PolarHBondContact O-N 3.34Å; F73-E78 HydrophobicContact CD1-CB 3.85Å; F73-E78 HydrophobicContact CE1-CB 4.04Å; F73-I80 HydrophobicContact CD1-CG2 3.38Å; F73-I80 HydrophobicContact CE1-CG2 3.57Å; F73-I80 HydrophobicContact CG-CG2 4.01Å; F73-I80 HydrophobicContact CZ-CG2 4.31Å; F73-L88 HydrophobicContact CB-CD1 3.79Å; F73-L88 HydrophobicContact CB-CG 4.3Å
74N92.3Very high88.7Confident40 Ų4063.1 Ų63.121%0.21434%0.342CS..Hα-helixtrans-71.7-32174.7-172.9-124.7000112.5F16 V70 H72 R77 L88 R89F16-N74 WeakPolarHBondContact CE1-ND2 3.31Å; F16-N74 HydrophobicContact CZ-CB 4.25Å; V70-N74 WeakPolarHBondContact O-CB 3.47Å; V70-N74 PolarHBondContact O-N 3.33Å; H72-N74 VanDerWaalsContact C-N 3.3Å; H72-N74 PolarHBondContact O-N 2.93Å; N74-R77 PolarHBondContact ND2-NH1 2.89Å; N74-R77 WeakPolarHBondContact O-CD 3.45Å; N74-R77 PolarHBondContact O-NE 3.31Å; N74-R77 PolarHBondContact O-NH1 3.37Å; N74-L88 HydrophobicContact CB-CB 4.44Å; N74-L88 PolarHBondContact ND2-O 3.05Å; N74-R89 PolarHBondContact ND2-O 3.21Å
75T93.7Very high88.4Confident100 Ų10061.9 Ų61.961%0.61333%0.332SS*.Hα-helixtrans-88.1-47.8-178.4-520000111.9Q71 H72 R77Q71-T75 VanDerWaalsContact O-CB 3.23Å; Q71-T75 WeakPolarHBondContact O-CB 3.06Å; Q71-T75 PolarHBondContact O-N 2.93Å; Q71-T75 PolarHBondContact O-OG1 3.06Å; H72-T75 PolarHBondContact O-N 2.64Å; H72-T75 VanDerWaalsContact O-N 3.09Å; T75-R77 PolarHBondContact O-N 2.95Å
76S93.4Very high88.4Confident51 Ų5160.2 Ų60.236%0.35732%0.32SS..Hα-helixtrans-70.3-19-178.470.90000113.2H72 E78H72-S76 WeakPolarHBondContact O-CB 3.25Å; H72-S76 PolarHBondContact O-N 3.47Å; H72-S76 PolarHBondContact O-OG 3.29Å; H72-S76 VanDerWaalsContact O-OG 3.06Å; S76-E78 WeakPolarHBondContact CB-OE1 3.41Å; S76-E78 PolarHBondContact O-N 3.39Å; S76-E78 WeakPolarHBondContact OG-CG 3.25Å; S76-E78 PolarHBondContact OG-N 2.99Å; S76-E78 PolarHBondContact OG-OE1 2.95Å
77R91.4Very high88.6Confident118 Ų11860 Ų6045%0.44532%0.32SS..  trans57.624.3-175.2-54.4-59.5-171.6-169.71.1113.2F73 N74 T75 V87 L88 R89F73-R77 PolarHBondContact O-N 3.34Å; N74-R77 PolarHBondContact ND2-NH1 2.89Å; N74-R77 WeakPolarHBondContact O-CD 3.45Å; N74-R77 PolarHBondContact O-NE 3.31Å; N74-R77 PolarHBondContact O-NH1 3.37Å; T75-R77 PolarHBondContact O-N 2.95Å; R77-V87 HydrophobicContact CB-CG1 3.69Å; R77-V87 HydrophobicContact CG-CG1 4.25Å; R77-V87 WeakPolarHBondContact O-CG2 3.2Å; R77-L88 PolarHBondContact NH1-O 3.34Å; R77-R89 VanDerWaalsContact NH1-CA 3.29Å; R77-R89 PolarHBondContact NH1-O 3.39Å; R77-R89 VanDerWaalsContact NH1-O 3.12Å
78E92Very high88.8Confident56 Ų5650.5 Ų50.526%0.26228%0.284SS..  trans-61.4143.1172.9-77.4172.6-117.200110.9R61 H72 F73 S76R61-E78 IonicContact CZ-OE1 2.85Å; R61-E78 IonicContact CZ-OE2 3.45Å; R61-E78 IonicContact NE-OE1 2.74Å; R61-E78 IonicContact NE-OE2 3.73Å; R61-E78 PolarHBondContact NE-OE2 2.88Å; R61-E78 IonicContact NH2-OE1 3.05Å; R61-E78 PolarHBondContact NH2-OE1 3.14Å; R61-E78 VanDerWaalsContact NH2-OE1 3.15Å; R61-E78 IonicContact NH2-OE2 2.82Å; R61-E78 PolarHBondContact NH2-OE2 3.48Å; H72-E78 IonicContact CD2-OE1 3.74Å; H72-E78 IonicContact CE1-OE1 3.51Å; H72-E78 IonicContact NE2-OE1 2.74Å; H72-E78 PolarHBondContact NE2-OE1 3.43Å; H72-E78 IonicContact NE2-OE2 3.15Å; F73-E78 HydrophobicContact CD1-CB 3.85Å; F73-E78 HydrophobicContact CE1-CB 4.04Å; S76-E78 WeakPolarHBondContact CB-OE1 3.41Å; S76-E78 PolarHBondContact O-N 3.39Å; S76-E78 WeakPolarHBondContact OG-CG 3.25Å; S76-E78 PolarHBondContact OG-N 2.99Å; S76-E78 PolarHBondContact OG-OE1 2.95Å
79V91.5Very high88.8Confident85 Ų8553.1 Ų53.152%0.51529%0.288SS..EExtended strand (participates in β ladder)trans-75.1138.1178.5-65.60000110.7P85 V86 V87V79-P85 HydrophobicContact CB-CB 4.03Å; V79-P85 HydrophobicContact CG1-CB 4.25Å; V79-P85 HydrophobicContact CG2-CB 4.47Å; V79-V86 WeakPolarHBondContact CA-O 3.39Å; V79-V87 HydrophobicContact CG1-CG2 3.93Å
80I90.5Very high88.8Confident0 Ų058.6 Ų58.60%031%0.308CS..EExtended strand (participates in β ladder)trans-121.2153.3174.566.3166.3000110.7I34 V36 V46 L58 M59 F73 V86 L88I34-I80 HydrophobicContact CG2-CD1 4.19Å; V36-I80 HydrophobicContact CG1-CD1 4.37Å; V46-I80 HydrophobicContact CB-CD1 4.32Å; V46-I80 HydrophobicContact CG1-CD1 4.46Å; V46-I80 HydrophobicContact CG2-CD1 4.04Å; V46-I80 HydrophobicContact CG2-CG1 4.37Å; L58-I80 HydrophobicContact CD2-CG2 4.08Å; L58-I80 HydrophobicContact CG-CG2 4.46Å; M59-I80 HydrophobicContact CG-CB 4.16Å; M59-I80 HydrophobicContact CG-CG2 3.99Å; F73-I80 HydrophobicContact CD1-CG2 3.38Å; F73-I80 HydrophobicContact CE1-CG2 3.57Å; F73-I80 HydrophobicContact CG-CG2 4.01Å; F73-I80 HydrophobicContact CZ-CG2 4.31Å; I80-V86 HydrophobicContact CG1-CG1 3.96Å; I80-V86 WeakPolarHBondContact CG1-O 3.38Å; I80-V86 PolarHBondContact N-O 3.39Å; I80-V86 PolarHBondContact O-N 3.21Å; I80-V86 VanDerWaalsContact O-N 3.09Å; I80-L88 HydrophobicContact CD1-CD1 4.33Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CD1-CG 3.97Å; I80-L88 HydrophobicContact CG1-CD2 4.35Å
81G81.8Confident88.7Confident9 Ų962.2 Ų62.29%0.09333%0.33CS..  trans84.9129.7177.100000113.7M59M59-G81 PolarHBondContact SD-N 2.75Å
82S73.3Confident88.4Confident106 Ų10657.8 Ų57.874%0.74131%0.313SS*.SBendtrans-73.3-42.4179.947.90000113G84S82-G84 PolarHBondContact O-N 3.3Å
83N71.4Confident87.7Confident146 Ų14659.2 Ų59.278%0.78133%0.334SS*.SBendtrans-96.259.8-175.1-72.9-14.9000112.7
84G71.8Confident87.2Confident7 Ų764.5 Ų64.57%0.07236%0.358CS..SBendtrans123.276.3179.600000111.6Q44 S82 V86Q44-G84 PolarHBondContact OE1-O 3.42Å; S82-G84 PolarHBondContact O-N 3.3Å; G84-V86 PolarHBondContact O-N 3.1Å
85P84.1Confident86.8Confident74 Ų7463.8 Ų63.848%0.48136%0.355SS..  trans-53.3127.6-175.6-23.833.2000111V79V79-P85 HydrophobicContact CB-CB 4.03Å; V79-P85 HydrophobicContact CG1-CB 4.25Å; V79-P85 HydrophobicContact CG2-CB 4.47Å
86V90.8Very high86.5Confident3 Ų366.9 Ų66.92%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-138.1148.2-177.765.60000110.9V36 N38 V79 I80 G84V36-V86 HydrophobicContact CB-CG1 4.3Å; V36-V86 HydrophobicContact CG1-CG1 3.5Å; V36-V86 VanDerWaalsContact CG1-CG1 3.5Å; V36-V86 HydrophobicContact CG2-CB 4.38Å; V36-V86 HydrophobicContact CG2-CG1 3.8Å; V36-V86 HydrophobicContact CG2-CG2 3.62Å; N38-V86 HydrophobicContact CB-CB 4.37Å; N38-V86 HydrophobicContact CB-CG2 4.44Å; V79-V86 WeakPolarHBondContact CA-O 3.39Å; I80-V86 HydrophobicContact CG1-CG1 3.96Å; I80-V86 WeakPolarHBondContact CG1-O 3.38Å; I80-V86 PolarHBondContact N-O 3.39Å; I80-V86 PolarHBondContact O-N 3.21Å; I80-V86 VanDerWaalsContact O-N 3.09Å; G84-V86 PolarHBondContact O-N 3.1Å
87V93.2Very high86.4Confident20 Ų2067 Ų6712%0.12135%0.352CS..EExtended strand (participates in β ladder)trans-104.3135.8179.3175.30000109.6G14 R77 V79 R89G14-V87 WeakPolarHBondContact CA-O 3.47Å; R77-V87 HydrophobicContact CB-CG1 3.69Å; R77-V87 HydrophobicContact CG-CG1 4.25Å; R77-V87 WeakPolarHBondContact O-CG2 3.2Å; V79-V87 HydrophobicContact CG1-CG2 3.93Å; V87-R89 HydrophobicContact CG1-CG 4.33Å; V87-R89 PolarHBondContact O-N 3.28Å; V87-R89 VanDerWaalsContact O-N 3.14Å
88L93.3Very high86.4Confident0 Ų062.7 Ų62.70%034%0.338CS..  trans-72.5105.5173.6-60.1-167.4000110.1F16 I34 V36 F73 N74 R77 I80F16-L88 HydrophobicContact CB-CD2 3.74Å; F16-L88 HydrophobicContact CD1-CB 3.8Å; F16-L88 HydrophobicContact CD1-CD2 4.02Å; F16-L88 HydrophobicContact CD1-CG 4.37Å; F16-L88 HydrophobicContact CD2-CD1 4.18Å; F16-L88 HydrophobicContact CD2-CD2 4.21Å; F16-L88 HydrophobicContact CE1-CB 3.77Å; F16-L88 HydrophobicContact CE2-CD1 4.17Å; F16-L88 HydrophobicContact CG-CB 4.29Å; F16-L88 HydrophobicContact CG-CD1 4.42Å; F16-L88 HydrophobicContact CG-CD2 3.73Å; F16-L88 HydrophobicContact CG-CG 4.37Å; F16-L88 HydrophobicContact CZ-CB 4.22Å; F16-L88 HydrophobicContact CZ-CD1 4.38Å; I34-L88 HydrophobicContact CD1-CD1 4.1Å; I34-L88 HydrophobicContact CG2-CD1 4.3Å; I34-L88 HydrophobicContact CG2-CD2 3.82Å; V36-L88 HydrophobicContact CB-CD2 4.16Å; V36-L88 HydrophobicContact CG2-CD2 3.95Å; F73-L88 HydrophobicContact CB-CD1 3.79Å; F73-L88 HydrophobicContact CB-CG 4.3Å; N74-L88 HydrophobicContact CB-CB 4.44Å; N74-L88 PolarHBondContact ND2-O 3.05Å; R77-L88 PolarHBondContact NH1-O 3.34Å; I80-L88 HydrophobicContact CD1-CD1 4.33Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CD1-CG 3.97Å; I80-L88 HydrophobicContact CG1-CD2 4.35Å
89R93.2Very high86.3Confident110 Ų11060.2 Ų60.242%0.41533%0.327SS..  trans-96.4-60.9-175.8-67.5-175.8-175.3-82.51.6112.5G14 N74 R77 V87G14-R89 WeakPolarHBondContact O-CA 3.49Å; G14-R89 PolarHBondContact O-N 3.43Å; N74-R89 PolarHBondContact ND2-O 3.21Å; R77-R89 VanDerWaalsContact NH1-CA 3.29Å; R77-R89 PolarHBondContact NH1-O 3.39Å; R77-R89 VanDerWaalsContact NH1-O 3.12Å; V87-R89 HydrophobicContact CG1-CG 4.33Å; V87-R89 PolarHBondContact O-N 3.28Å; V87-R89 VanDerWaalsContact O-N 3.14Å
90R93Very high86.3Confident115 Ų11558 Ų5843%0.43432%0.315SS..EExtended strand (participates in β ladder)trans-131.9127.5-169.5-69.6167.5-76-106.8-5.3110.2E13 G14 D15 F16 A92E13-R90 PolarHBondContact O-NH2 3.23Å; G14-R90 PolarHBondContact O-N 3.24Å; D15-R90 CarbonylContact C-O 3.52Å; D15-R90 WeakPolarHBondContact CA-O 3.34Å; D15-R90 WeakPolarHBondContact OD1-CB 3.45Å; D15-R90 IonicContact OD1-CZ 3.66Å; D15-R90 IonicContact OD1-NE 3.16Å; D15-R90 PolarHBondContact OD1-NE 3.09Å; D15-R90 IonicContact OD1-NH2 2.63Å; F16-R90 WeakPolarHBondContact CD1-O 3.46Å; F16-R90 VanDerWaalsContact CE1-C 3.46Å; F16-R90 PolarHBondContact N-O 2.96Å; R90-A92 PolarHBondContact O-N 2.76Å
91V90.2Very high86.2Confident96 Ų9660.1 Ų60.158%0.58233%0.326SS*.EExtended strand (participates in β ladder)trans-68.6128.1171.1-176.80000107.9F16 A93F16-V91 HydrophobicContact CE1-CG2 3.88Å; F16-V91 HydrophobicContact CE2-CG2 3.92Å; F16-V91 HydrophobicContact CZ-CB 4.28Å; F16-V91 HydrophobicContact CZ-CG2 3.34Å; F16-V91 CarbonylContact O-C 3.55Å; F16-V91 WeakPolarHBondContact O-CA 3.3Å; V91-A93 PolarHBondContact O-N 2.89Å
92A86Confident86.7Confident21 Ų2164.1 Ų64.117%0.17435%0.346CS..PPolyproline II helixtrans-61.6128.817600000109.7F9 L10 F16 L17 R90 K94F9-A92 HydrophobicContact CB-CB 4.33Å; L10-A92 HydrophobicContact CD2-CB 3.81Å; F16-A92 PolarHBondContact O-N 3.41Å; L17-A92 HydrophobicContact CB-CB 4.02Å; L17-A92 HydrophobicContact CD2-CB 4.04Å; R90-A92 PolarHBondContact O-N 2.76Å; A92-K94 PolarHBondContact O-N 3.5Å
93A82Confident87.7Confident85 Ų8559.5 Ų59.570%0.70231%0.313SS*.PPolyproline II helixtrans-63.9132.9179.300000110.2V91 P95V91-A93 PolarHBondContact O-N 2.89Å; A93-P95 WeakPolarHBondContact O-CD 3.46Å; A93-P95 VanDerWaalsContact O-N 3.16Å
94K81.7Confident88.8Confident113 Ų11353.2 Ų53.249%0.49128%0.28SS..PPolyproline II helixtrans-58121.5171.2-173.4-178.5-174.1-168.20108A92 M98 S100A92-K94 PolarHBondContact O-N 3.5Å; K94-M98 WeakPolarHBondContact CE-O 3.37Å; K94-M98 HydrophobicContact CG-CB 4.27Å; K94-M98 HydrophobicContact CG-CG 4.45Å; K94-M98 HydrophobicContact CG-SD 4.11Å; K94-M98 PolarHBondContact NZ-O 3.35Å; K94-S100 PolarHBondContact NZ-OG 3.31Å
95P84.1Confident90Very high24 Ų2456 Ų5616%0.15630%0.295CS..PPolyproline II helixtrans-64.3143.1-178.323.7-33.6000111.4F9 A93 W97 M98F9-P95 HydrophobicContact CD1-CG 4.24Å; F9-P95 HydrophobicContact CE1-CB 3.77Å; F9-P95 HydrophobicContact CE1-CG 3.41Å; F9-P95 VanDerWaalsContact CE1-CG 3.41Å; F9-P95 HydrophobicContact CZ-CG 3.96Å; A93-P95 WeakPolarHBondContact O-CD 3.46Å; A93-P95 VanDerWaalsContact O-N 3.16Å; P95-W97 HydrophobicContact CB-CD2 4.12Å; P95-W97 VanDerWaalsContact CB-CE2 3.43Å; P95-W97 HydrophobicContact CB-CG 4.47Å; P95-W97 HydrophobicContact CB-CH2 4.35Å; P95-W97 HydrophobicContact CB-CZ2 3.54Å; P95-W97 HydrophobicContact CG-CD2 4.3Å; P95-W97 HydrophobicContact CG-CH2 3.7Å; P95-W97 HydrophobicContact CG-CZ2 3.36Å; P95-W97 HydrophobicContact CG-CZ3 4.3Å; P95-W97 PolarHBondContact O-N 3.06Å; P95-W97 VanDerWaalsContact O-N 3.09Å; P95-M98 HydrophobicContact CG-CB 3.88Å; P95-M98 HydrophobicContact CG-CE 4Å; P95-M98 WeakPolarHBondContact O-CB 3.46Å; P95-M98 PolarHBondContact O-N 3.25Å
96K88.2Confident90.5Very high166 Ų16656.7 Ų56.772%0.72229%0.291SS*.THydrogen-bonded Turntrans-59.5-24.8-175-68.2-175.1178.2-178.60114.6M98 H128K96-M98 VanDerWaalsContact C-N 3.33Å; K96-H128 PolarHBondContact O-CE1 3.45Å; K96-H128 VanDerWaalsContact O-CE1 3.25Å; K96-H128 PolarHBondContact O-NE2 3.41Å
97W90.6Very high90.7Very high52 Ų5261.6 Ų61.620%0.19731%0.312CS..THydrogen-bonded Turntrans-84.8-6.917752-101.9000112.9F9 P95 L99 F169 A171 I172F9-W97 HydrophobicContact CE1-CH2 4.35Å; F9-W97 AromaticContact CE1-CZ2 3.77Å; F9-W97 HydrophobicContact CE1-CZ2 3.77Å; F9-W97 AromaticContact CZ-CH2 3.73Å; F9-W97 HydrophobicContact CZ-CH2 3.73Å; F9-W97 AromaticContact CZ-CZ2 3.49Å; F9-W97 HydrophobicContact CZ-CZ2 3.49Å; F9-W97 VanDerWaalsContact CZ-CZ2 3.49Å; P95-W97 HydrophobicContact CB-CD2 4.12Å; P95-W97 VanDerWaalsContact CB-CE2 3.43Å; P95-W97 HydrophobicContact CB-CG 4.47Å; P95-W97 HydrophobicContact CB-CH2 4.35Å; P95-W97 HydrophobicContact CB-CZ2 3.54Å; P95-W97 HydrophobicContact CG-CD2 4.3Å; P95-W97 HydrophobicContact CG-CH2 3.7Å; P95-W97 HydrophobicContact CG-CZ2 3.36Å; P95-W97 HydrophobicContact CG-CZ3 4.3Å; P95-W97 PolarHBondContact O-N 3.06Å; P95-W97 VanDerWaalsContact O-N 3.09Å; W97-L99 PolarHBondContact O-N 3.26Å; W97-F169 HydrophobicContact CB-CE1 3.75Å; W97-F169 HydrophobicContact CB-CZ 4.2Å; W97-F169 HydrophobicContact CE3-CZ 4.32Å; W97-F169 HydrophobicContact CG-CE1 4.15Å; W97-F169 HydrophobicContact CG-CZ 4.47Å; W97-A171 CarbonylContact O-C 3.6Å; W97-A171 WeakPolarHBondContact O-CA 3.39Å; W97-A171 WeakPolarHBondContact O-CB 3.34Å; W97-I172 HydrophobicContact CE3-CB 4.32Å; W97-I172 HydrophobicContact CE3-CD1 4.19Å; W97-I172 HydrophobicContact CE3-CG1 4.38Å; W97-I172 HydrophobicContact CZ3-CB 4.36Å; W97-I172 HydrophobicContact CZ3-CD1 3.9Å; W97-I172 HydrophobicContact CZ3-CG1 4.47Å; W97-I172 PolarHBondContact O-N 3.24Å
98M91Very high90.8Very high28 Ų2862.5 Ų62.514%0.13832%0.321CS..EExtended strand (participates in β ladder)trans-90.399.7172.7-172.5-177.9-6700108.5M1 K94 P95 K96 I172 I174M1-M98 HydrophobicContact SD-CE 4.46Å; K94-M98 WeakPolarHBondContact CE-O 3.37Å; K94-M98 HydrophobicContact CG-CB 4.27Å; K94-M98 HydrophobicContact CG-CG 4.45Å; K94-M98 HydrophobicContact CG-SD 4.11Å; K94-M98 PolarHBondContact NZ-O 3.35Å; P95-M98 HydrophobicContact CG-CB 3.88Å; P95-M98 HydrophobicContact CG-CE 4Å; P95-M98 WeakPolarHBondContact O-CB 3.46Å; P95-M98 PolarHBondContact O-N 3.25Å; K96-M98 VanDerWaalsContact C-N 3.33Å; M98-I172 CarbonylContact C-O 3.59Å; M98-I172 WeakPolarHBondContact CA-O 3.45Å; M98-I174 HydrophobicContact CE-CD1 3.72Å; M98-I174 HydrophobicContact CG-CD1 4.35Å; M98-I174 HydrophobicContact CG-CG1 4.17Å; M98-I174 HydrophobicContact SD-CD1 3.74Å; M98-I174 HydrophobicContact SD-CG1 4.12Å
99L91.6Very high90.9Very high5 Ų570.4 Ų70.43%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-89.3159.5-179.9-61.9-176.1000110.8W97 A103 I104 L123 H128 L129 A171 I172 V173W97-L99 PolarHBondContact O-N 3.26Å; L99-A103 HydrophobicContact CB-CB 4.14Å; L99-A103 HydrophobicContact CD1-CB 4.45Å; L99-I104 HydrophobicContact CD1-CG2 4.3Å; L99-L123 HydrophobicContact CD1-CD2 3.86Å; L99-H128 WeakPolarHBondContact CD2-CE1 3.47Å; L99-L129 HydrophobicContact CD1-CD1 4.19Å; L99-L129 HydrophobicContact CD2-CD1 4.12Å; L99-L129 HydrophobicContact CD2-CG 4.47Å; L99-L129 HydrophobicContact CG-CD1 4.49Å; L99-A171 HydrophobicContact CB-CB 4.4Å; L99-A171 HydrophobicContact CD1-CB 3.47Å; L99-A171 VanDerWaalsContact CD1-CB 3.47Å; L99-A171 HydrophobicContact CG-CB 3.57Å; L99-I172 PolarHBondContact N-O 3.18Å; L99-V173 HydrophobicContact CB-CG2 3.89Å
100S89.5Confident90.8Very high39 Ų3969.7 Ų69.727%0.27336%0.355SS..  trans-89.2158169.5-58.20000110K94 D102 A103 D175K94-S100 PolarHBondContact NZ-OG 3.31Å; S100-D102 WeakPolarHBondContact CB-OD1 3.47Å; S100-D102 PolarHBondContact O-N 3.12Å; S100-A103 VanDerWaalsContact O-CB 3.24Å; S100-A103 WeakPolarHBondContact O-CB 3.45Å; S100-A103 PolarHBondContact O-N 3.43Å; S100-D175 VanDerWaalsContact CA-OD2 3.3Å; S100-D175 WeakPolarHBondContact CA-OD2 3.49Å
101N90.5Very high90.5Very high44 Ų4465.3 Ų65.324%0.23535%0.346CS..G310 helixtrans-61.5-30.9-176.1-179.183.9000113.1A103 I104 V173 D175 K176 R180N101-A103 PolarHBondContact O-N 3.24Å; N101-I104 PolarHBondContact O-N 3.21Å; N101-V173 HydrophobicContact CB-CG1 4.05Å; N101-D175 WeakPolarHBondContact CB-OD1 3.45Å; N101-D175 VanDerWaalsContact N-CG 3.32Å; N101-D175 PolarHBondContact N-OD1 3.34Å; N101-D175 VanDerWaalsContact N-OD1 3.12Å; N101-D175 PolarHBondContact N-OD2 3.22Å; N101-K176 HydrophobicContact CB-CB 4.49Å; N101-K176 HydrophobicContact CB-CD 4.28Å; N101-K176 HydrophobicContact CB-CG 4.35Å; N101-R180 PolarHBondContact OD1-NH1 2.82Å
102D91.5Very high90.2Very high93 Ų9368.2 Ų68.250%0.49735%0.353SS..G310 helixtrans-72.8-11.3175.468.1-52.9000113.7S100 I104 N124 N126S100-D102 WeakPolarHBondContact CB-OD1 3.47Å; S100-D102 PolarHBondContact O-N 3.12Å; D102-I104 VanDerWaalsContact C-N 3.3Å; D102-N124 PolarHBondContact O-ND2 2.96Å; D102-N126 PolarHBondContact OD2-ND2 2.95Å
103A93.9Very high89.6Confident8 Ų869.6 Ų69.67%0.06637%0.369CS..G310 helixtrans-81.1-8.8176.900000113.2L99 S100 N101 L123 N124 C127L99-A103 HydrophobicContact CB-CB 4.14Å; L99-A103 HydrophobicContact CD1-CB 4.45Å; S100-A103 VanDerWaalsContact O-CB 3.24Å; S100-A103 WeakPolarHBondContact O-CB 3.45Å; S100-A103 PolarHBondContact O-N 3.43Å; N101-A103 PolarHBondContact O-N 3.24Å; A103-L123 WeakPolarHBondContact O-CA 3.45Å; A103-N124 PolarHBondContact O-N 2.8Å; A103-C127 HydrophobicContact CB-CB 4.2Å
104I94.9Very high88.9Confident15 Ų1573.7 Ų73.78%0.07737%0.373CS..EExtended strand (participates in β ladder)trans-130.7145.9-178.462167.7000112.5L99 N101 D102 T122 L123 I136 V173 V182L99-I104 HydrophobicContact CD1-CG2 4.3Å; N101-I104 PolarHBondContact O-N 3.21Å; D102-I104 VanDerWaalsContact C-N 3.3Å; I104-T122 WeakPolarHBondContact CA-O 3.11Å; I104-L123 HydrophobicContact CG2-CD2 3.61Å; I104-I136 HydrophobicContact CB-CD1 4.42Å; I104-I136 HydrophobicContact CD1-CD1 4.21Å; I104-I136 HydrophobicContact CD1-CG2 4.26Å; I104-V173 HydrophobicContact CD1-CB 4.33Å; I104-V173 HydrophobicContact CD1-CG2 3.71Å; I104-V173 HydrophobicContact CG1-CG2 4.23Å; I104-V173 HydrophobicContact CG2-CG2 4.49Å; I104-V182 HydrophobicContact CD1-CG2 4.37Å; I104-V182 HydrophobicContact CG2-CG2 4.48Å
105T95.8Very high88.3Confident65 Ų6570.3 Ų70.340%0.39937%0.37SS..EExtended strand (participates in β ladder)trans-129.3129.9173.4-57.60000109.8G121 T122 N124T105-G121 CarbonylContact O-C 3.58Å; T105-G121 WeakPolarHBondContact O-CA 3.23Å; T105-T122 PolarHBondContact N-O 2.92Å; T105-T122 PolarHBondContact O-N 3.17Å; T105-N124 WeakPolarHBondContact CB-OD1 3.41Å; T105-N124 VanDerWaalsContact OG1-CG 3.26Å; T105-N124 PolarHBondContact OG1-ND2 3.41Å; T105-N124 PolarHBondContact OG1-OD1 2.9Å
106K95.1Very high88.1Confident89 Ų8969.9 Ų69.939%0.38737%0.37SS..EExtended strand (participates in β ladder)trans-87.3140173.1-59.4-178.8-63175.70109.2W119 I136 L138K106-W119 HydrophobicContact CB-CB 4.24Å; K106-W119 HydrophobicContact CB-CD2 4.3Å; K106-W119 HydrophobicContact CB-CE3 3.96Å; K106-W119 HydrophobicContact CB-CG 4.45Å; K106-W119 HydrophobicContact CD-CB 4.08Å; K106-W119 HydrophobicContact CD-CD2 4.03Å; K106-W119 HydrophobicContact CD-CE3 4.48Å; K106-W119 HydrophobicContact CD-CG 3.84Å; K106-W119 HydrophobicContact CG-CB 4.12Å; K106-W119 HydrophobicContact CG-CG 4.36Å; K106-I136 HydrophobicContact CG-CD1 3.84Å; K106-L138 HydrophobicContact CD-CD1 4.03Å; K106-L138 HydrophobicContact CD-CD2 4.11Å
107F95.4Very high88.3Confident106 Ų10663.4 Ų63.447%0.46535%0.346SS..EExtended strand (participates in β ladder)trans-130-23.5176.764.9-106.4000115A120 G121 T122F107-A120 HydrophobicContact CD2-CB 4.33Å; F107-A120 HydrophobicContact CE1-CB 4.25Å; F107-A120 HydrophobicContact CE2-CB 3.57Å; F107-A120 HydrophobicContact CZ-CB 3.52Å; F107-A120 PolarHBondContact N-O 3.46Å; F107-G121 VanDerWaalsContact CD1-CA 3.41Å; F107-G121 WeakPolarHBondContact CE1-O 3.27Å; F107-T122 HydrophobicContact CD1-CG2 4.2Å; F107-T122 HydrophobicContact CE1-CG2 3.96Å
108A95.7Very high88.4Confident38 Ų3863 Ų6331%0.31435%0.349SS..EExtended strand (participates in β ladder)trans-149.8136.3177.500000111.9W119 A120A108-W119 CarbonylContact O-C 3.5Å; A108-W119 VanDerWaalsContact O-CA 3.23Å; A108-W119 WeakPolarHBondContact O-CA 3.36Å; A108-A120 HydrophobicContact CB-CB 4.42Å; A108-A120 PolarHBondContact N-O 2.88Å; A108-A120 PolarHBondContact O-N 2.73Å
109R94.4Very high88.7Confident166 Ų16664.8 Ų64.863%0.62635%0.354SS*.EExtended strand (participates in β ladder)trans-80.1122.9173.8-168.7173.166.3-169.61.7109.4W119R109-W119 HydrophobicContact CB-CD2 3.89Å; R109-W119 HydrophobicContact CB-CE3 4.02Å; R109-W119 HydrophobicContact CB-CH2 4.03Å; R109-W119 HydrophobicContact CB-CZ2 3.91Å; R109-W119 HydrophobicContact CB-CZ3 4.08Å; R109-W119 HydrophobicContact CG-CD2 4.28Å; R109-W119 HydrophobicContact CG-CZ2 4.17Å
110I92.4Very high89Confident95 Ų9564.8 Ų64.849%0.48736%0.355SS..EExtended strand (participates in β ladder)trans-112.3-10.6-176.460.1174.1000113.4V118 A120 A135 L185I110-V118 HydrophobicContact CD1-CG1 3.89Å; I110-V118 HydrophobicContact CG1-CB 4.13Å; I110-V118 HydrophobicContact CG1-CG1 3.78Å; I110-V118 WeakPolarHBondContact CG1-O 3.34Å; I110-V118 PolarHBondContact N-O 2.81Å; I110-A120 HydrophobicContact CD1-CB 4.41Å; I110-A120 HydrophobicContact CG2-CB 3.83Å; I110-A135 HydrophobicContact CD1-CB 4.29Å; I110-L185 HydrophobicContact CD1-CD1 3.8Å
111G86Confident89.3Confident24 Ų2462.9 Ų62.925%0.24734%0.342CS..EExtended strand (participates in β ladder)trans-163156.9176.600000112.7V118G111-V118 PolarHBondContact N-O 3.47Å; G111-V118 PolarHBondContact O-N 2.68Å
112H84.3Confident89.7Confident157 Ų15762.4 Ų62.473%0.72734%0.34SS*.EExtended strand (participates in β ladder)trans-149.5149.6171.270.6-78.5000109.6G116H112-G116 WeakPolarHBondContact CA-O 3.43Å
113G72.3Confident89.9Confident49 Ų4958 Ų5851%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-171.8-170.3178.400000111.9G115 G116G113-G115 PolarHBondContact O-N 3.14Å; G113-G116 PolarHBondContact N-O 3.04Å; G113-G116 PolarHBondContact O-N 3.22Å; G113-G116 VanDerWaalsContact O-O 3.12Å
114Q68.9Low89.9Confident172 Ų17259.2 Ų59.280%0.80432%0.322SS*.THydrogen-bonded Turntrans-60.6-28.1-178.2-68.9-169.710.600113.5G116Q114-G116 VanDerWaalsContact C-N 3.31Å; Q114-G116 PolarHBondContact O-N 3.28Å
115G67.8Low89.7Confident41 Ų4164.7 Ų64.742%0.42335%0.351SS..THydrogen-bonded Turntrans-842.7178.300000115.1G113G113-G115 PolarHBondContact O-N 3.14Å
116G81.3Confident89.2Confident15 Ų1566.4 Ų66.416%0.15536%0.358CS..EExtended strand (participates in β ladder)trans116.5-145.3-179.200000113.6H112 G113 Q114 L138H112-G116 WeakPolarHBondContact CA-O 3.43Å; G113-G116 PolarHBondContact N-O 3.04Å; G113-G116 PolarHBondContact O-N 3.22Å; G113-G116 VanDerWaalsContact O-O 3.12Å; Q114-G116 VanDerWaalsContact C-N 3.31Å; Q114-G116 PolarHBondContact O-N 3.28Å; G116-L138 WeakPolarHBondContact CA-O 3.34Å
117S91.1Very high88.8Confident30 Ų3062.5 Ų62.521%0.2134%0.342CS..EExtended strand (participates in β ladder)trans-125.5149.2-174.466.80000112.4W119 K137 L138S117-W119 PolarHBondContact OG-NE1 3.26Å; S117-K137 WeakPolarHBondContact O-CA 3.47Å; S117-L138 PolarHBondContact N-O 3.26Å; S117-L138 PolarHBondContact O-N 2.81Å
118V93.7Very high88.5Confident45 Ų4563.1 Ų63.127%0.27335%0.346SS..EExtended strand (participates in β ladder)trans-116.5129.4175.8-170.20000108.7I110 G111 A135 I136 K137I110-V118 HydrophobicContact CD1-CG1 3.89Å; I110-V118 HydrophobicContact CG1-CB 4.13Å; I110-V118 HydrophobicContact CG1-CG1 3.78Å; I110-V118 WeakPolarHBondContact CG1-O 3.34Å; I110-V118 PolarHBondContact N-O 2.81Å; G111-V118 PolarHBondContact N-O 3.47Å; G111-V118 PolarHBondContact O-N 2.68Å; V118-A135 HydrophobicContact CG1-CB 4.37Å; V118-I136 CarbonylContact C-O 3.43Å; V118-I136 WeakPolarHBondContact CA-O 3.43Å; V118-K137 HydrophobicContact CG2-CB 4.32Å; V118-K137 HydrophobicContact CG2-CG 4.14Å
119W96.6Very high88.3Confident65 Ų6564.1 Ų64.125%0.24635%0.346CS..EExtended strand (participates in β ladder)trans-121.7139.3-178.7-69.570.2000110.8K106 A108 R109 S117 A135 I136 L138K106-W119 HydrophobicContact CB-CB 4.24Å; K106-W119 HydrophobicContact CB-CD2 4.3Å; K106-W119 HydrophobicContact CB-CE3 3.96Å; K106-W119 HydrophobicContact CB-CG 4.45Å; K106-W119 HydrophobicContact CD-CB 4.08Å; K106-W119 HydrophobicContact CD-CD2 4.03Å; K106-W119 HydrophobicContact CD-CE3 4.48Å; K106-W119 HydrophobicContact CD-CG 3.84Å; K106-W119 HydrophobicContact CG-CB 4.12Å; K106-W119 HydrophobicContact CG-CG 4.36Å; A108-W119 CarbonylContact O-C 3.5Å; A108-W119 VanDerWaalsContact O-CA 3.23Å; A108-W119 WeakPolarHBondContact O-CA 3.36Å; R109-W119 HydrophobicContact CB-CD2 3.89Å; R109-W119 HydrophobicContact CB-CE3 4.02Å; R109-W119 HydrophobicContact CB-CH2 4.03Å; R109-W119 HydrophobicContact CB-CZ2 3.91Å; R109-W119 HydrophobicContact CB-CZ3 4.08Å; R109-W119 HydrophobicContact CG-CD2 4.28Å; R109-W119 HydrophobicContact CG-CZ2 4.17Å; S117-W119 PolarHBondContact OG-NE1 3.26Å; W119-A135 CarbonylContact O-C 3.51Å; W119-A135 WeakPolarHBondContact O-CA 3.4Å; W119-I136 HydrophobicContact CB-CB 4.46Å; W119-I136 PolarHBondContact N-O 2.93Å; W119-I136 PolarHBondContact O-N 3.38Å; W119-L138 HydrophobicContact CB-CD1 4.47Å; W119-L138 HydrophobicContact CG-CD1 4.1Å
120A97.3Very high88.1Confident4 Ų457.9 Ų57.93%0.03333%0.333CS..EExtended strand (participates in β ladder)trans-72.5138.8157.700000109.1F107 A108 I110 V134 L185F107-A120 HydrophobicContact CD2-CB 4.33Å; F107-A120 HydrophobicContact CE1-CB 4.25Å; F107-A120 HydrophobicContact CE2-CB 3.57Å; F107-A120 HydrophobicContact CZ-CB 3.52Å; F107-A120 PolarHBondContact N-O 3.46Å; A108-A120 HydrophobicContact CB-CB 4.42Å; A108-A120 PolarHBondContact N-O 2.88Å; A108-A120 PolarHBondContact O-N 2.73Å; I110-A120 HydrophobicContact CD1-CB 4.41Å; I110-A120 HydrophobicContact CG2-CB 3.83Å; A120-V134 WeakPolarHBondContact CA-O 3.34Å; A120-L185 HydrophobicContact CB-CD1 3.99Å; A120-L185 HydrophobicContact CB-CD2 4.14Å
121G97.4Very high88.1Confident0 Ų060.5 Ų60.50%034%0.341CS..EExtended strand (participates in β ladder)trans-153.9-176.2-177.100000112.3T105 F107 Q133 V134T105-G121 CarbonylContact O-C 3.58Å; T105-G121 WeakPolarHBondContact O-CA 3.23Å; F107-G121 VanDerWaalsContact CD1-CA 3.41Å; F107-G121 WeakPolarHBondContact CE1-O 3.27Å; G121-Q133 CarbonylContact O-C 3.38Å; G121-Q133 WeakPolarHBondContact O-CA 3.47Å; G121-V134 PolarHBondContact N-O 3.39Å; G121-V134 PolarHBondContact O-N 3.08Å
122T97.5Very high88.5Confident33 Ų3363.1 Ų63.120%0.20235%0.347CS..EExtended strand (participates in β ladder)trans-127.5142.1175540000110.4I104 T105 F107 Q132 Q133I104-T122 WeakPolarHBondContact CA-O 3.11Å; T105-T122 PolarHBondContact N-O 2.92Å; T105-T122 PolarHBondContact O-N 3.17Å; F107-T122 HydrophobicContact CD1-CG2 4.2Å; F107-T122 HydrophobicContact CE1-CG2 3.96Å; T122-Q132 CarbonylContact C-O 3.58Å; T122-Q132 WeakPolarHBondContact CA-O 3.43Å; T122-Q133 HydrophobicContact CG2-CG 4.39Å
123L96.5Very high89.1Confident0 Ų061.4 Ų61.40%034%0.339CS..EExtended strand (participates in β ladder)trans-68.2129.3154.1-56.7-169.4000107.8L99 A103 I104 C127 L129 Q132 V134 I170 V182L99-L123 HydrophobicContact CD1-CD2 3.86Å; A103-L123 WeakPolarHBondContact O-CA 3.45Å; I104-L123 HydrophobicContact CG2-CD2 3.61Å; L123-C127 HydrophobicContact CB-CB 4.18Å; L123-L129 HydrophobicContact CD1-CB 3.75Å; L123-L129 HydrophobicContact CD1-CD1 4.26Å; L123-Q132 HydrophobicContact CB-CG 4.28Å; L123-Q132 HydrophobicContact CD1-CG 3.62Å; L123-Q132 HydrophobicContact CG-CG 3.82Å; L123-Q132 PolarHBondContact N-O 3.07Å; L123-V134 HydrophobicContact CD1-CG1 4.43Å; L123-V134 HydrophobicContact CD2-CG1 3.9Å; L123-V134 HydrophobicContact CD2-CG2 4.29Å; L123-V134 HydrophobicContact CG-CG1 3.75Å; L123-I170 HydrophobicContact CD1-CG2 4.07Å; L123-V182 HydrophobicContact CD2-CG1 4.18Å
124N94.3Very high90.3Very high34 Ų3459 Ų5918%0.18232%0.315CS..  trans-74.4162.5-177.3-66.6-16.3000111D102 A103 T105 N126 C127D102-N124 PolarHBondContact O-ND2 2.96Å; A103-N124 PolarHBondContact O-N 2.8Å; T105-N124 WeakPolarHBondContact CB-OD1 3.41Å; T105-N124 VanDerWaalsContact OG1-CG 3.26Å; T105-N124 PolarHBondContact OG1-ND2 3.41Å; T105-N124 PolarHBondContact OG1-OD1 2.9Å; N124-N126 WeakPolarHBondContact CB-OD1 3.47Å; N124-N126 PolarHBondContact O-N 3.39Å; N124-C127 WeakPolarHBondContact O-CB 3.41Å; N124-C127 PolarHBondContact O-N 3.14Å
125N89.5Confident91.6Very high130 Ų13051.4 Ų51.470%0.69528%0.281SS*.THydrogen-bonded Turntrans-60.4-29.9-176.4-70.4-11.3000113.4C127 K131N125-C127 PolarHBondContact O-N 3.32Å; N125-K131 WeakPolarHBondContact OD1-CD 3.42Å
126N85.7Confident93Very high101 Ų10149.4 Ų49.454%0.5426%0.261SS..THydrogen-bonded Turntrans-75.6-5.9176.863.6-22.2000113.3D102 N124D102-N126 PolarHBondContact OD2-ND2 2.95Å; N124-N126 WeakPolarHBondContact CB-OD1 3.47Å; N124-N126 PolarHBondContact O-N 3.39Å
127C87.2Confident93.6Very high8 Ų850.6 Ų50.65%0.05426%0.262CS..  trans-77.7126.4177.9-1740000110.7A103 L123 N124 N125 L129 G130A103-C127 HydrophobicContact CB-CB 4.2Å; L123-C127 HydrophobicContact CB-CB 4.18Å; N124-C127 WeakPolarHBondContact O-CB 3.41Å; N124-C127 PolarHBondContact O-N 3.14Å; N125-C127 PolarHBondContact O-N 3.32Å; C127-L129 PolarHBondContact O-N 3.01Å; C127-G130 PolarHBondContact O-N 3.37Å
128H88.8Confident93.6Very high118 Ų11849.5 Ų49.555%0.54625%0.254SS..THydrogen-bonded Turntrans-64.4-12178.363.1-84.4000114.3K96 L99 G130K96-H128 PolarHBondContact O-CE1 3.45Å; K96-H128 VanDerWaalsContact O-CE1 3.25Å; K96-H128 PolarHBondContact O-NE2 3.41Å; L99-H128 WeakPolarHBondContact CD2-CE1 3.47Å; H128-G130 VanDerWaalsContact C-N 3.26Å
129L90.4Very high93.3Very high59 Ų5948 Ų4831%0.30924%0.244SC..THydrogen-bonded Turntrans-84.40.9173-59.3-179.5000113.2L99 L123 C127 Q132 I170L99-L129 HydrophobicContact CD1-CD1 4.19Å; L99-L129 HydrophobicContact CD2-CD1 4.12Å; L99-L129 HydrophobicContact CD2-CG 4.47Å; L99-L129 HydrophobicContact CG-CD1 4.49Å; L123-L129 HydrophobicContact CD1-CB 3.75Å; L123-L129 HydrophobicContact CD1-CD1 4.26Å; C127-L129 PolarHBondContact O-N 3.01Å; L129-Q132 PolarHBondContact O-NE2 3.41Å; L129-I170 HydrophobicContact CD1-CG2 3.89Å
130G90.3Very high92.7Very high35 Ų3547.4 Ų47.436%0.36125%0.248SC..  trans76.5155.7-178.700000113.4C127 H128 Q132C127-G130 PolarHBondContact O-N 3.37Å; H128-G130 VanDerWaalsContact C-N 3.26Å; G130-Q132 PolarHBondContact O-N 3.16Å
131K92.3Very high91.9Very high150 Ų15054.3 Ų54.365%0.65228%0.279SS*.SBendtrans-65.2120178.6-173.6-173.6-167.2164.60110.3N125N125-K131 WeakPolarHBondContact OD1-CD 3.42Å
132Q94.8Very high91.2Very high79 Ų7961.7 Ų61.737%0.36932%0.319SS..  trans-153.6154.5174.761.2-176.4-60.500111.4T122 L123 L129 G130 V134T122-Q132 CarbonylContact C-O 3.58Å; T122-Q132 WeakPolarHBondContact CA-O 3.43Å; L123-Q132 HydrophobicContact CB-CG 4.28Å; L123-Q132 HydrophobicContact CD1-CG 3.62Å; L123-Q132 HydrophobicContact CG-CG 3.82Å; L123-Q132 PolarHBondContact N-O 3.07Å; L129-Q132 PolarHBondContact O-NE2 3.41Å; G130-Q132 PolarHBondContact O-N 3.16Å; Q132-V134 HydrophobicContact CG-CG1 4.13Å
133Q96.6Very high90.4Very high121 Ų12161.1 Ų61.157%0.56532%0.317SS*.EExtended strand (participates in β ladder)trans-75.7138.9172.6-72-176.1-3000111.2G121 T122 L185G121-Q133 CarbonylContact O-C 3.38Å; G121-Q133 WeakPolarHBondContact O-CA 3.47Å; T122-Q133 HydrophobicContact CG2-CG 4.39Å; Q133-L185 HydrophobicContact CB-CB 4.3Å; Q133-L185 HydrophobicContact CB-CD2 3.91Å
134V97.8Very high89.8Confident0 Ų068 Ų680%035%0.347CS..EExtended strand (participates in β ladder)trans-138.1157.6-173.5-63.90000111.6A120 G121 L123 Q132 I136 I170 V182 T183A120-V134 WeakPolarHBondContact CA-O 3.34Å; G121-V134 PolarHBondContact N-O 3.39Å; G121-V134 PolarHBondContact O-N 3.08Å; L123-V134 HydrophobicContact CD1-CG1 4.43Å; L123-V134 HydrophobicContact CD2-CG1 3.9Å; L123-V134 HydrophobicContact CD2-CG2 4.29Å; L123-V134 HydrophobicContact CG-CG1 3.75Å; Q132-V134 HydrophobicContact CG-CG1 4.13Å; V134-I136 HydrophobicContact CG2-CD1 4.1Å; V134-I136 HydrophobicContact CG2-CG1 3.88Å; V134-I170 HydrophobicContact CG1-CD1 3.7Å; V134-V182 HydrophobicContact CB-CG1 3.62Å; V134-V182 HydrophobicContact CG1-CG1 3.84Å; V134-V182 HydrophobicContact CG2-CG1 3.8Å; V134-T183 WeakPolarHBondContact CA-O 3.47Å; V134-T183 WeakPolarHBondContact CB-O 3.45Å
135A97.3Very high89.1Confident11 Ų1171.3 Ų71.39%0.09137%0.37CS..EExtended strand (participates in β ladder)trans-99.6136.2163.200000109I110 V118 W119 V182 T183 L185I110-A135 HydrophobicContact CD1-CB 4.29Å; V118-A135 HydrophobicContact CG1-CB 4.37Å; W119-A135 CarbonylContact O-C 3.51Å; W119-A135 WeakPolarHBondContact O-CA 3.4Å; A135-V182 WeakPolarHBondContact O-CA 3.45Å; A135-T183 PolarHBondContact N-O 3.35Å; A135-T183 PolarHBondContact O-N 3.16Å; A135-L185 HydrophobicContact CB-CD1 4.05Å
136I95.8Very high88.7Confident0 Ų072.6 Ų72.60%037%0.372CS..EExtended strand (participates in β ladder)trans-123103-173.9-55.6167.2000106.7I104 K106 V118 W119 V134 L138 R180 L181I104-I136 HydrophobicContact CB-CD1 4.42Å; I104-I136 HydrophobicContact CD1-CD1 4.21Å; I104-I136 HydrophobicContact CD1-CG2 4.26Å; K106-I136 HydrophobicContact CG-CD1 3.84Å; V118-I136 CarbonylContact C-O 3.43Å; V118-I136 WeakPolarHBondContact CA-O 3.43Å; W119-I136 HydrophobicContact CB-CB 4.46Å; W119-I136 PolarHBondContact N-O 2.93Å; W119-I136 PolarHBondContact O-N 3.38Å; V134-I136 HydrophobicContact CG2-CD1 4.1Å; V134-I136 HydrophobicContact CG2-CG1 3.88Å; I136-L138 HydrophobicContact CG2-CD1 3.98Å; I136-L138 HydrophobicContact CG2-CG 4.3Å; I136-L138 WeakPolarHBondContact O-CD1 3.38Å; I136-R180 HydrophobicContact CG2-CB 3.93Å; I136-R180 HydrophobicContact CG2-CG 4.34Å; I136-L181 WeakPolarHBondContact CA-O 3.49Å
137K94Very high88.6Confident39 Ų3971.2 Ų71.217%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-86122.8171.8-172.5178.4176.4-178.20107.6S117 V118 F151 E154 R180 L181 D246S117-K137 WeakPolarHBondContact O-CA 3.47Å; V118-K137 HydrophobicContact CG2-CB 4.32Å; V118-K137 HydrophobicContact CG2-CG 4.14Å; K137-F151 HydrophobicContact CD-CE2 4.19Å; K137-F151 HydrophobicContact CG-CE2 4.01Å; K137-F151 HydrophobicContact CG-CZ 4.48Å; K137-F151 WeakPolarHBondContact O-CZ 3.42Å; K137-E154 IonicContact NZ-OE1 3.12Å; K137-E154 PolarHBondContact NZ-OE1 3.4Å; K137-E154 IonicContact NZ-OE2 3.99Å; K137-E154 PolarHBondContact NZ-OE2 3.03Å; K137-R180 CarbonylContact O-C 3.59Å; K137-R180 VanDerWaalsContact O-CA 3.31Å; K137-R180 WeakPolarHBondContact O-CA 3.46Å; K137-L181 HydrophobicContact CB-CB 4.38Å; K137-L181 PolarHBondContact N-O 3.1Å; K137-L181 PolarHBondContact O-N 2.77Å; K137-D246 IonicContact NZ-OD1 2.8Å; K137-D246 PolarHBondContact NZ-OD1 2.98Å
138L92.4Very high88.4Confident8 Ų872.8 Ų72.84%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-107.3132.1178-6191000108.7K106 G116 S117 W119 I136 P178 R180K106-L138 HydrophobicContact CD-CD1 4.03Å; K106-L138 HydrophobicContact CD-CD2 4.11Å; G116-L138 WeakPolarHBondContact CA-O 3.34Å; S117-L138 PolarHBondContact N-O 3.26Å; S117-L138 PolarHBondContact O-N 2.81Å; W119-L138 HydrophobicContact CB-CD1 4.47Å; W119-L138 HydrophobicContact CG-CD1 4.1Å; I136-L138 HydrophobicContact CG2-CD1 3.98Å; I136-L138 HydrophobicContact CG2-CG 4.3Å; I136-L138 WeakPolarHBondContact O-CD1 3.38Å; L138-P178 HydrophobicContact CB-CG 4.24Å; L138-P178 HydrophobicContact CD2-CG 4.01Å; L138-R180 HydrophobicContact CD2-CG 4.3Å; L138-R180 HydrophobicContact CG-CG 4.09Å
139L86.1Confident88Confident12 Ų1269.2 Ų69.26%0.06336%0.363CS..  trans-65.9154.3163.4-169.162000109.6A143 Q147 V148 F151 P178 I179L139-A143 HydrophobicContact CD1-CB 4.09Å; L139-A143 HydrophobicContact CD2-CB 3.55Å; L139-A143 HydrophobicContact CG-CB 3.59Å; L139-Q147 HydrophobicContact CD1-CB 4.33Å; L139-V148 HydrophobicContact CD2-CB 4.23Å; L139-V148 HydrophobicContact CD2-CG2 3.7Å; L139-F151 HydrophobicContact CB-CD2 4.11Å; L139-F151 HydrophobicContact CB-CE2 4.31Å; L139-F151 HydrophobicContact CB-CG 4.31Å; L139-F151 HydrophobicContact CD1-CB 4.15Å; L139-F151 HydrophobicContact CD1-CD2 3.99Å; L139-F151 HydrophobicContact CD1-CG 4.29Å; L139-F151 HydrophobicContact CD2-CB 4.17Å; L139-F151 HydrophobicContact CD2-CG 4.45Å; L139-P178 HydrophobicContact CB-CB 4.49Å; L139-P178 WeakPolarHBondContact O-CB 3.37Å; L139-P178 WeakPolarHBondContact O-CG 3.25Å; L139-I179 PolarHBondContact N-O 3.48Å
140V85.1Confident87.7Confident54 Ų5468.2 Ų68.233%0.32736%0.361SS..  trans-65.3147.6172.9-62.70000110.6D142 A143V140-D142 VanDerWaalsContact C-N 3.35Å; V140-D142 PolarHBondContact O-N 2.84Å; V140-A143 HydrophobicContact CG2-CB 3.75Å; V140-A143 VanDerWaalsContact O-CB 3.3Å; V140-A143 WeakPolarHBondContact O-CB 2.89Å; V140-A143 PolarHBondContact O-N 3.18Å
141E81Confident87.5Confident148 Ų14866.9 Ų66.969%0.69235%0.345SS*.THydrogen-bonded Turntrans-63.2-40-174.9-71.8-178.3-177.600112.4A143 P178E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 3.41Å; E141-P178 HydrophobicContact CG-CB 4.42Å; E141-P178 HydrophobicContact CG-CG 4.17Å
142D81.2Confident87.1Confident155 Ų15562.1 Ų62.183%0.82933%0.325SS*.THydrogen-bonded Turntrans-95.736.8178.7-55-47.3000112.5V140 K144V140-D142 VanDerWaalsContact C-N 3.35Å; V140-D142 PolarHBondContact O-N 2.84Å; D142-K144 PolarHBondContact O-N 2.9Å
143A80.6Confident86.7Confident21 Ų2164.2 Ų64.217%0.17433%0.33CS..  trans-64131.9-179.700000111.7L139 V140 E141 Q147 V148L139-A143 HydrophobicContact CD1-CB 4.09Å; L139-A143 HydrophobicContact CD2-CB 3.55Å; L139-A143 HydrophobicContact CG-CB 3.59Å; V140-A143 HydrophobicContact CG2-CB 3.75Å; V140-A143 VanDerWaalsContact O-CB 3.3Å; V140-A143 WeakPolarHBondContact O-CB 2.89Å; V140-A143 PolarHBondContact O-N 3.18Å; E141-A143 VanDerWaalsContact C-N 3.3Å; E141-A143 PolarHBondContact O-N 3.41Å; A143-Q147 HydrophobicContact CB-CB 4.09Å; A143-V148 HydrophobicContact CB-CG2 3.99Å
144K83.8Confident86.4Confident145 Ų14559.1 Ų59.163%0.6331%0.306SS*.  trans-62.5154.8171.9-63.8-177.8179.4-1750110.6D142 E146 Q147 V148D142-K144 PolarHBondContact O-N 2.9Å; K144-E146 PolarHBondContact O-N 2.89Å; K144-E146 VanDerWaalsContact O-N 3.11Å; K144-Q147 HydrophobicContact CB-CG 4.39Å; K144-Q147 WeakPolarHBondContact O-CA 3.38Å; K144-Q147 WeakPolarHBondContact O-CB 3.48Å; K144-Q147 PolarHBondContact O-N 3.16Å; K144-V148 PolarHBondContact O-N 3.15Å; K144-V148 VanDerWaalsContact O-N 3.08Å
145P80.1Confident86Confident103 Ų10359.2 Ų59.267%0.66931%0.307SS*.Hα-helixtrans-50.4-38.9177.6-29.335.8000114Q147 V148 A149P145-Q147 PolarHBondContact O-N 3.47Å; P145-V148 PolarHBondContact O-N 3.14Å; P145-A149 WeakPolarHBondContact O-CB 3.34Å; P145-A149 PolarHBondContact O-N 3.44Å
146E81.6Confident85.6Confident158 Ų15861.7 Ų61.774%0.73831%0.314SS*.Hα-helixtrans-63.6-37.8176.5-65.3171.6-163.900113.2K144 S150K144-E146 PolarHBondContact O-N 2.89Å; K144-E146 VanDerWaalsContact O-N 3.11Å; E146-S150 WeakPolarHBondContact O-CB 3.49Å; E146-S150 PolarHBondContact O-N 3.4Å
147Q83.2Confident85.4Confident71 Ų7162.2 Ų62.233%0.33232%0.316SS..Hα-helixtrans-70.8-40.2177.6-64.4175.7-70.300110.8L139 A143 K144 P145 S150 F151L139-Q147 HydrophobicContact CD1-CB 4.33Å; A143-Q147 HydrophobicContact CB-CB 4.09Å; K144-Q147 HydrophobicContact CB-CG 4.39Å; K144-Q147 WeakPolarHBondContact O-CA 3.38Å; K144-Q147 WeakPolarHBondContact O-CB 3.48Å; K144-Q147 PolarHBondContact O-N 3.16Å; P145-Q147 PolarHBondContact O-N 3.47Å; Q147-S150 PolarHBondContact O-N 3.34Å; Q147-F151 WeakPolarHBondContact O-CB 3.35Å; Q147-F151 PolarHBondContact O-N 3.18Å
148V82.5Confident85.4Confident41 Ų4160.5 Ų60.525%0.24831%0.309CS..Hα-helixtrans-60.6-50.5172.9177.10000110.3L139 A143 K144 P145 S150 F151 E152 I179L139-V148 HydrophobicContact CD2-CB 4.23Å; L139-V148 HydrophobicContact CD2-CG2 3.7Å; A143-V148 HydrophobicContact CB-CG2 3.99Å; K144-V148 PolarHBondContact O-N 3.15Å; K144-V148 VanDerWaalsContact O-N 3.08Å; P145-V148 PolarHBondContact O-N 3.14Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 3.09Å; V148-F151 WeakPolarHBondContact O-CB 3.23Å; V148-F151 PolarHBondContact O-N 2.92Å; V148-F151 VanDerWaalsContact O-N 3.11Å; V148-E152 HydrophobicContact CG1-CG 4.49Å; V148-E152 PolarHBondContact O-N 3.1Å; V148-I179 HydrophobicContact CG1-CD1 3.97Å
149A81.5Confident85.4Confident43 Ų4363 Ų6336%0.35532%0.318SS..Hα-helixtrans-60.1-39.2178.300000111.9P145 R153P145-A149 WeakPolarHBondContact O-CB 3.34Å; P145-A149 PolarHBondContact O-N 3.44Å; A149-R153 VanDerWaalsContact O-CB 3.32Å; A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 PolarHBondContact O-N 3.26Å
150S82.9Confident85.7Confident38 Ų3866.3 Ų66.327%0.26633%0.333SS..Hα-helixtrans-65.4-40.3175.1-1630000112.6E146 Q147 V148 R153 E154E146-S150 WeakPolarHBondContact O-CB 3.49Å; E146-S150 PolarHBondContact O-N 3.4Å; Q147-S150 PolarHBondContact O-N 3.34Å; V148-S150 VanDerWaalsContact C-N 3.28Å; V148-S150 PolarHBondContact O-N 3.09Å; S150-R153 PolarHBondContact O-N 3.47Å; S150-R153 PolarHBondContact OG-NH1 3.17Å; S150-E154 WeakPolarHBondContact O-CB 3.31Å; S150-E154 PolarHBondContact O-N 3.46Å
151F86.2Confident86.2Confident7 Ų763.8 Ų63.83%0.03132%0.318CS..Hα-helixtrans-67.8-42.1177.5-164.4-87.1000112.2K137 L139 Q147 V148 R153 E154 A155 I179 L181K137-F151 HydrophobicContact CD-CE2 4.19Å; K137-F151 HydrophobicContact CG-CE2 4.01Å; K137-F151 HydrophobicContact CG-CZ 4.48Å; K137-F151 WeakPolarHBondContact O-CZ 3.42Å; L139-F151 HydrophobicContact CB-CD2 4.11Å; L139-F151 HydrophobicContact CB-CE2 4.31Å; L139-F151 HydrophobicContact CB-CG 4.31Å; L139-F151 HydrophobicContact CD1-CB 4.15Å; L139-F151 HydrophobicContact CD1-CD2 3.99Å; L139-F151 HydrophobicContact CD1-CG 4.29Å; L139-F151 HydrophobicContact CD2-CB 4.17Å; L139-F151 HydrophobicContact CD2-CG 4.45Å; Q147-F151 WeakPolarHBondContact O-CB 3.35Å; Q147-F151 PolarHBondContact O-N 3.18Å; V148-F151 WeakPolarHBondContact O-CB 3.23Å; V148-F151 PolarHBondContact O-N 2.92Å; V148-F151 VanDerWaalsContact O-N 3.11Å; F151-R153 VanDerWaalsContact C-N 3.33Å; F151-E154 PolarHBondContact O-N 2.84Å; F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.08Å; F151-I179 HydrophobicContact CD1-CB 4.32Å; F151-I179 HydrophobicContact CD1-CG2 3.81Å; F151-I179 HydrophobicContact CE1-CB 4.35Å; F151-I179 HydrophobicContact CE1-CG2 3.71Å; F151-L181 HydrophobicContact CE1-CB 3.79Å; F151-L181 HydrophobicContact CE2-CB 4.5Å; F151-L181 HydrophobicContact CZ-CB 3.51Å
152E85.2Confident86.9Confident51 Ų5160.3 Ų60.324%0.23831%0.31CS..Hα-helixtrans-62.7-40.9174-72.2-170.1144.100111.4M1 V148 A155 R156 I179M1-E152 PolarHBondContact N-OE1 3.17Å; V148-E152 HydrophobicContact CG1-CG 4.49Å; V148-E152 PolarHBondContact O-N 3.1Å; E152-A155 PolarHBondContact O-N 2.78Å; E152-R156 WeakPolarHBondContact O-CB 3.23Å; E152-R156 PolarHBondContact O-N 3.09Å; E152-I179 HydrophobicContact CG-CD1 4.46Å
153R85.9Confident87.7Confident122 Ų12255.4 Ų55.446%0.4628%0.282SS..Hα-helixtrans-62.1-47.8175-170.1-169-52.5111.91.9111.7A149 S150 F151 A155 R156 I157A149-R153 VanDerWaalsContact O-CB 3.32Å; A149-R153 WeakPolarHBondContact O-CB 3.36Å; A149-R153 PolarHBondContact O-N 3.26Å; S150-R153 PolarHBondContact O-N 3.47Å; S150-R153 PolarHBondContact OG-NH1 3.17Å; F151-R153 VanDerWaalsContact C-N 3.33Å; R153-A155 VanDerWaalsContact C-N 3.3Å; R153-A155 PolarHBondContact O-N 2.85Å; R153-R156 PolarHBondContact O-N 3.16Å; R153-I157 HydrophobicContact CG-CD1 4.25Å; R153-I157 WeakPolarHBondContact O-CG1 3.2Å; R153-I157 PolarHBondContact O-N 2.97Å
154E89.7Confident88.4Confident14 Ų1458.2 Ų58.27%0.06529%0.291CS..Hα-helixtrans-53.4-50.7175.8179.6-178.8163.600110.2K137 S150 F151 R156 I157 H158 L181 L247K137-E154 IonicContact NZ-OE1 3.12Å; K137-E154 PolarHBondContact NZ-OE1 3.4Å; K137-E154 IonicContact NZ-OE2 3.99Å; K137-E154 PolarHBondContact NZ-OE2 3.03Å; S150-E154 WeakPolarHBondContact O-CB 3.31Å; S150-E154 PolarHBondContact O-N 3.46Å; F151-E154 PolarHBondContact O-N 2.84Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 2.86Å; E154-I157 PolarHBondContact O-N 3.07Å; E154-H158 WeakPolarHBondContact O-CB 3.28Å; E154-H158 PolarHBondContact O-N 3.36Å; E154-L181 HydrophobicContact CG-CD2 4.4Å; E154-L247 HydrophobicContact CG-CB 4.26Å
155A90Very high89.1Confident2 Ų251.3 Ų51.32%0.01726%0.261CS..Hα-helixtrans-64.9-36.9-178.700000112.6F151 E152 R153 H158 R159 I172 L181F151-A155 WeakPolarHBondContact O-CB 3.47Å; F151-A155 PolarHBondContact O-N 3.08Å; E152-A155 PolarHBondContact O-N 2.78Å; R153-A155 VanDerWaalsContact C-N 3.3Å; R153-A155 PolarHBondContact O-N 2.85Å; A155-H158 PolarHBondContact O-N 3.44Å; A155-R159 WeakPolarHBondContact O-CB 3.39Å; A155-R159 PolarHBondContact O-N 2.97Å; A155-I172 HydrophobicContact CB-CD1 3.45Å; A155-I172 VanDerWaalsContact CB-CD1 3.45Å; A155-I172 HydrophobicContact CB-CG1 4.03Å; A155-L181 HydrophobicContact CB-CD1 4.01Å
156R88.5Confident89.9Confident63 Ų6346.6 Ų46.624%0.23823%0.23CC..Hα-helixtrans-64.5-42.4175.6-169-174.1-54.9-154.88.8112.3S2 D5 E152 R153 E154 Q160S2-R156 PolarHBondContact OG-NH2 3.47Å; D5-R156 VanDerWaalsContact CG-CZ 3.45Å; D5-R156 IonicContact OD1-CZ 3.57Å; D5-R156 IonicContact OD1-NE 3.92Å; D5-R156 PolarHBondContact OD1-NE 2.77Å; D5-R156 IonicContact OD1-NH1 2.68Å; D5-R156 PolarHBondContact OD1-NH1 2.86Å; D5-R156 IonicContact OD1-NH2 2.7Å; D5-R156 PolarHBondContact OD1-NH2 3.13Å; D5-R156 IonicContact OD2-CZ 2.88Å; D5-R156 IonicContact OD2-NH2 2.74Å; D5-R156 PolarHBondContact OD2-NH2 2.88Å; E152-R156 WeakPolarHBondContact O-CB 3.23Å; E152-R156 PolarHBondContact O-N 3.09Å; R153-R156 PolarHBondContact O-N 3.16Å; E154-R156 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 2.86Å; R156-Q160 PolarHBondContact O-NE2 3.01Å
157I91Very high90.7Very high11 Ų1139 Ų396%0.05620%0.195CC..Hα-helixtrans-65-50.8175.4-67.7176.5000109R153 E154 R159 Q160 L161 F225 L247 A250R153-I157 HydrophobicContact CG-CD1 4.25Å; R153-I157 WeakPolarHBondContact O-CG1 3.2Å; R153-I157 PolarHBondContact O-N 2.97Å; E154-I157 PolarHBondContact O-N 3.07Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 3.43Å; I157-Q160 WeakPolarHBondContact O-CB 3.46Å; I157-Q160 PolarHBondContact O-N 3.24Å; I157-L161 HydrophobicContact CG2-CD1 4.21Å; I157-F225 HydrophobicContact CB-CE1 4.19Å; I157-F225 HydrophobicContact CD1-CE1 4.37Å; I157-F225 HydrophobicContact CG1-CD1 4.5Å; I157-F225 HydrophobicContact CG1-CE1 3.9Å; I157-F225 HydrophobicContact CG2-CD1 3.74Å; I157-F225 HydrophobicContact CG2-CE1 3.58Å; I157-F225 HydrophobicContact CG2-CG 4.44Å; I157-F225 HydrophobicContact CG2-CZ 4.14Å; I157-L247 HydrophobicContact CG2-CD1 4.31Å; I157-A250 HydrophobicContact CD1-CB 4.13Å; I157-A250 VanDerWaalsContact CD1-O 3.26Å; I157-A250 WeakPolarHBondContact CD1-O 3.11Å; I157-A250 HydrophobicContact CG2-CB 4.29Å
158H94.5Very high91.4Very high4 Ų438.7 Ų38.72%0.01919%0.193CC..Hα-helixtrans-59.7-39.2-175.2-158.5172.2000112.8E154 A155 Q160 L161 V167 F169 L247E154-H158 WeakPolarHBondContact O-CB 3.28Å; E154-H158 PolarHBondContact O-N 3.36Å; A155-H158 PolarHBondContact O-N 3.44Å; H158-Q160 PolarHBondContact O-N 3.01Å; H158-Q160 VanDerWaalsContact O-N 3.15Å; H158-L161 PolarHBondContact O-N 3.42Å; H158-L161 VanDerWaalsContact O-N 3.08Å; H158-V167 PolarHBondContact NE2-O 2.83Å; H158-F169 HydrophobicContact CB-CD2 4.28Å; H158-L247 HydrophobicContact CB-CD1 3.81Å
159R92.3Very high92Very high61 Ų6137.5 Ų37.523%0.2319%0.185CC..Hα-helixtrans-57.6-26.8176.2-172.6-177.575.1-172.53.6113.7D8 A155 I157 L161 F169D8-R159 IonicContact OD2-NH2 3.6Å; D8-R159 PolarHBondContact OD2-NH2 3.35Å; D8-R159 VanDerWaalsContact OD2-NH2 3.16Å; A155-R159 WeakPolarHBondContact O-CB 3.39Å; A155-R159 PolarHBondContact O-N 2.97Å; I157-R159 VanDerWaalsContact C-N 3.3Å; I157-R159 PolarHBondContact O-N 3.43Å; R159-L161 VanDerWaalsContact C-N 3.31Å; R159-F169 HydrophobicContact CB-CD1 4.19Å; R159-F169 HydrophobicContact CB-CD2 4.41Å; R159-F169 HydrophobicContact CB-CE1 4.07Å; R159-F169 HydrophobicContact CB-CE2 4.3Å; R159-F169 HydrophobicContact CB-CG 4.36Å; R159-F169 HydrophobicContact CB-CZ 4.13Å; R159-F169 HydrophobicContact CG-CD1 4.14Å; R159-F169 HydrophobicContact CG-CE1 3.77Å; R159-F169 HydrophobicContact CG-CZ 4.13Å
160Q92.2Very high92.7Very high80 Ų8036.5 Ų36.537%0.37417%0.173SC..THydrogen-bonded Turntrans-86.3-4.2-178.1-66.1170.267.900113.2R156 I157 H158R156-Q160 PolarHBondContact O-NE2 3.01Å; I157-Q160 WeakPolarHBondContact O-CB 3.46Å; I157-Q160 PolarHBondContact O-N 3.24Å; H158-Q160 PolarHBondContact O-N 3.01Å; H158-Q160 VanDerWaalsContact O-N 3.15Å
161L95.4Very high93.3Very high2 Ų234.7 Ų34.71%0.0116%0.16CC..  trans-109.6128.5-172.7-56.3174.7000110.2I157 H158 R159 I166 Y219 L220 K223 F225 L247I157-L161 HydrophobicContact CG2-CD1 4.21Å; H158-L161 PolarHBondContact O-N 3.42Å; H158-L161 VanDerWaalsContact O-N 3.08Å; R159-L161 VanDerWaalsContact C-N 3.31Å; L161-I166 HydrophobicContact CB-CG2 4.31Å; L161-I166 HydrophobicContact CD1-CG2 4.48Å; L161-Y219 HydrophobicContact CB-CE1 4.19Å; L161-Y219 HydrophobicContact CD2-CE1 3.85Å; L161-L220 HydrophobicContact CD1-CD2 3.58Å; L161-L220 HydrophobicContact CD2-CD2 3.87Å; L161-L220 HydrophobicContact CG-CD2 4.33Å; L161-K223 HydrophobicContact CD2-CB 4.3Å; L161-K223 HydrophobicContact CD2-CG 4.35Å; L161-F225 HydrophobicContact CD2-CD2 3.74Å; L161-F225 HydrophobicContact CD2-CE2 3.77Å; L161-L247 HydrophobicContact CD1-CD1 3.5Å; L161-L247 VanDerWaalsContact CD1-CD1 3.5Å; L161-L247 HydrophobicContact CD1-CD2 4.26Å
162S96.1Very high93.6Very high75 Ų7535.3 Ų35.352%0.52416%0.164SC..  trans-145107.7171.7-172.60000109Q168 Y219S162-Q168 PolarHBondContact OG-OE1 2.88Å; S162-Q168 VanDerWaalsContact OG-OE1 3.06Å; S162-Y219 PolarHBondContact N-OH 2.94Å; S162-Y219 PolarHBondContact O-OH 2.99Å; S162-Y219 VanDerWaalsContact O-OH 3.07Å
163H97.5Very high93.9Very high52 Ų5232.9 Ų32.924%0.24115%0.153CC..  trans-158.3147.1-178.8-176.5-102.1000109.6N165 I166 Y219H163-N165 PolarHBondContact CE1-OD1 2.68Å; H163-N165 PolarHBondContact ND1-N 3.2Å; H163-N165 VanDerWaalsContact ND1-N 3.17Å; H163-N165 PolarHBondContact O-N 2.8Å; H163-N165 VanDerWaalsContact O-N 3.08Å; H163-I166 HydrophobicContact CB-CB 4.35Å; H163-I166 HydrophobicContact CB-CG1 3.94Å; H163-I166 PolarHBondContact O-N 2.79Å; H163-Y219 HydrophobicContact CB-CD1 3.61Å; H163-Y219 HydrophobicContact CB-CD2 4.03Å; H163-Y219 HydrophobicContact CB-CE1 3.77Å; H163-Y219 HydrophobicContact CB-CE2 4.15Å; H163-Y219 HydrophobicContact CB-CG 3.74Å; H163-Y219 AromaticContact CD2-CD2 3.89Å; H163-Y219 AromaticContact CD2-CG 3.94Å; H163-Y219 AromaticContact CG-CG 3.78Å
164Q96.8Very high93.8Very high79 Ų7930 Ų3037%0.36915%0.146SC..THydrogen-bonded Turntrans-62-22.1-175.168.4178.510.800114.7R243Q164-R243 WeakPolarHBondContact O-CG 3.34Å
165N97.8Very high93.4Very high0 Ų033.2 Ų33.20%016%0.164CC..THydrogen-bonded Turntrans-107.316.7178.9-54.6108.1000113.2H163 E212 E215 V242 R243 I244H163-N165 PolarHBondContact CE1-OD1 2.68Å; H163-N165 PolarHBondContact ND1-N 3.2Å; H163-N165 VanDerWaalsContact ND1-N 3.17Å; H163-N165 PolarHBondContact O-N 2.8Å; H163-N165 VanDerWaalsContact O-N 3.08Å; N165-E212 VanDerWaalsContact CB-O 3.25Å; N165-E212 WeakPolarHBondContact CB-O 3.47Å; N165-E212 WeakPolarHBondContact ND2-CB 3.47Å; N165-E215 PolarHBondContact OD1-OE2 3.3Å; N165-V242 WeakPolarHBondContact CA-O 3.26Å; N165-V242 PolarHBondContact ND2-O 2.85Å; N165-R243 CarbonylContact O-C 3.6Å; N165-R243 WeakPolarHBondContact O-CA 3.3Å; N165-I244 PolarHBondContact O-N 2.81Å
166I97.9Very high92.9Very high4 Ų439.2 Ų39.22%0.02119%0.189CC..BIsolated β-bridgetrans-120139.5167.8-55.8-61.8000106.7L161 H163 Q168 Y219 L220 I244L161-I166 HydrophobicContact CB-CG2 4.31Å; L161-I166 HydrophobicContact CD1-CG2 4.48Å; H163-I166 HydrophobicContact CB-CB 4.35Å; H163-I166 HydrophobicContact CB-CG1 3.94Å; H163-I166 PolarHBondContact O-N 2.79Å; I166-Q168 PolarHBondContact O-N 3.36Å; I166-Y219 HydrophobicContact CG1-CD1 4.12Å; I166-L220 HydrophobicContact CD1-CD1 4.21Å; I166-L220 HydrophobicContact CD1-CD2 3.99Å; I166-L220 HydrophobicContact CD1-CG 3.98Å; I166-L220 HydrophobicContact CG1-CD2 4.49Å; I166-I244 HydrophobicContact CD1-CB 3.88Å; I166-I244 HydrophobicContact CD1-CD1 3.95Å; I166-I244 HydrophobicContact CD1-CG1 4.46Å
167V97.7Very high92.5Very high0 Ų040.7 Ų40.70%021%0.209CC..PPolyproline II helixtrans-57128174.4166.50000108.8H158 F169 T183 E184 L236 R243 I244H158-V167 PolarHBondContact NE2-O 2.83Å; V167-F169 PolarHBondContact O-N 3.19Å; V167-T183 HydrophobicContact CG1-CG2 4.14Å; V167-E184 HydrophobicContact CG1-CG 4.06Å; V167-L236 HydrophobicContact CG2-CD1 3.93Å; V167-L236 HydrophobicContact CG2-CG 4.45Å; V167-R243 HydrophobicContact CG2-CB 3.79Å; V167-I244 PolarHBondContact N-O 2.89Å
168Q97Very high92.2Very high64 Ų6440.5 Ų40.530%0.29921%0.209SC..PPolyproline II helixtrans-72.1121.3-178.4-174.45561.500111.2S162 I166 T183 E184S162-Q168 PolarHBondContact OG-OE1 2.88Å; S162-Q168 VanDerWaalsContact OG-OE1 3.06Å; I166-Q168 PolarHBondContact O-N 3.36Å; Q168-T183 WeakPolarHBondContact O-CA 3.49Å; Q168-T183 WeakPolarHBondContact O-CB 3.3Å; Q168-E184 HydrophobicContact CB-CB 4.23Å; Q168-E184 HydrophobicContact CB-CG 3.98Å; Q168-E184 WeakPolarHBondContact CB-OE1 3.35Å; Q168-E184 PolarHBondContact N-OE1 3.43Å; Q168-E184 PolarHBondContact O-N 2.84Å
169F96.8Very high91.9Very high16 Ų1641.7 Ų41.77%0.0722%0.215CC..EExtended strand (participates in β ladder)trans-63.2137.8165.6172-89.6000110.1W97 H158 R159 V167 I172 L181W97-F169 HydrophobicContact CB-CE1 3.75Å; W97-F169 HydrophobicContact CB-CZ 4.2Å; W97-F169 HydrophobicContact CE3-CZ 4.32Å; W97-F169 HydrophobicContact CG-CE1 4.15Å; W97-F169 HydrophobicContact CG-CZ 4.47Å; H158-F169 HydrophobicContact CB-CD2 4.28Å; R159-F169 HydrophobicContact CB-CD1 4.19Å; R159-F169 HydrophobicContact CB-CD2 4.41Å; R159-F169 HydrophobicContact CB-CE1 4.07Å; R159-F169 HydrophobicContact CB-CE2 4.3Å; R159-F169 HydrophobicContact CB-CG 4.36Å; R159-F169 HydrophobicContact CB-CZ 4.13Å; R159-F169 HydrophobicContact CG-CD1 4.14Å; R159-F169 HydrophobicContact CG-CE1 3.77Å; R159-F169 HydrophobicContact CG-CZ 4.13Å; V167-F169 PolarHBondContact O-N 3.19Å; F169-I172 HydrophobicContact CE2-CD1 4.21Å; F169-I172 HydrophobicContact CE2-CG1 3.75Å; F169-I172 HydrophobicContact CZ-CD1 4.27Å; F169-I172 HydrophobicContact CZ-CG1 3.88Å; F169-L181 HydrophobicContact CD2-CD1 3.64Å; F169-L181 HydrophobicContact CE2-CD1 3.55Å
170I96.2Very high91.9Very high21 Ų2139.9 Ų39.911%0.10821%0.208CC..EExtended strand (participates in β ladder)trans-117.2-56.1176.1-64.3179.4000110.3L123 L129 V134 V182 T183 E184L123-I170 HydrophobicContact CD1-CG2 4.07Å; L129-I170 HydrophobicContact CD1-CG2 3.89Å; V134-I170 HydrophobicContact CG1-CD1 3.7Å; I170-V182 WeakPolarHBondContact CA-O 3.46Å; I170-V182 HydrophobicContact CB-CG1 4.36Å; I170-V182 WeakPolarHBondContact CB-O 3.34Å; I170-V182 HydrophobicContact CG2-CG1 4.41Å; I170-V182 PolarHBondContact N-O 2.87Å; I170-T183 VanDerWaalsContact CD1-C 3.49Å; I170-E184 HydrophobicContact CD1-CB 4.29Å
171A95.1Very high92.1Very high0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-159.7169-170.400000114.3W97 L99 V182W97-A171 CarbonylContact O-C 3.6Å; W97-A171 WeakPolarHBondContact O-CA 3.39Å; W97-A171 WeakPolarHBondContact O-CB 3.34Å; L99-A171 HydrophobicContact CB-CB 4.4Å; L99-A171 HydrophobicContact CD1-CB 3.47Å; L99-A171 VanDerWaalsContact CD1-CB 3.47Å; L99-A171 HydrophobicContact CG-CB 3.57Å; A171-V182 HydrophobicContact CB-CB 4.05Å; A171-V182 HydrophobicContact CB-CG2 4.41Å; A171-V182 PolarHBondContact N-O 3.12Å; A171-V182 WeakPolarHBondContact O-CA 3.37Å; A171-V182 WeakPolarHBondContact O-CB 3.49Å; A171-V182 PolarHBondContact O-N 2.93Å
172I93Very high92.1Very high21 Ų2136.1 Ų36.111%0.10819%0.191CC..EExtended strand (participates in β ladder)trans-124.4141.5167.1-62.4171.9000108.5W97 M98 L99 A155 F169 I174 I179 R180 L181W97-I172 HydrophobicContact CE3-CB 4.32Å; W97-I172 HydrophobicContact CE3-CD1 4.19Å; W97-I172 HydrophobicContact CE3-CG1 4.38Å; W97-I172 HydrophobicContact CZ3-CB 4.36Å; W97-I172 HydrophobicContact CZ3-CD1 3.9Å; W97-I172 HydrophobicContact CZ3-CG1 4.47Å; W97-I172 PolarHBondContact O-N 3.24Å; M98-I172 CarbonylContact C-O 3.59Å; M98-I172 WeakPolarHBondContact CA-O 3.45Å; L99-I172 PolarHBondContact N-O 3.18Å; A155-I172 HydrophobicContact CB-CD1 3.45Å; A155-I172 VanDerWaalsContact CB-CD1 3.45Å; A155-I172 HydrophobicContact CB-CG1 4.03Å; F169-I172 HydrophobicContact CE2-CD1 4.21Å; F169-I172 HydrophobicContact CE2-CG1 3.75Å; F169-I172 HydrophobicContact CZ-CD1 4.27Å; F169-I172 HydrophobicContact CZ-CG1 3.88Å; I172-I174 HydrophobicContact CG2-CG2 3.4Å; I172-I174 VanDerWaalsContact CG2-CG2 3.4Å; I172-I179 HydrophobicContact CG2-CG2 4.28Å; I172-R180 WeakPolarHBondContact CA-O 3.29Å; I172-L181 HydrophobicContact CG1-CD1 4.31Å
173V91.6Very high92.1Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-119.2117170.8179.20000108.8L99 N101 I104 D175 R180 V182L99-V173 HydrophobicContact CB-CG2 3.89Å; N101-V173 HydrophobicContact CB-CG1 4.05Å; I104-V173 HydrophobicContact CD1-CB 4.33Å; I104-V173 HydrophobicContact CD1-CG2 3.71Å; I104-V173 HydrophobicContact CG1-CG2 4.23Å; I104-V173 HydrophobicContact CG2-CG2 4.49Å; V173-D175 WeakPolarHBondContact CG1-OD1 3.4Å; V173-R180 HydrophobicContact CB-CB 4.17Å; V173-R180 PolarHBondContact N-O 3.45Å; V173-R180 PolarHBondContact O-N 2.99Å; V173-V182 HydrophobicContact CG2-CG2 4.34Å
174I83.6Confident92.1Very high62 Ų6231.9 Ų31.932%0.31816%0.164SC..  trans-127.8-3.4-173.656.6164.5000114M98 I172 K176 I179M98-I174 HydrophobicContact CE-CD1 3.72Å; M98-I174 HydrophobicContact CG-CD1 4.35Å; M98-I174 HydrophobicContact CG-CG1 4.17Å; M98-I174 HydrophobicContact SD-CD1 3.74Å; M98-I174 HydrophobicContact SD-CG1 4.12Å; I172-I174 HydrophobicContact CG2-CG2 3.4Å; I172-I174 VanDerWaalsContact CG2-CG2 3.4Å; I174-K176 VanDerWaalsContact C-N 3.26Å; I174-K176 PolarHBondContact O-N 2.91Å; I174-I179 HydrophobicContact CG2-CB 4.49Å; I174-I179 HydrophobicContact CG2-CD1 4.49Å; I174-I179 HydrophobicContact CG2-CG1 4.21Å; I174-I179 HydrophobicContact CG2-CG2 3.68Å
175D80.8Confident92.1Very high81 Ų8129.5 Ų29.543%0.43315%0.153SC..SBendtrans-72-19.6-177.262.2-22.3000113.3S100 N101 V173S100-D175 VanDerWaalsContact CA-OD2 3.3Å; S100-D175 WeakPolarHBondContact CA-OD2 3.49Å; N101-D175 WeakPolarHBondContact CB-OD1 3.45Å; N101-D175 VanDerWaalsContact N-CG 3.32Å; N101-D175 PolarHBondContact N-OD1 3.34Å; N101-D175 VanDerWaalsContact N-OD1 3.12Å; N101-D175 PolarHBondContact N-OD2 3.22Å; V173-D175 WeakPolarHBondContact CG1-OD1 3.4Å
176K78.8Confident92Very high128 Ų12830.4 Ų30.456%0.55716%0.16SC*.SBendtrans-135.3137.2170.2-65.6-169.7178.2-174.70111.3N101 I174 P178 R180N101-K176 HydrophobicContact CB-CB 4.49Å; N101-K176 HydrophobicContact CB-CD 4.28Å; N101-K176 HydrophobicContact CB-CG 4.35Å; I174-K176 VanDerWaalsContact C-N 3.26Å; I174-K176 PolarHBondContact O-N 2.91Å; K176-P178 CarbonylContact O-C 3.49Å; K176-P178 VanDerWaalsContact O-O 3.06Å; K176-R180 PolarHBondContact O-NH1 3.06Å
177S79.4Confident91.8Very high93 Ų9333.1 Ų33.165%0.6517%0.174SC*.SBendtrans-60.1146.5167-166.20000110.8
178P86.2Confident91.6Very high8 Ų836.4 Ų36.45%0.05219%0.187CC..SBendcis-74.7156.9-12.232.1-35000112.1L138 L139 E141 K176 R180L138-P178 HydrophobicContact CB-CG 4.24Å; L138-P178 HydrophobicContact CD2-CG 4.01Å; L139-P178 HydrophobicContact CB-CB 4.49Å; L139-P178 WeakPolarHBondContact O-CB 3.37Å; L139-P178 WeakPolarHBondContact O-CG 3.25Å; E141-P178 HydrophobicContact CG-CB 4.42Å; E141-P178 HydrophobicContact CG-CG 4.17Å; K176-P178 CarbonylContact O-C 3.49Å; K176-P178 VanDerWaalsContact O-O 3.06Å; P178-R180 WeakPolarHBondContact O-CG 3.42Å; P178-R180 VanDerWaalsContact O-CZ 3.29Å; P178-R180 PolarHBondContact O-NH1 3.24Å
179I87.8Confident91.5Very high29 Ų2935.5 Ų35.515%0.14918%0.184CC..PPolyproline II helixtrans-60.1141.2172.9-59174.7000109.6L139 V148 F151 E152 I172 I174L139-I179 PolarHBondContact N-O 3.48Å; V148-I179 HydrophobicContact CG1-CD1 3.97Å; F151-I179 HydrophobicContact CD1-CB 4.32Å; F151-I179 HydrophobicContact CD1-CG2 3.81Å; F151-I179 HydrophobicContact CE1-CB 4.35Å; F151-I179 HydrophobicContact CE1-CG2 3.71Å; E152-I179 HydrophobicContact CG-CD1 4.46Å; I172-I179 HydrophobicContact CG2-CG2 4.28Å; I174-I179 HydrophobicContact CG2-CB 4.49Å; I174-I179 HydrophobicContact CG2-CD1 4.49Å; I174-I179 HydrophobicContact CG2-CG1 4.21Å; I174-I179 HydrophobicContact CG2-CG2 3.68Å
180R93.1Very high91.5Very high22 Ų2234.7 Ų34.78%0.08318%0.181CC..EExtended strand (participates in β ladder)trans-125.6132.3-178.1-45.2172.9178.367.95.3111.3N101 I136 K137 L138 I172 V173 K176 P178N101-R180 PolarHBondContact OD1-NH1 2.82Å; I136-R180 HydrophobicContact CG2-CB 3.93Å; I136-R180 HydrophobicContact CG2-CG 4.34Å; K137-R180 CarbonylContact O-C 3.59Å; K137-R180 VanDerWaalsContact O-CA 3.31Å; K137-R180 WeakPolarHBondContact O-CA 3.46Å; L138-R180 HydrophobicContact CD2-CG 4.3Å; L138-R180 HydrophobicContact CG-CG 4.09Å; I172-R180 WeakPolarHBondContact CA-O 3.29Å; V173-R180 HydrophobicContact CB-CB 4.17Å; V173-R180 PolarHBondContact N-O 3.45Å; V173-R180 PolarHBondContact O-N 2.99Å; K176-R180 PolarHBondContact O-NH1 3.06Å; P178-R180 WeakPolarHBondContact O-CG 3.42Å; P178-R180 VanDerWaalsContact O-CZ 3.29Å; P178-R180 PolarHBondContact O-NH1 3.24Å
181L94.5Very high91.5Very high4 Ų435.1 Ų35.12%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-100.5123.5169.5175.161.6000108.2I136 K137 F151 E154 A155 F169 I172 T183I136-L181 WeakPolarHBondContact CA-O 3.49Å; K137-L181 HydrophobicContact CB-CB 4.38Å; K137-L181 PolarHBondContact N-O 3.1Å; K137-L181 PolarHBondContact O-N 2.77Å; F151-L181 HydrophobicContact CE1-CB 3.79Å; F151-L181 HydrophobicContact CE2-CB 4.5Å; F151-L181 HydrophobicContact CZ-CB 3.51Å; E154-L181 HydrophobicContact CG-CD2 4.4Å; A155-L181 HydrophobicContact CB-CD1 4.01Å; F169-L181 HydrophobicContact CD2-CD1 3.64Å; F169-L181 HydrophobicContact CE2-CD1 3.55Å; I172-L181 HydrophobicContact CG1-CD1 4.31Å; L181-T183 HydrophobicContact CG-CG2 4.17Å
182V96.1Very high91.5Very high0 Ų040.5 Ų40.50%021%0.209CC..EExtended strand (participates in β ladder)trans-109.6122.9-177.3-172.10000108.9I104 L123 V134 A135 I170 A171 V173I104-V182 HydrophobicContact CD1-CG2 4.37Å; I104-V182 HydrophobicContact CG2-CG2 4.48Å; L123-V182 HydrophobicContact CD2-CG1 4.18Å; V134-V182 HydrophobicContact CB-CG1 3.62Å; V134-V182 HydrophobicContact CG1-CG1 3.84Å; V134-V182 HydrophobicContact CG2-CG1 3.8Å; A135-V182 WeakPolarHBondContact O-CA 3.45Å; I170-V182 WeakPolarHBondContact CA-O 3.46Å; I170-V182 HydrophobicContact CB-CG1 4.36Å; I170-V182 WeakPolarHBondContact CB-O 3.34Å; I170-V182 HydrophobicContact CG2-CG1 4.41Å; I170-V182 PolarHBondContact N-O 2.87Å; A171-V182 HydrophobicContact CB-CB 4.05Å; A171-V182 HydrophobicContact CB-CG2 4.41Å; A171-V182 PolarHBondContact N-O 3.12Å; A171-V182 WeakPolarHBondContact O-CA 3.37Å; A171-V182 WeakPolarHBondContact O-CB 3.49Å; A171-V182 PolarHBondContact O-N 2.93Å; V173-V182 HydrophobicContact CG2-CG2 4.34Å
183T97.1Very high91.5Very high17 Ų1739.8 Ų39.810%0.10421%0.205CC..EExtended strand (participates in β ladder)trans-127.7171.7179.3690000110.4V134 A135 V167 Q168 I170 L181 L185V134-T183 WeakPolarHBondContact CA-O 3.47Å; V134-T183 WeakPolarHBondContact CB-O 3.45Å; A135-T183 PolarHBondContact N-O 3.35Å; A135-T183 PolarHBondContact O-N 3.16Å; V167-T183 HydrophobicContact CG1-CG2 4.14Å; Q168-T183 WeakPolarHBondContact O-CA 3.49Å; Q168-T183 WeakPolarHBondContact O-CB 3.3Å; I170-T183 VanDerWaalsContact CD1-C 3.49Å; L181-T183 HydrophobicContact CG-CG2 4.17Å; T183-L185 PolarHBondContact O-N 3.01Å
184E96.3Very high91.8Very high21 Ų2139.8 Ų39.810%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-58.3139.3169.473.1173.6144.700111.4V167 Q168 I170 K238 R243V167-E184 HydrophobicContact CG1-CG 4.06Å; Q168-E184 HydrophobicContact CB-CB 4.23Å; Q168-E184 HydrophobicContact CB-CG 3.98Å; Q168-E184 WeakPolarHBondContact CB-OE1 3.35Å; Q168-E184 PolarHBondContact N-OE1 3.43Å; Q168-E184 PolarHBondContact O-N 2.84Å; I170-E184 HydrophobicContact CD1-CB 4.29Å; E184-K238 WeakPolarHBondContact OE2-CD 3.42Å; E184-K238 WeakPolarHBondContact OE2-CE 3.42Å; E184-K238 IonicContact OE2-NZ 3.03Å; E184-K238 PolarHBondContact OE2-NZ 3.38Å; E184-R243 WeakPolarHBondContact OE1-CD 3.36Å; E184-R243 IonicContact OE1-CZ 3.51Å; E184-R243 IonicContact OE1-NE 3.99Å; E184-R243 PolarHBondContact OE1-NE 2.73Å; E184-R243 IonicContact OE2-NE 3.46Å; E184-R243 IonicContact OE2-NH2 2.73Å
185L97.1Very high92.3Very high28 Ų2842.7 Ų42.715%0.14722%0.216CC..  trans-73.6131.6169.5-171.161.3000108.9I110 A120 Q133 A135 T183 K238I110-L185 HydrophobicContact CD1-CD1 3.8Å; A120-L185 HydrophobicContact CB-CD1 3.99Å; A120-L185 HydrophobicContact CB-CD2 4.14Å; Q133-L185 HydrophobicContact CB-CB 4.3Å; Q133-L185 HydrophobicContact CB-CD2 3.91Å; A135-L185 HydrophobicContact CB-CD1 4.05Å; T183-L185 PolarHBondContact O-N 3.01Å; L185-K238 VanDerWaalsContact O-CD 3.31Å; L185-K238 WeakPolarHBondContact O-CD 3.48Å; L185-K238 VanDerWaalsContact O-CE 3.28Å; L185-K238 WeakPolarHBondContact O-CE 3.34Å; L185-K238 PolarHBondContact O-NZ 3.19Å
186C96.2Very high93Very high20 Ų2046.8 Ų46.814%0.13523%0.23CC..  trans-107.5157.1173.8-67.20000110.6L236 K238C186-L236 HydrophobicContact CB-CB 3.68Å; C186-L236 HydrophobicContact CB-CD1 3.86Å; C186-L236 HydrophobicContact CB-CG 4.38Å; C186-K238 HydrophobicContact CB-CB 4.12Å
187D94.3Very high93.7Very high61 Ų6141.5 Ų41.533%0.32621%0.208SC..SBendtrans-79.2-39.9-170.6-47.7-35.8000111.5M237 K238 R239 F382D187-M237 PolarHBondContact N-O 2.96Å; D187-K238 VanDerWaalsContact OD2-CA 3.23Å; D187-K238 WeakPolarHBondContact OD2-CA 3.41Å; D187-R239 PolarHBondContact OD2-N 3.07Å; D187-F382 HydrophobicContact CB-CD1 3.63Å; D187-F382 HydrophobicContact CB-CE1 4.28Å; D187-F382 WeakPolarHBondContact OD2-CD1 3.33Å; D187-F382 WeakPolarHBondContact OD2-CE1 3.28Å
188Y91.7Very high94.3Very high68 Ų6838.8 Ų38.827%0.26719%0.191SC..EExtended strand (participates in β ladder)trans-143.5150.2-174.8-55.1-64.5000113.3H193 L236 M237 F382Y188-H193 AromaticContact CD2-ND1 3.99Å; Y188-L236 CarbonylContact O-C 3.46Å; Y188-L236 VanDerWaalsContact O-CA 3.23Å; Y188-L236 WeakPolarHBondContact O-CA 3.37Å; Y188-M237 HydrophobicContact CD2-CE 4.29Å; Y188-M237 PolarHBondContact N-O 2.8Å; Y188-M237 PolarHBondContact O-N 3.02Å; Y188-F382 HydrophobicContact CD2-CD1 4.22Å; Y188-F382 HydrophobicContact CD2-CE1 4.27Å; Y188-F382 AromaticContact CE2-CD1 3.38Å; Y188-F382 HydrophobicContact CE2-CD1 3.38Å; Y188-F382 AromaticContact CE2-CE1 3.66Å; Y188-F382 HydrophobicContact CE2-CE1 3.66Å; Y188-F382 HydrophobicContact CE2-CG 4.47Å
189N95Very high94.5Very high45 Ų4544 Ų4424%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-76.1131.4158.2-178-83.5000109.5K191 I192 H193 R233 L236N189-K191 PolarHBondContact O-N 3.04Å; N189-K191 WeakPolarHBondContact OD1-CB 3.2Å; N189-K191 PolarHBondContact OD1-N 2.87Å; N189-I192 HydrophobicContact CB-CB 4.24Å; N189-I192 HydrophobicContact CB-CD1 3.96Å; N189-I192 HydrophobicContact CB-CG1 4.05Å; N189-I192 PolarHBondContact O-N 3.12Å; N189-I192 PolarHBondContact OD1-N 3.18Å; N189-H193 WeakPolarHBondContact O-CB 3.33Å; N189-H193 PolarHBondContact O-N 2.87Å; N189-R233 PolarHBondContact ND2-O 2.89Å; N189-L236 HydrophobicContact CB-CD2 4.29Å
190L96.8Very high94.7Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-61.1-44.9-174.7176.664000111.8I192 H193 L194 I209 C235 M237 V242 V297L190-I192 VanDerWaalsContact C-N 3.31Å; L190-I192 PolarHBondContact O-N 3.46Å; L190-H193 WeakPolarHBondContact O-CB 3.06Å; L190-H193 PolarHBondContact O-N 2.86Å; L190-H193 VanDerWaalsContact O-N 3.13Å; L190-L194 HydrophobicContact CD1-CD1 4.29Å; L190-L194 HydrophobicContact CD1-CD2 4.38Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 3.99Å; L190-L194 HydrophobicContact CG-CG 4.23Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.31Å; L190-L194 PolarHBondContact O-N 3.29Å; L190-I209 HydrophobicContact CD1-CD1 4.13Å; L190-I209 HydrophobicContact CD1-CG2 4.08Å; L190-I209 HydrophobicContact CD2-CG2 3.86Å; L190-C235 HydrophobicContact CB-CB 3.75Å; L190-C235 VanDerWaalsContact CB-O 3.23Å; L190-C235 WeakPolarHBondContact CB-O 3.4Å; L190-C235 HydrophobicContact CD2-CB 3.54Å; L190-C235 HydrophobicContact CG-CB 4.29Å; L190-C235 PolarHBondContact N-O 2.87Å; L190-M237 HydrophobicContact CB-CG 4.49Å; L190-M237 HydrophobicContact CD1-CG 4.13Å; L190-M237 HydrophobicContact CD1-SD 3.8Å; L190-V242 HydrophobicContact CD1-CG2 4.37Å; L190-V242 HydrophobicContact CD2-CG1 4.14Å; L190-V297 HydrophobicContact CD2-CG2 4.27Å
191K96.5Very high94.6Very high29 Ų2948.1 Ų48.113%0.12625%0.246CC..Hα-helixtrans-59.1-42.8178.8-170.8169.2-175.9162.90112.1N189 K195 A232 R233 E296 E303N189-K191 PolarHBondContact O-N 3.04Å; N189-K191 WeakPolarHBondContact OD1-CB 3.2Å; N189-K191 PolarHBondContact OD1-N 2.87Å; K191-K195 PolarHBondContact O-N 2.72Å; K191-A232 HydrophobicContact CB-CB 4.12Å; K191-A232 PolarHBondContact N-O 3.44Å; K191-R233 HydrophobicContact CD-CB 4.2Å; K191-E296 IonicContact NZ-OE1 2.94Å; K191-E303 IonicContact NZ-OE2 2.88Å; K191-E303 PolarHBondContact NZ-OE2 3.35Å
192I94.8Very high94.6Very high114 Ų11450.6 Ų50.659%0.58526%0.261SS*.Hα-helixtrans-66.1-43.4175.8-59.6179.3000110.5N189 L190 L194 K195 K196N189-I192 HydrophobicContact CB-CB 4.24Å; N189-I192 HydrophobicContact CB-CD1 3.96Å; N189-I192 HydrophobicContact CB-CG1 4.05Å; N189-I192 PolarHBondContact O-N 3.12Å; N189-I192 PolarHBondContact OD1-N 3.18Å; L190-I192 VanDerWaalsContact C-N 3.31Å; L190-I192 PolarHBondContact O-N 3.46Å; I192-L194 PolarHBondContact O-N 3.04Å; I192-K195 PolarHBondContact O-N 2.88Å; I192-K196 WeakPolarHBondContact O-CB 3.23Å; I192-K196 PolarHBondContact O-N 3.13Å
193H94.8Very high94.4Very high5 Ų553.4 Ų53.42%0.02328%0.275CS..Hα-helixtrans-60.2-44.4178.8-178.582.7000112.2Y188 N189 L190 K196 N197 M237 F379Y188-H193 AromaticContact CD2-ND1 3.99Å; N189-H193 WeakPolarHBondContact O-CB 3.33Å; N189-H193 PolarHBondContact O-N 2.87Å; L190-H193 WeakPolarHBondContact O-CB 3.06Å; L190-H193 PolarHBondContact O-N 2.86Å; L190-H193 VanDerWaalsContact O-N 3.13Å; H193-K196 PolarHBondContact O-N 3.32Å; H193-N197 PolarHBondContact CE1-ND2 3.5Å; H193-N197 VanDerWaalsContact CE1-ND2 3.35Å; H193-N197 PolarHBondContact ND1-ND2 3.06Å; H193-N197 WeakPolarHBondContact O-CB 3.46Å; H193-N197 PolarHBondContact O-N 3.15Å; H193-N197 PolarHBondContact O-ND2 3.19Å; H193-M237 HydrophobicContact CB-SD 4.43Å; H193-F379 AromaticContact CE1-CD1 3.96Å
194L96.3Very high94.2Very high0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-59.2-48.4176.9-70.4167.1000111.5L190 I192 N197 A198 L201 I209 A232 V297 N300L190-L194 HydrophobicContact CD1-CD1 4.29Å; L190-L194 HydrophobicContact CD1-CD2 4.38Å; L190-L194 HydrophobicContact CD1-CG 4.03Å; L190-L194 HydrophobicContact CG-CD1 3.99Å; L190-L194 HydrophobicContact CG-CG 4.23Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.31Å; L190-L194 PolarHBondContact O-N 3.29Å; I192-L194 PolarHBondContact O-N 3.04Å; L194-N197 PolarHBondContact O-N 3.14Å; L194-A198 WeakPolarHBondContact O-CA 3.28Å; L194-A198 PolarHBondContact O-N 3.46Å; L194-A198 VanDerWaalsContact O-N 3.09Å; L194-L201 HydrophobicContact CD2-CD1 3.94Å; L194-I209 HydrophobicContact CD2-CD1 4.42Å; L194-A232 HydrophobicContact CD1-CB 4.32Å; L194-V297 HydrophobicContact CD1-CB 4.41Å; L194-V297 HydrophobicContact CD1-CG2 4.01Å; L194-V297 HydrophobicContact CD2-CG1 4.18Å; L194-N300 CarbonylContact C-O 3.53Å
195K95.8Very high94.1Very high123 Ų12355.5 Ų55.554%0.53529%0.287SS..Hα-helixtrans-63.2-46.4178.9-72.6-172.2176.1-166.60112K191 I192 N197 N300 G301K191-K195 PolarHBondContact O-N 2.72Å; I192-K195 PolarHBondContact O-N 2.88Å; K195-N197 VanDerWaalsContact C-N 3.32Å; K195-N197 PolarHBondContact O-N 2.99Å; K195-N300 WeakPolarHBondContact CA-O 3.24Å; K195-N300 WeakPolarHBondContact CG-O 3.31Å; K195-N300 PolarHBondContact N-O 3.39Å; K195-G301 WeakPolarHBondContact CE-O 2.97Å
196K94.7Very high94Very high167 Ų16755.1 Ų55.173%0.72628%0.284SS*.Hα-helixtrans-68.4-29.8-177-173.7176.7179.6179.20113.1I192 H193I192-K196 WeakPolarHBondContact O-CB 3.23Å; I192-K196 PolarHBondContact O-N 3.13Å; H193-K196 PolarHBondContact O-N 3.32Å
197N93.2Very high94Very high17 Ų1754.8 Ų54.89%0.09128%0.28CS..THydrogen-bonded Turntrans-116.921.6-172.4-61.7-75.7000113.5H193 L194 K195 S199 K200 L201 F379H193-N197 PolarHBondContact CE1-ND2 3.5Å; H193-N197 VanDerWaalsContact CE1-ND2 3.35Å; H193-N197 PolarHBondContact ND1-ND2 3.06Å; H193-N197 WeakPolarHBondContact O-CB 3.46Å; H193-N197 PolarHBondContact O-N 3.15Å; H193-N197 PolarHBondContact O-ND2 3.19Å; L194-N197 PolarHBondContact O-N 3.14Å; K195-N197 VanDerWaalsContact C-N 3.32Å; K195-N197 PolarHBondContact O-N 2.99Å; N197-S199 PolarHBondContact O-N 2.68Å; N197-S199 VanDerWaalsContact O-N 3.14Å; N197-K200 HydrophobicContact CB-CB 4.43Å; N197-K200 PolarHBondContact O-N 3Å; N197-L201 HydrophobicContact CB-CD1 4.17Å; N197-L201 HydrophobicContact CB-CG 4.21Å; N197-L201 WeakPolarHBondContact O-CG 3.47Å; N197-L201 PolarHBondContact O-N 3.07Å; N197-L201 VanDerWaalsContact O-N 3.08Å; N197-F379 HydrophobicContact CB-CD1 4.31Å; N197-F379 HydrophobicContact CB-CE1 3.74Å
198A91.8Very high94Very high36 Ų3653.4 Ų53.430%0.29827%0.272SS..THydrogen-bonded Turntrans-50.2-41.5-175.900000113.8L194 K200 N300L194-A198 WeakPolarHBondContact O-CA 3.28Å; L194-A198 PolarHBondContact O-N 3.46Å; L194-A198 VanDerWaalsContact O-N 3.09Å; A198-K200 VanDerWaalsContact C-N 3.35Å; A198-N300 HydrophobicContact CB-CB 3.75Å
199S90.7Very high94.2Very high119 Ų11950.2 Ų50.283%0.83226%0.259SS*.THydrogen-bonded Turntrans-78-15.2179.557.20000114.6N197N197-S199 PolarHBondContact O-N 2.68Å; N197-S199 VanDerWaalsContact O-N 3.14Å
200K92Very high94.3Very high125 Ų12548.1 Ų48.154%0.54325%0.248SC..THydrogen-bonded Turntrans-99.5-22.9-176.7-62.1-177.1-178179.40113N197 A198 F379N197-K200 HydrophobicContact CB-CB 4.43Å; N197-K200 PolarHBondContact O-N 3Å; A198-K200 VanDerWaalsContact C-N 3.35Å; K200-F379 HydrophobicContact CB-CE1 3.87Å; K200-F379 HydrophobicContact CB-CZ 4.46Å; K200-F379 HydrophobicContact CD-CE1 4.37Å
201L92Very high94.3Very high12 Ų1248.7 Ų48.76%0.06325%0.252CS..  trans-84.3116.9-178.5-71.1167.1000110.5L194 N197 D205 W375 F379L194-L201 HydrophobicContact CD2-CD1 3.94Å; N197-L201 HydrophobicContact CB-CD1 4.17Å; N197-L201 HydrophobicContact CB-CG 4.21Å; N197-L201 WeakPolarHBondContact O-CG 3.47Å; N197-L201 PolarHBondContact O-N 3.07Å; N197-L201 VanDerWaalsContact O-N 3.08Å; L201-D205 HydrophobicContact CD2-CB 4.04Å; L201-W375 HydrophobicContact CD2-CE3 4.16Å; L201-W375 HydrophobicContact CD2-CH2 4.28Å; L201-W375 HydrophobicContact CD2-CZ3 3.47Å; L201-W375 VanDerWaalsContact CD2-CZ3 3.47Å; L201-F379 HydrophobicContact CD2-CE1 4.35Å; L201-F379 HydrophobicContact CD2-CE2 4.12Å; L201-F379 HydrophobicContact CD2-CZ 3.49Å; L201-F379 VanDerWaalsContact CD2-CZ 3.49Å; L201-F379 HydrophobicContact CG-CZ 4.06Å
202T93.4Very high94.4Very high55 Ų5547.9 Ų47.934%0.33725%0.248SC..  trans-74.5164.5173.170.10000110.9N204 D205 K206T202-N204 PolarHBondContact O-N 2.96Å; T202-N204 PolarHBondContact OG1-N 3.44Å; T202-D205 WeakPolarHBondContact CB-OD2 3.24Å; T202-D205 PolarHBondContact N-OD2 3.15Å; T202-D205 PolarHBondContact O-N 2.95Å; T202-D205 PolarHBondContact OG1-N 2.94Å; T202-D205 PolarHBondContact OG1-OD1 2.88Å; T202-D205 PolarHBondContact OG1-OD2 3.32Å; T202-K206 WeakPolarHBondContact O-CG 3.43Å; T202-K206 PolarHBondContact O-N 3.35Å; T202-K206 VanDerWaalsContact O-N 3.15Å
203I93Very high94.5Very high59 Ų5942.5 Ų42.530%0.30322%0.22SC..Hα-helixtrans-59-34.1173.5-170.958.7000112.4K206 I207 L298 P338I203-K206 WeakPolarHBondContact O-CB 3.36Å; I203-K206 PolarHBondContact O-N 3.06Å; I203-I207 HydrophobicContact CG1-CD1 4.16Å; I203-I207 VanDerWaalsContact O-CG1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 2.79Å; I203-L298 HydrophobicContact CD1-CD2 3.43Å; I203-L298 VanDerWaalsContact CD1-CD2 3.43Å; I203-P338 HydrophobicContact CG1-CG 4.01Å
204N92.7Very high94.7Very high75 Ų7542.2 Ų42.240%0.40122%0.219SC..Hα-helixtrans-69.9-36.9177.8-70.3-24.1000111.9T202 K206 I207 Q208T202-N204 PolarHBondContact O-N 2.96Å; T202-N204 PolarHBondContact OG1-N 3.44Å; N204-K206 VanDerWaalsContact C-N 3.3Å; N204-K206 PolarHBondContact O-N 3.24Å; N204-I207 PolarHBondContact O-N 2.85Å; N204-Q208 WeakPolarHBondContact O-CB 3.31Å; N204-Q208 PolarHBondContact O-N 2.74Å
205D93.4Very high94.8Very high8 Ų844.2 Ų44.24%0.04323%0.229CC..Hα-helixtrans-62.8-41.8175.1-54.8-29.3000110.5L201 T202 Q208 I209 W375L201-D205 HydrophobicContact CD2-CB 4.04Å; T202-D205 WeakPolarHBondContact CB-OD2 3.24Å; T202-D205 PolarHBondContact N-OD2 3.15Å; T202-D205 PolarHBondContact O-N 2.95Å; T202-D205 PolarHBondContact OG1-N 2.94Å; T202-D205 PolarHBondContact OG1-OD1 2.88Å; T202-D205 PolarHBondContact OG1-OD2 3.32Å; D205-Q208 WeakPolarHBondContact O-CB 3.49Å; D205-Q208 PolarHBondContact O-N 2.98Å; D205-I209 WeakPolarHBondContact O-CG1 3.48Å; D205-I209 PolarHBondContact O-N 2.82Å; D205-W375 HydrophobicContact CB-CD2 3.93Å; D205-W375 HydrophobicContact CB-CE3 3.63Å; D205-W375 HydrophobicContact CB-CG 4.39Å; D205-W375 HydrophobicContact CB-CZ3 4.13Å; D205-W375 WeakPolarHBondContact OD1-CB 3.29Å
206K95.2Very high94.9Very high20 Ų2038.4 Ų38.49%0.08720%0.203CC..Hα-helixtrans-64.3-42.6175.6-69.9177177.9-175.70112.6T202 I203 N204 Q208 I209 C210 V297 L298 N300T202-K206 WeakPolarHBondContact O-CG 3.43Å; T202-K206 PolarHBondContact O-N 3.35Å; T202-K206 VanDerWaalsContact O-N 3.15Å; I203-K206 WeakPolarHBondContact O-CB 3.36Å; I203-K206 PolarHBondContact O-N 3.06Å; N204-K206 VanDerWaalsContact C-N 3.3Å; N204-K206 PolarHBondContact O-N 3.24Å; K206-Q208 VanDerWaalsContact C-N 3.32Å; K206-I209 WeakPolarHBondContact O-CB 3.2Å; K206-I209 PolarHBondContact O-N 2.9Å; K206-C210 PolarHBondContact O-N 2.7Å; K206-C210 VanDerWaalsContact O-N 3.07Å; K206-C210 PolarHBondContact O-SG 3.42Å; K206-V297 HydrophobicContact CB-CG1 3.74Å; K206-V297 WeakPolarHBondContact CD-O 3.49Å; K206-V297 HydrophobicContact CG-CG1 4.03Å; K206-L298 HydrophobicContact CB-CD2 4.36Å; K206-L298 HydrophobicContact CD-CD2 4.49Å; K206-L298 PolarHBondContact NZ-O 2.89Å; K206-N300 WeakPolarHBondContact CE-OD1 3.34Å; K206-N300 PolarHBondContact NZ-OD1 3.32Å
207I95.5Very high95Very high12 Ų1230.5 Ų30.56%0.06217%0.169CC..Hα-helixtrans-64.2-40.1175.2-70.4167.9000110.7I203 N204 C210 L211 P338 V341 L366I203-I207 HydrophobicContact CG1-CD1 4.16Å; I203-I207 VanDerWaalsContact O-CG1 3.31Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 2.79Å; N204-I207 PolarHBondContact O-N 2.85Å; I207-C210 WeakPolarHBondContact O-CB 3.26Å; I207-C210 PolarHBondContact O-N 3.37Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-P338 HydrophobicContact CD1-CG 4.02Å; I207-V341 HydrophobicContact CD1-CG2 3.84Å; I207-V341 HydrophobicContact CG1-CG2 4.05Å; I207-L366 HydrophobicContact CG2-CD2 4.14Å
208Q94.7Very high95.2Very high33 Ų3329.9 Ų29.915%0.15417%0.166CC..Hα-helixtrans-62.8-41.8176.3-177.258.434.800111.9N204 D205 K206 C210 L211 E212 A371N204-Q208 WeakPolarHBondContact O-CB 3.31Å; N204-Q208 PolarHBondContact O-N 2.74Å; D205-Q208 WeakPolarHBondContact O-CB 3.49Å; D205-Q208 PolarHBondContact O-N 2.98Å; K206-Q208 VanDerWaalsContact C-N 3.32Å; Q208-C210 PolarHBondContact O-N 3.24Å; Q208-L211 WeakPolarHBondContact O-CB 3.27Å; Q208-L211 PolarHBondContact O-N 2.9Å; Q208-E212 PolarHBondContact NE2-OE1 2.8Å; Q208-E212 VanDerWaalsContact NE2-OE1 3.13Å; Q208-E212 PolarHBondContact O-N 3.46Å; Q208-A371 HydrophobicContact CB-CB 4.37Å
209I96.4Very high95.5Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-56.4-49171.6-74.6162.4000110.7L190 L194 D205 K206 L211 E212 V213 V242 V297 W375L190-I209 HydrophobicContact CD1-CD1 4.13Å; L190-I209 HydrophobicContact CD1-CG2 4.08Å; L190-I209 HydrophobicContact CD2-CG2 3.86Å; L194-I209 HydrophobicContact CD2-CD1 4.42Å; D205-I209 WeakPolarHBondContact O-CG1 3.48Å; D205-I209 PolarHBondContact O-N 2.82Å; K206-I209 WeakPolarHBondContact O-CB 3.2Å; K206-I209 PolarHBondContact O-N 2.9Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 PolarHBondContact O-N 3.05Å; I209-E212 PolarHBondContact O-N 3.48Å; I209-V213 WeakPolarHBondContact O-CG2 3.18Å; I209-V213 PolarHBondContact O-N 2.96Å; I209-V242 HydrophobicContact CB-CG2 4.25Å; I209-V242 HydrophobicContact CG1-CG2 3.9Å; I209-V242 HydrophobicContact CG2-CG2 4Å; I209-V297 HydrophobicContact CB-CG1 4.34Å; I209-V297 HydrophobicContact CG2-CG1 4.01Å; I209-V297 HydrophobicContact CG2-CG2 3.81Å; I209-W375 HydrophobicContact CD1-CH2 3.87Å; I209-W375 HydrophobicContact CD1-CZ2 4.26Å; I209-W375 HydrophobicContact CG1-CH2 4.04Å; I209-W375 HydrophobicContact CG1-CZ2 3.92Å
210C97.7Very high95.8Very high1 Ų124.3 Ų24.31%0.00712%0.119CC..Hα-helixtrans-62.2-39.4178.7-66.20000112.2K206 I207 Q208 V213 S214 F290 M294 L366K206-C210 PolarHBondContact O-N 2.7Å; K206-C210 VanDerWaalsContact O-N 3.07Å; K206-C210 PolarHBondContact O-SG 3.42Å; I207-C210 WeakPolarHBondContact O-CB 3.26Å; I207-C210 PolarHBondContact O-N 3.37Å; Q208-C210 PolarHBondContact O-N 3.24Å; C210-V213 PolarHBondContact O-N 2.81Å; C210-S214 WeakPolarHBondContact O-CB 3.36Å; C210-S214 PolarHBondContact O-N 2.95Å; C210-F290 HydrophobicContact CB-CZ 4.45Å; C210-F290 WeakPolarHBondContact O-CE2 3.31Å; C210-F290 WeakPolarHBondContact O-CZ 3.37Å; C210-M294 HydrophobicContact CB-CG 4.22Å; C210-L366 HydrophobicContact CB-CD1 4.06Å; C210-L366 HydrophobicContact CB-CD2 4.4Å
211L96.7Very high95.9Very high13 Ų1319.9 Ų19.97%0.06810%0.103CC..Hα-helixtrans-60.8-50.3176.2176.461.2000110.8I207 Q208 I209 V213 S214 E215 R363 L366I207-L211 PolarHBondContact O-N 3.27Å; Q208-L211 WeakPolarHBondContact O-CB 3.27Å; Q208-L211 PolarHBondContact O-N 2.9Å; I209-L211 VanDerWaalsContact C-N 3.32Å; I209-L211 PolarHBondContact O-N 3.05Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.2Å; L211-S214 PolarHBondContact O-N 3.42Å; L211-S214 PolarHBondContact O-OG 3.41Å; L211-E215 WeakPolarHBondContact O-CG 3.36Å; L211-E215 PolarHBondContact O-N 3.32Å; L211-R363 HydrophobicContact CD1-CB 4.26Å; L211-R363 HydrophobicContact CD1-CG 4.3Å; L211-L366 HydrophobicContact CB-CB 4.13Å; L211-L366 HydrophobicContact CD1-CB 4.04Å
212E97.1Very high96.1Very high12 Ų1224.6 Ų24.66%0.05613%0.128CC..Hα-helixtrans-60.4-40.6179.3-79-179.5-158.900112.9N165 Q208 I209 E215 G216 R241 V242N165-E212 VanDerWaalsContact CB-O 3.25Å; N165-E212 WeakPolarHBondContact CB-O 3.47Å; N165-E212 WeakPolarHBondContact ND2-CB 3.47Å; Q208-E212 PolarHBondContact NE2-OE1 2.8Å; Q208-E212 VanDerWaalsContact NE2-OE1 3.13Å; Q208-E212 PolarHBondContact O-N 3.46Å; I209-E212 PolarHBondContact O-N 3.48Å; E212-E215 PolarHBondContact O-N 2.99Å; E212-G216 PolarHBondContact O-N 2.93Å; E212-G216 VanDerWaalsContact O-N 3.1Å; E212-R241 WeakPolarHBondContact OE2-CA 3.38Å; E212-V242 HydrophobicContact CB-CB 4.36Å; E212-V242 PolarHBondContact OE2-N 3.19Å
213V98.2Very high96.1Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-62.9-44.3173173.90000110.5I209 C210 L211 E215 G216 L217 V242 I244 F290 L293I209-V213 WeakPolarHBondContact O-CG2 3.18Å; I209-V213 PolarHBondContact O-N 2.96Å; C210-V213 PolarHBondContact O-N 2.81Å; L211-V213 VanDerWaalsContact C-N 3.33Å; L211-V213 PolarHBondContact O-N 3.2Å; V213-E215 VanDerWaalsContact C-N 3.27Å; V213-E215 PolarHBondContact O-N 3.5Å; V213-G216 PolarHBondContact O-N 3.45Å; V213-G216 VanDerWaalsContact O-N 3.17Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.32Å; V213-L217 WeakPolarHBondContact O-CG 3.2Å; V213-L217 PolarHBondContact O-N 2.8Å; V213-V242 HydrophobicContact CG2-CB 4.35Å; V213-V242 HydrophobicContact CG2-CG1 3.58Å; V213-I244 HydrophobicContact CG1-CD1 4.22Å; V213-I244 HydrophobicContact CG1-CG1 4.36Å; V213-F290 HydrophobicContact CB-CE2 4.11Å; V213-F290 HydrophobicContact CG1-CD2 3.86Å; V213-F290 HydrophobicContact CG1-CE2 3.86Å; V213-L293 HydrophobicContact CB-CD2 4.35Å; V213-L293 HydrophobicContact CG1-CD1 3.82Å; V213-L293 HydrophobicContact CG1-CD2 4.06Å; V213-L293 HydrophobicContact CG2-CD1 4.46Å; V213-L293 HydrophobicContact CG2-CD2 4.24Å
214S98.1Very high96.2Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-64.1-30.1178.274.50000113.5C210 L211 A218 R363C210-S214 WeakPolarHBondContact O-CB 3.36Å; C210-S214 PolarHBondContact O-N 2.95Å; L211-S214 PolarHBondContact O-N 3.42Å; L211-S214 PolarHBondContact O-OG 3.41Å; S214-A218 WeakPolarHBondContact O-CB 3.35Å; S214-A218 PolarHBondContact O-N 2.89Å; S214-R363 WeakPolarHBondContact OG-CG 3.48Å
215E97.9Very high96.3Very high42 Ų4221.7 Ų21.720%0.19611%0.11CC..Hα-helixtrans-67.4-44.7172.2-71.1178.516000111.6N165 L211 E212 V213 A218 Y219 R363N165-E215 PolarHBondContact OD1-OE2 3.3Å; L211-E215 WeakPolarHBondContact O-CG 3.36Å; L211-E215 PolarHBondContact O-N 3.32Å; E212-E215 PolarHBondContact O-N 2.99Å; V213-E215 VanDerWaalsContact C-N 3.27Å; V213-E215 PolarHBondContact O-N 3.5Å; E215-A218 PolarHBondContact O-N 3.5Å; E215-Y219 PolarHBondContact O-N 3.37Å; E215-Y219 VanDerWaalsContact O-N 3.09Å; E215-R363 HydrophobicContact CG-CG 4.34Å
216G98Very high96.3Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-62.1-41.4174.100000112.9E212 V213 Y219 L220E212-G216 PolarHBondContact O-N 2.93Å; E212-G216 VanDerWaalsContact O-N 3.1Å; V213-G216 PolarHBondContact O-N 3.45Å; V213-G216 VanDerWaalsContact O-N 3.17Å; G216-Y219 WeakPolarHBondContact O-CB 3.46Å; G216-Y219 PolarHBondContact O-N 3.44Å; G216-L220 PolarHBondContact O-N 3.49Å; G216-L220 VanDerWaalsContact O-N 3.1Å
217L98.2Very high96.3Very high2 Ų220.6 Ų20.61%0.0111%0.105CC..Hα-helixtrans-70.2-38.9177.9-66.7175.3000112.8V213 Y219 L220 V221 I230 I244 F290 F359V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.32Å; V213-L217 WeakPolarHBondContact O-CG 3.2Å; V213-L217 PolarHBondContact O-N 2.8Å; L217-Y219 VanDerWaalsContact C-N 3.26Å; L217-Y219 PolarHBondContact O-N 2.8Å; L217-L220 HydrophobicContact CD2-CD1 4.12Å; L217-L220 PolarHBondContact O-N 3.14Å; L217-V221 WeakPolarHBondContact O-CG2 3.38Å; L217-V221 PolarHBondContact O-N 3.31Å; L217-I230 HydrophobicContact CD1-CD1 3.77Å; L217-I230 HydrophobicContact CD1-CG2 4.28Å; L217-I230 HydrophobicContact CD2-CD1 3.41Å; L217-I230 VanDerWaalsContact CD2-CD1 3.41Å; L217-I230 HydrophobicContact CD2-CG1 3.86Å; L217-I230 HydrophobicContact CG-CD1 4.24Å; L217-I244 HydrophobicContact CD2-CD1 3.74Å; L217-I244 HydrophobicContact CG-CD1 3.74Å; L217-F290 HydrophobicContact CD1-CB 3.93Å; L217-F290 HydrophobicContact CD1-CD2 3.71Å; L217-F290 HydrophobicContact CD1-CG 4.04Å; L217-F359 HydrophobicContact CB-CD1 3.73Å; L217-F359 HydrophobicContact CB-CD2 4.23Å; L217-F359 HydrophobicContact CB-CE1 3.52Å; L217-F359 HydrophobicContact CB-CE2 4.03Å; L217-F359 HydrophobicContact CB-CG 4.1Å; L217-F359 HydrophobicContact CB-CZ 3.68Å; L217-F359 HydrophobicContact CD1-CD1 4.25Å; L217-F359 HydrophobicContact CD1-CE1 3.39Å; L217-F359 HydrophobicContact CD1-CZ 3.73Å; L217-F359 HydrophobicContact CG-CE1 4.08Å; L217-F359 HydrophobicContact CG-CZ 4.23Å
218A97.3Very high96.3Very high3 Ų321.4 Ų21.43%0.02511%0.107CC..Hα-helixtrans-57.4-43.4171.700000111.1S214 E215 L220 V221 D222 F359S214-A218 WeakPolarHBondContact O-CB 3.35Å; S214-A218 PolarHBondContact O-N 2.89Å; E215-A218 PolarHBondContact O-N 3.5Å; A218-L220 PolarHBondContact O-N 2.76Å; A218-V221 PolarHBondContact O-N 3.24Å; A218-D222 VanDerWaalsContact O-CG 3.31Å; A218-D222 PolarHBondContact O-N 2.7Å; A218-F359 HydrophobicContact CB-CB 3.82Å
219Y97.6Very high96.3Very high37 Ų3720.7 Ų20.715%0.14510%0.104CC..Hα-helixtrans-61.4-41.4175.8172.9-95.2000112.8L161 S162 H163 I166 E215 G216 L217 V221 D222 K223L161-Y219 HydrophobicContact CB-CE1 4.19Å; L161-Y219 HydrophobicContact CD2-CE1 3.85Å; S162-Y219 PolarHBondContact N-OH 2.94Å; S162-Y219 PolarHBondContact O-OH 2.99Å; S162-Y219 VanDerWaalsContact O-OH 3.07Å; H163-Y219 HydrophobicContact CB-CD1 3.61Å; H163-Y219 HydrophobicContact CB-CD2 4.03Å; H163-Y219 HydrophobicContact CB-CE1 3.77Å; H163-Y219 HydrophobicContact CB-CE2 4.15Å; H163-Y219 HydrophobicContact CB-CG 3.74Å; H163-Y219 AromaticContact CD2-CD2 3.89Å; H163-Y219 AromaticContact CD2-CG 3.94Å; H163-Y219 AromaticContact CG-CG 3.78Å; I166-Y219 HydrophobicContact CG1-CD1 4.12Å; E215-Y219 PolarHBondContact O-N 3.37Å; E215-Y219 VanDerWaalsContact O-N 3.09Å; G216-Y219 WeakPolarHBondContact O-CB 3.46Å; G216-Y219 PolarHBondContact O-N 3.44Å; L217-Y219 VanDerWaalsContact C-N 3.26Å; L217-Y219 PolarHBondContact O-N 2.8Å; Y219-V221 VanDerWaalsContact C-N 3.34Å; Y219-V221 PolarHBondContact O-N 3.03Å; Y219-D222 PolarHBondContact O-N 3.29Å; Y219-K223 HydrophobicContact CD1-CG 4.45Å; Y219-K223 HydrophobicContact CD2-CG 4.48Å; Y219-K223 HydrophobicContact CE1-CG 4Å; Y219-K223 HydrophobicContact CE2-CD 4.5Å; Y219-K223 HydrophobicContact CE2-CG 4.07Å; Y219-K223 WeakPolarHBondContact O-CG 3.33Å; Y219-K223 PolarHBondContact O-N 3.21Å; Y219-K223 WeakPolarHBondContact OH-CE 3.46Å
220L96.5Very high96.3Very high1 Ų120.9 Ų20.91%0.00511%0.106CC..Hα-helixtrans-61.3-44.6176-67.8-178.3000111.5L161 I166 G216 L217 A218 K223 G224 F225 H227L161-L220 HydrophobicContact CD1-CD2 3.58Å; L161-L220 HydrophobicContact CD2-CD2 3.87Å; L161-L220 HydrophobicContact CG-CD2 4.33Å; I166-L220 HydrophobicContact CD1-CD1 4.21Å; I166-L220 HydrophobicContact CD1-CD2 3.99Å; I166-L220 HydrophobicContact CD1-CG 3.98Å; I166-L220 HydrophobicContact CG1-CD2 4.49Å; G216-L220 PolarHBondContact O-N 3.49Å; G216-L220 VanDerWaalsContact O-N 3.1Å; L217-L220 HydrophobicContact CD2-CD1 4.12Å; L217-L220 PolarHBondContact O-N 3.14Å; A218-L220 PolarHBondContact O-N 2.76Å; L220-K223 CarbonylContact O-C 3.58Å; L220-K223 PolarHBondContact O-N 2.96Å; L220-K223 VanDerWaalsContact O-N 3.14Å; L220-G224 PolarHBondContact O-N 3.11Å; L220-G224 VanDerWaalsContact O-N 3.15Å; L220-F225 HydrophobicContact CB-CB 4.36Å; L220-F225 PolarHBondContact O-N 3.4Å; L220-H227 HydrophobicContact CD1-CB 4.13Å
221V95.2Very high96.3Very high32 Ų3220.9 Ų20.919%0.19411%0.106CC..Hα-helixtrans-60.7-46.8176.8169.60000111.2L217 A218 Y219 K223 G224 E283 F359L217-V221 WeakPolarHBondContact O-CG2 3.38Å; L217-V221 PolarHBondContact O-N 3.31Å; A218-V221 PolarHBondContact O-N 3.24Å; Y219-V221 VanDerWaalsContact C-N 3.34Å; Y219-V221 PolarHBondContact O-N 3.03Å; V221-K223 PolarHBondContact O-N 2.88Å; V221-G224 WeakPolarHBondContact O-CA 3.44Å; V221-G224 PolarHBondContact O-N 3.49Å; V221-E283 HydrophobicContact CG1-CB 4.28Å; V221-E283 WeakPolarHBondContact CG1-OE2 3.4Å; V221-E283 HydrophobicContact CG2-CB 3.65Å; V221-F359 HydrophobicContact CG2-CD2 3.74Å; V221-F359 HydrophobicContact CG2-CE2 3.87Å
222D94.8Very high96.3Very high112 Ų11220.3 Ų20.360%0.59910%0.103SC*.Hα-helixtrans-61.2-27.3177.5-70.2-11.6000112.2A218 Y219 G224A218-D222 VanDerWaalsContact O-CG 3.31Å; A218-D222 PolarHBondContact O-N 2.7Å; Y219-D222 PolarHBondContact O-N 3.29Å; D222-G224 VanDerWaalsContact C-N 3.34Å
223K94.2Very high96.3Very high104 Ų10423.9 Ų23.945%0.45212%0.116SC..THydrogen-bonded Turntrans-86.7-0173.8-67.8-61.8-175.8-174.80114L161 Y219 L220 V221 F225L161-K223 HydrophobicContact CD2-CB 4.3Å; L161-K223 HydrophobicContact CD2-CG 4.35Å; Y219-K223 HydrophobicContact CD1-CG 4.45Å; Y219-K223 HydrophobicContact CD2-CG 4.48Å; Y219-K223 HydrophobicContact CE1-CG 4Å; Y219-K223 HydrophobicContact CE2-CD 4.5Å; Y219-K223 HydrophobicContact CE2-CG 4.07Å; Y219-K223 WeakPolarHBondContact O-CG 3.33Å; Y219-K223 PolarHBondContact O-N 3.21Å; Y219-K223 WeakPolarHBondContact OH-CE 3.46Å; L220-K223 CarbonylContact O-C 3.58Å; L220-K223 PolarHBondContact O-N 2.96Å; L220-K223 VanDerWaalsContact O-N 3.14Å; V221-K223 PolarHBondContact O-N 2.88Å; K223-F225 HydrophobicContact CB-CD2 3.61Å; K223-F225 HydrophobicContact CB-CE2 3.92Å; K223-F225 WeakPolarHBondContact O-CD2 3.3Å
224G94Very high96.1Very high18 Ų1824.5 Ų24.519%0.18612%0.119CC..THydrogen-bonded Turntrans72.934.4-179.500000113L220 V221 D222 R252 V253L220-G224 PolarHBondContact O-N 3.11Å; L220-G224 VanDerWaalsContact O-N 3.15Å; V221-G224 WeakPolarHBondContact O-CA 3.44Å; V221-G224 PolarHBondContact O-N 3.49Å; D222-G224 VanDerWaalsContact C-N 3.34Å; G224-R252 CarbonylContact O-C 3.41Å; G224-R252 WeakPolarHBondContact O-CA 3.48Å; G224-R252 WeakPolarHBondContact O-CG 3.06Å; G224-V253 VanDerWaalsContact O-CG2 3.31Å; G224-V253 WeakPolarHBondContact O-CG2 3.34Å; G224-V253 PolarHBondContact O-N 3.28Å
225F95.1Very high96.1Very high6 Ų624.6 Ų24.63%0.02612%0.119CC..EExtended strand (participates in β ladder)trans-113.3144.6176.2-67.9-77.2000112.2I157 L161 L220 K223 V251 R252I157-F225 HydrophobicContact CB-CE1 4.19Å; I157-F225 HydrophobicContact CD1-CE1 4.37Å; I157-F225 HydrophobicContact CG1-CD1 4.5Å; I157-F225 HydrophobicContact CG1-CE1 3.9Å; I157-F225 HydrophobicContact CG2-CD1 3.74Å; I157-F225 HydrophobicContact CG2-CE1 3.58Å; I157-F225 HydrophobicContact CG2-CG 4.44Å; I157-F225 HydrophobicContact CG2-CZ 4.14Å; L161-F225 HydrophobicContact CD2-CD2 3.74Å; L161-F225 HydrophobicContact CD2-CE2 3.77Å; L220-F225 HydrophobicContact CB-CB 4.36Å; L220-F225 PolarHBondContact O-N 3.4Å; K223-F225 HydrophobicContact CB-CD2 3.61Å; K223-F225 HydrophobicContact CB-CE2 3.92Å; K223-F225 WeakPolarHBondContact O-CD2 3.3Å; F225-V251 WeakPolarHBondContact CA-O 3.5Å; F225-R252 HydrophobicContact CD1-CB 3.89Å; F225-R252 HydrophobicContact CD1-CG 4.13Å; F225-R252 HydrophobicContact CE1-CB 3.57Å; F225-R252 HydrophobicContact CE1-CG 3.72Å; F225-R252 HydrophobicContact CZ-CB 4.38Å; F225-R252 HydrophobicContact CZ-CG 4.07Å
226I95Very high96.1Very high3 Ų324.3 Ų24.32%0.01512%0.119CC..EExtended strand (participates in β ladder)trans-114.7125.6169.1-51.2164.2000106.9R228 A250 V251 V253 A259 F281 D286I226-R228 HydrophobicContact CB-CG 4.29Å; I226-R228 HydrophobicContact CG2-CG 3.6Å; I226-A250 CarbonylContact O-C 3.52Å; I226-A250 WeakPolarHBondContact O-CA 3.39Å; I226-V251 HydrophobicContact CB-CG2 4.09Å; I226-V251 HydrophobicContact CD1-CG2 4.28Å; I226-V251 PolarHBondContact N-O 2.87Å; I226-V251 PolarHBondContact O-N 3.46Å; I226-V253 HydrophobicContact CD1-CB 4.47Å; I226-V253 HydrophobicContact CD1-CG1 3.48Å; I226-V253 VanDerWaalsContact CD1-CG1 3.48Å; I226-V253 HydrophobicContact CD1-CG2 4.14Å; I226-V253 HydrophobicContact CG1-CG1 4.25Å; I226-V253 HydrophobicContact CG1-CG2 4.09Å; I226-A259 HydrophobicContact CD1-CB 4.12Å; I226-F281 WeakPolarHBondContact CD1-O 3.46Å; I226-F281 HydrophobicContact CG2-CB 4.37Å; I226-D286 WeakPolarHBondContact CG2-OD2 3.45Å
227H94.9Very high96Very high1 Ų124.3 Ų24.31%0.00512%0.119CC..  trans-75.8-42.8-176.6-168.2-71.6000112.6L220 D229 I230 I244 T245 D246 D286L220-H227 HydrophobicContact CD1-CB 4.13Å; H227-D229 PolarHBondContact CE1-O 2.83Å; H227-D229 PolarHBondContact ND1-N 3.15Å; H227-D229 PolarHBondContact ND1-O 2.86Å; H227-D229 PolarHBondContact O-N 3.08Å; H227-I230 HydrophobicContact CB-CD1 4.17Å; H227-I230 HydrophobicContact CB-CG1 3.85Å; H227-I244 VanDerWaalsContact NE2-CG2 3.33Å; H227-I244 WeakPolarHBondContact NE2-CG2 3.36Å; H227-T245 PolarHBondContact CE1-O 2.9Å; H227-T245 PolarHBondContact NE2-O 2.63Å; H227-T245 VanDerWaalsContact NE2-O 3.11Å; H227-D246 PolarHBondContact CE1-O 3.22Å; H227-D246 VanDerWaalsContact CE1-O 3.29Å; H227-D286 WeakPolarHBondContact CB-OD2 3.49Å; H227-D286 PolarHBondContact N-OD2 3.39Å
228R94.4Very high95.8Very high30 Ų3025.7 Ų25.711%0.11313%0.125CC..SBendtrans64.7-13.3179.5-54.6-167.2-64.11736.6117.4I226 L249 S261 F281 D286I226-R228 HydrophobicContact CB-CG 4.29Å; I226-R228 HydrophobicContact CG2-CG 3.6Å; R228-L249 HydrophobicContact CB-CB 4.29Å; R228-L249 PolarHBondContact NE-O 2.98Å; R228-L249 PolarHBondContact NH2-O 3.43Å; R228-S261 PolarHBondContact NH1-OG 3.05Å; R228-F281 HydrophobicContact CB-CD1 4.14Å; R228-F281 HydrophobicContact CB-CE1 4.37Å; R228-F281 HydrophobicContact CG-CB 4.03Å; R228-F281 HydrophobicContact CG-CD1 3.71Å; R228-F281 HydrophobicContact CG-CE1 4.39Å; R228-F281 HydrophobicContact CG-CG 3.92Å; R228-D286 WeakPolarHBondContact CA-OD1 3.43Å; R228-D286 PolarHBondContact N-OD1 3.11Å
229D94.5Very high95.5Very high17 Ų1734.4 Ų34.49%0.09116%0.157CC..  trans-128.553.9172.4-16116.7000114.8H227 A231 R233 N234 L249 P267H227-D229 PolarHBondContact CE1-O 2.83Å; H227-D229 PolarHBondContact ND1-N 3.15Å; H227-D229 PolarHBondContact ND1-O 2.86Å; H227-D229 PolarHBondContact O-N 3.08Å; D229-A231 PolarHBondContact O-N 2.96Å; D229-R233 IonicContact OD1-CZ 3.76Å; D229-R233 IonicContact OD1-NH2 2.83Å; D229-R233 PolarHBondContact OD1-NH2 3.01Å; D229-R233 IonicContact OD2-CZ 2.76Å; D229-R233 IonicContact OD2-NH2 3.71Å; D229-R233 PolarHBondContact OD2-NH2 3.27Å; D229-N234 PolarHBondContact O-ND2 2.85Å; D229-N234 PolarHBondContact OD2-ND2 3.25Å; D229-L249 HydrophobicContact CB-CD1 4.2Å; D229-P267 WeakPolarHBondContact OD1-CG 3.34Å
230I97.7Very high95Very high5 Ų532.7 Ų32.73%0.02615%0.15CC..  trans-77.8123.1177.5-60.8161.7000109.4L217 H227 T270 D286 A289 L293L217-I230 HydrophobicContact CD1-CD1 3.77Å; L217-I230 HydrophobicContact CD1-CG2 4.28Å; L217-I230 HydrophobicContact CD2-CD1 3.41Å; L217-I230 VanDerWaalsContact CD2-CD1 3.41Å; L217-I230 HydrophobicContact CD2-CG1 3.86Å; L217-I230 HydrophobicContact CG-CD1 4.24Å; H227-I230 HydrophobicContact CB-CD1 4.17Å; H227-I230 HydrophobicContact CB-CG1 3.85Å; I230-T270 WeakPolarHBondContact O-CG2 3.47Å; I230-D286 HydrophobicContact CD1-CB 3.42Å; I230-D286 VanDerWaalsContact CD1-CB 3.42Å; I230-D286 VanDerWaalsContact CD1-CG 3.44Å; I230-D286 WeakPolarHBondContact CD1-O 3.43Å; I230-A289 HydrophobicContact CB-CB 3.76Å; I230-A289 HydrophobicContact CD1-CB 4.43Å; I230-A289 HydrophobicContact CG2-CB 4.44Å; I230-L293 HydrophobicContact CG2-CB 4.25Å; I230-L293 HydrophobicContact CG2-CD1 3.72Å
231A97.3Very high94.8Very high1 Ų137.1 Ų37.11%0.00817%0.167CC..SBendtrans-163.7161174.700000110.2D229 R233 N234 T270D229-A231 PolarHBondContact O-N 2.96Å; A231-R233 HydrophobicContact CB-CG 3.95Å; A231-R233 PolarHBondContact O-N 2.93Å; A231-R233 VanDerWaalsContact O-N 3.15Å; A231-N234 PolarHBondContact O-N 3.34Å; A231-T270 HydrophobicContact CB-CG2 4.12Å
232A97.5Very high94.9Very high0 Ų035.6 Ų35.60%016%0.158CC..G310 helixtrans-60.1-27.5177.600000113K191 L194 N234 C235 E296K191-A232 HydrophobicContact CB-CB 4.12Å; K191-A232 PolarHBondContact N-O 3.44Å; L194-A232 HydrophobicContact CD1-CB 4.32Å; A232-N234 VanDerWaalsContact C-N 3.27Å; A232-N234 PolarHBondContact O-N 2.86Å; A232-C235 PolarHBondContact O-N 2.96Å; A232-E296 HydrophobicContact CB-CB 3.96Å; A232-E296 PolarHBondContact N-OE2 3.5Å
233R95.4Very high95.1Very high88 Ų8831.2 Ų31.233%0.33213%0.133SC..G310 helixtrans-67.5-25.617569.2178-170.7-76.1-5.9113.4N189 K191 D229 A231 C235N189-R233 PolarHBondContact ND2-O 2.89Å; K191-R233 HydrophobicContact CD-CB 4.2Å; D229-R233 IonicContact OD1-CZ 3.76Å; D229-R233 IonicContact OD1-NH2 2.83Å; D229-R233 PolarHBondContact OD1-NH2 3.01Å; D229-R233 IonicContact OD2-CZ 2.76Å; D229-R233 IonicContact OD2-NH2 3.71Å; D229-R233 PolarHBondContact OD2-NH2 3.27Å; A231-R233 HydrophobicContact CB-CG 3.95Å; A231-R233 PolarHBondContact O-N 2.93Å; A231-R233 VanDerWaalsContact O-N 3.15Å; R233-C235 VanDerWaalsContact C-N 3.33Å
234N95.9Very high95.3Very high12 Ų1226.5 Ų26.56%0.06411%0.113CC..G310 helixtrans-100.522.4178.4-67.1-11000111.5D229 A231 A232 T245 D246D229-N234 PolarHBondContact O-ND2 2.85Å; D229-N234 PolarHBondContact OD2-ND2 3.25Å; A231-N234 PolarHBondContact O-N 3.34Å; A232-N234 VanDerWaalsContact C-N 3.27Å; A232-N234 PolarHBondContact O-N 2.86Å; N234-T245 WeakPolarHBondContact O-CG2 3.43Å; N234-T245 PolarHBondContact O-N 2.91Å; N234-D246 HydrophobicContact CB-CB 4.39Å
235C97.9Very high95.3Very high2 Ų227 Ų271%0.01411%0.112CC..EExtended strand (participates in β ladder)trans-119.2135169.4-69.60000109L190 A232 R233 V242 R243L190-C235 HydrophobicContact CB-CB 3.75Å; L190-C235 VanDerWaalsContact CB-O 3.23Å; L190-C235 WeakPolarHBondContact CB-O 3.4Å; L190-C235 HydrophobicContact CD2-CB 3.54Å; L190-C235 HydrophobicContact CG-CB 4.29Å; L190-C235 PolarHBondContact N-O 2.87Å; A232-C235 PolarHBondContact O-N 2.96Å; R233-C235 VanDerWaalsContact C-N 3.33Å; C235-V242 HydrophobicContact CB-CG1 3.9Å; C235-R243 CarbonylContact C-O 3.55Å; C235-R243 WeakPolarHBondContact CA-O 3.37Å
236L97.4Very high95Very high36 Ų3629.2 Ų29.219%0.18812%0.124CC..EExtended strand (participates in β ladder)trans-113.2162.6174.5-54.7-177.7000109.6V167 C186 Y188 N189 V242 R243 T245V167-L236 HydrophobicContact CG2-CD1 3.93Å; V167-L236 HydrophobicContact CG2-CG 4.45Å; C186-L236 HydrophobicContact CB-CB 3.68Å; C186-L236 HydrophobicContact CB-CD1 3.86Å; C186-L236 HydrophobicContact CB-CG 4.38Å; Y188-L236 CarbonylContact O-C 3.46Å; Y188-L236 VanDerWaalsContact O-CA 3.23Å; Y188-L236 WeakPolarHBondContact O-CA 3.37Å; N189-L236 HydrophobicContact CB-CD2 4.29Å; L236-V242 CarbonylContact O-C 3.6Å; L236-V242 VanDerWaalsContact O-CA 3.31Å; L236-V242 WeakPolarHBondContact O-CA 3.34Å; L236-R243 PolarHBondContact N-O 3.25Å; L236-R243 PolarHBondContact O-N 2.92Å; L236-T245 HydrophobicContact CD1-CG2 4.05Å; L236-T245 HydrophobicContact CD2-CG2 4.32Å; L236-T245 HydrophobicContact CG-CG2 3.78Å
237M96Very high94.7Very high1 Ų129.2 Ų29.21%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-119.4138.1171.5-51-157.1-22.700110.4D187 Y188 L190 H193 R241 V242 W375D187-M237 PolarHBondContact N-O 2.96Å; Y188-M237 HydrophobicContact CD2-CE 4.29Å; Y188-M237 PolarHBondContact N-O 2.8Å; Y188-M237 PolarHBondContact O-N 3.02Å; L190-M237 HydrophobicContact CB-CG 4.49Å; L190-M237 HydrophobicContact CD1-CG 4.13Å; L190-M237 HydrophobicContact CD1-SD 3.8Å; H193-M237 HydrophobicContact CB-SD 4.43Å; M237-R241 CarbonylContact C-O 3.57Å; M237-R241 WeakPolarHBondContact CA-O 3.33Å; M237-V242 HydrophobicContact CG-CG2 4.2Å; M237-V242 HydrophobicContact SD-CG2 4.29Å; M237-W375 HydrophobicContact CE-CH2 4.38Å; M237-W375 HydrophobicContact SD-CH2 4.42Å
238K94.5Very high94.2Very high30 Ų3030 Ų3013%0.1313%0.132CC..EExtended strand (participates in β ladder)trans-142.7128.4170.9174.5-177.1-168.6165.80111.6E184 L185 C186 D187 G240 R241 R243E184-K238 WeakPolarHBondContact OE2-CD 3.42Å; E184-K238 WeakPolarHBondContact OE2-CE 3.42Å; E184-K238 IonicContact OE2-NZ 3.03Å; E184-K238 PolarHBondContact OE2-NZ 3.38Å; L185-K238 VanDerWaalsContact O-CD 3.31Å; L185-K238 WeakPolarHBondContact O-CD 3.48Å; L185-K238 VanDerWaalsContact O-CE 3.28Å; L185-K238 WeakPolarHBondContact O-CE 3.34Å; L185-K238 PolarHBondContact O-NZ 3.19Å; C186-K238 HydrophobicContact CB-CB 4.12Å; D187-K238 VanDerWaalsContact OD2-CA 3.23Å; D187-K238 WeakPolarHBondContact OD2-CA 3.41Å; K238-G240 PolarHBondContact O-N 3.04Å; K238-R241 PolarHBondContact N-O 2.83Å; K238-R241 PolarHBondContact O-N 3.2Å; K238-R243 PolarHBondContact O-NH1 2.68Å
239R90.1Very high93.7Very high187 Ų18730.9 Ų30.971%0.70614%0.14SC*.THydrogen-bonded Turntrans50.341.7-176-59.7175.4-178.5168.6-0.7111.6D187 R241D187-R239 PolarHBondContact OD2-N 3.07Å; R239-R241 VanDerWaalsContact C-N 3.28Å; R239-R241 PolarHBondContact O-N 2.8Å
240G86.6Confident93.5Very high0 Ų030.2 Ų30.20%014%0.136CC..THydrogen-bonded Turntrans763.3179.100000117.1K238 Y376K238-G240 PolarHBondContact O-N 3.04Å; G240-Y376 VanDerWaalsContact CA-CG 3.42Å
241R93.3Very high93.1Very high94 Ų9431.3 Ų31.336%0.35514%0.143SC..EExtended strand (participates in β ladder)trans-111.4140.8175.6-61.9-156.8-63.9-161.12.2112.4E212 M237 K238 R239 R243E212-R241 WeakPolarHBondContact OE2-CA 3.38Å; M237-R241 CarbonylContact C-O 3.57Å; M237-R241 WeakPolarHBondContact CA-O 3.33Å; K238-R241 PolarHBondContact N-O 2.83Å; K238-R241 PolarHBondContact O-N 3.2Å; R239-R241 VanDerWaalsContact C-N 3.28Å; R239-R241 PolarHBondContact O-N 2.8Å; R241-R243 PolarHBondContact O-NH1 3.33Å; R241-R243 VanDerWaalsContact O-NH1 3.09Å
242V97.1Very high92.8Very high1 Ų138.3 Ų38.31%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-81.1140.2178.1-176.70000110.6N165 L190 I209 E212 V213 C235 L236 M237N165-V242 WeakPolarHBondContact CA-O 3.26Å; N165-V242 PolarHBondContact ND2-O 2.85Å; L190-V242 HydrophobicContact CD1-CG2 4.37Å; L190-V242 HydrophobicContact CD2-CG1 4.14Å; I209-V242 HydrophobicContact CB-CG2 4.25Å; I209-V242 HydrophobicContact CG1-CG2 3.9Å; I209-V242 HydrophobicContact CG2-CG2 4Å; E212-V242 HydrophobicContact CB-CB 4.36Å; E212-V242 PolarHBondContact OE2-N 3.19Å; V213-V242 HydrophobicContact CG2-CB 4.35Å; V213-V242 HydrophobicContact CG2-CG1 3.58Å; C235-V242 HydrophobicContact CB-CG1 3.9Å; L236-V242 CarbonylContact O-C 3.6Å; L236-V242 VanDerWaalsContact O-CA 3.31Å; L236-V242 WeakPolarHBondContact O-CA 3.34Å; M237-V242 HydrophobicContact CG-CG2 4.2Å; M237-V242 HydrophobicContact SD-CG2 4.29Å
243R97.9Very high92.3Very high19 Ų1939.9 Ų39.97%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-132.9128.8179.1-71164.917474.1-8.2109.9Q164 N165 V167 E184 C235 L236 K238 R241Q164-R243 WeakPolarHBondContact O-CG 3.34Å; N165-R243 CarbonylContact O-C 3.6Å; N165-R243 WeakPolarHBondContact O-CA 3.3Å; V167-R243 HydrophobicContact CG2-CB 3.79Å; E184-R243 WeakPolarHBondContact OE1-CD 3.36Å; E184-R243 IonicContact OE1-CZ 3.51Å; E184-R243 IonicContact OE1-NE 3.99Å; E184-R243 PolarHBondContact OE1-NE 2.73Å; E184-R243 IonicContact OE2-NE 3.46Å; E184-R243 IonicContact OE2-NH2 2.73Å; C235-R243 CarbonylContact C-O 3.55Å; C235-R243 WeakPolarHBondContact CA-O 3.37Å; L236-R243 PolarHBondContact N-O 3.25Å; L236-R243 PolarHBondContact O-N 2.92Å; K238-R243 PolarHBondContact O-NH1 2.68Å; R241-R243 PolarHBondContact O-NH1 3.33Å; R241-R243 VanDerWaalsContact O-NH1 3.09Å
244I98.3Very high91.5Very high5 Ų541 Ų413%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-76.3141.3173.8-60.4156.2000108.9N165 I166 V167 V213 L217 H227N165-I244 PolarHBondContact O-N 2.81Å; I166-I244 HydrophobicContact CD1-CB 3.88Å; I166-I244 HydrophobicContact CD1-CD1 3.95Å; I166-I244 HydrophobicContact CD1-CG1 4.46Å; V167-I244 PolarHBondContact N-O 2.89Å; V213-I244 HydrophobicContact CG1-CD1 4.22Å; V213-I244 HydrophobicContact CG1-CG1 4.36Å; L217-I244 HydrophobicContact CD2-CD1 3.74Å; L217-I244 HydrophobicContact CG-CD1 3.74Å; H227-I244 VanDerWaalsContact NE2-CG2 3.33Å; H227-I244 WeakPolarHBondContact NE2-CG2 3.36Å
245T95.3Very high90.5Very high28 Ų2844.3 Ų44.317%0.17223%0.232CC..  trans-138.7178.8-179.8-164.20000110.8H227 N234 L236H227-T245 PolarHBondContact CE1-O 2.9Å; H227-T245 PolarHBondContact NE2-O 2.63Å; H227-T245 VanDerWaalsContact NE2-O 3.11Å; N234-T245 WeakPolarHBondContact O-CG2 3.43Å; N234-T245 PolarHBondContact O-N 2.91Å; L236-T245 HydrophobicContact CD1-CG2 4.05Å; L236-T245 HydrophobicContact CD2-CG2 4.32Å; L236-T245 HydrophobicContact CG-CG2 3.78Å
246D89.2Confident89.2Confident53 Ų5347.2 Ų47.228%0.28326%0.257SS..  trans64.769.1175.4-155.219000114.2K137 H227 N234 G248K137-D246 IonicContact NZ-OD1 2.8Å; K137-D246 PolarHBondContact NZ-OD1 2.98Å; H227-D246 PolarHBondContact CE1-O 3.22Å; H227-D246 VanDerWaalsContact CE1-O 3.29Å; N234-D246 HydrophobicContact CB-CB 4.39Å; D246-G248 PolarHBondContact O-N 3.4Å
247L88Confident88.6Confident3 Ų354.2 Ų54.22%0.01629%0.286CS..G310 helixtrans-82.418.2178.3-62164.3000112.5E154 I157 H158 L161 L249 A250E154-L247 HydrophobicContact CG-CB 4.26Å; I157-L247 HydrophobicContact CG2-CD1 4.31Å; H158-L247 HydrophobicContact CB-CD1 3.81Å; L161-L247 HydrophobicContact CD1-CD1 3.5Å; L161-L247 VanDerWaalsContact CD1-CD1 3.5Å; L161-L247 HydrophobicContact CD1-CD2 4.26Å; L247-L249 PolarHBondContact O-N 3.21Å; L247-A250 HydrophobicContact CB-CB 3.91Å; L247-A250 HydrophobicContact CD2-CB 3.95Å; L247-A250 VanDerWaalsContact O-CB 3.3Å; L247-A250 WeakPolarHBondContact O-CB 3.27Å; L247-A250 PolarHBondContact O-N 3.16Å
248G83.2Confident88.2Confident17 Ų1757.2 Ų57.218%0.17530%0.304CS..G310 helixtrans-61.6-29.1-175.500000113.6D246D246-G248 PolarHBondContact O-N 3.4Å
249L84.4Confident87.9Confident50 Ų5056.6 Ų56.626%0.26231%0.305SS..G310 helixtrans-992.4172.2-64.3-171.8000113.1R228 D229 L247R228-L249 HydrophobicContact CB-CB 4.29Å; R228-L249 PolarHBondContact NE-O 2.98Å; R228-L249 PolarHBondContact NH2-O 3.43Å; D229-L249 HydrophobicContact CB-CD1 4.2Å; L247-L249 PolarHBondContact O-N 3.21Å
250A90.1Very high87.9Confident2 Ų254.8 Ų54.82%0.01730%0.302CS..  trans-69148.9-176.100000112.1I157 I226 L247I157-A250 HydrophobicContact CD1-CB 4.13Å; I157-A250 VanDerWaalsContact CD1-O 3.26Å; I157-A250 WeakPolarHBondContact CD1-O 3.11Å; I157-A250 HydrophobicContact CG2-CB 4.29Å; I226-A250 CarbonylContact O-C 3.52Å; I226-A250 WeakPolarHBondContact O-CA 3.39Å; L247-A250 HydrophobicContact CB-CB 3.91Å; L247-A250 HydrophobicContact CD2-CB 3.95Å; L247-A250 VanDerWaalsContact O-CB 3.3Å; L247-A250 WeakPolarHBondContact O-CB 3.27Å; L247-A250 PolarHBondContact O-N 3.16Å
251V90.8Very high87.6Confident29 Ų2955.3 Ų55.318%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-134.2148.1174.6-69.50000110.7F225 I226 A259F225-V251 WeakPolarHBondContact CA-O 3.5Å; I226-V251 HydrophobicContact CB-CG2 4.09Å; I226-V251 HydrophobicContact CD1-CG2 4.28Å; I226-V251 PolarHBondContact N-O 2.87Å; I226-V251 PolarHBondContact O-N 3.46Å; V251-A259 HydrophobicContact CG2-CB 3.8Å
252R89.3Confident86.9Confident148 Ų14859.9 Ų59.956%0.55833%0.331SS*.EExtended strand (participates in β ladder)trans-89.7134.1170.4-162.3176.2179.8-163.3-2.1109.3G224 F225 V254G224-R252 CarbonylContact O-C 3.41Å; G224-R252 WeakPolarHBondContact O-CA 3.48Å; G224-R252 WeakPolarHBondContact O-CG 3.06Å; F225-R252 HydrophobicContact CD1-CB 3.89Å; F225-R252 HydrophobicContact CD1-CG 4.13Å; F225-R252 HydrophobicContact CE1-CB 3.57Å; F225-R252 HydrophobicContact CE1-CG 3.72Å; F225-R252 HydrophobicContact CZ-CB 4.38Å; F225-R252 HydrophobicContact CZ-CG 4.07Å; R252-V254 HydrophobicContact CG-CG2 4.17Å
253V87.4Confident85.8Confident32 Ų3261.2 Ų61.219%0.19434%0.342CS..  trans-111.7119.4172.7-78.50000109.1G224 I226 A256 A259G224-V253 VanDerWaalsContact O-CG2 3.31Å; G224-V253 WeakPolarHBondContact O-CG2 3.34Å; G224-V253 PolarHBondContact O-N 3.28Å; I226-V253 HydrophobicContact CD1-CB 4.47Å; I226-V253 HydrophobicContact CD1-CG1 3.48Å; I226-V253 VanDerWaalsContact CD1-CG1 3.48Å; I226-V253 HydrophobicContact CD1-CG2 4.14Å; I226-V253 HydrophobicContact CG1-CG1 4.25Å; I226-V253 HydrophobicContact CG1-CG2 4.09Å; V253-A256 VanDerWaalsContact CB-O 3.32Å; V253-A256 WeakPolarHBondContact CB-O 3.49Å; V253-A259 HydrophobicContact CG1-CB 3.85Å
254V78.3Confident84.6Confident111 Ų11168.9 Ų68.967%0.67338%0.379SS*.SBendtrans-117.8116.4178-1760000107.3R252 A256R252-V254 HydrophobicContact CG-CG2 4.17Å; V254-A256 PolarHBondContact O-N 2.94Å
255G74.8Confident83.8Confident83 Ų8376.3 Ų76.386%0.85641%0.411SS*.SBendtrans76.1-58.3-17800000114.2
256A72.1Confident83.4Confident63 Ų6376.8 Ų76.852%0.52141%0.412SS..  trans-72.9131.9176.100000110.8V253 V254 T258V253-A256 VanDerWaalsContact CB-O 3.32Å; V253-A256 WeakPolarHBondContact CB-O 3.49Å; V254-A256 PolarHBondContact O-N 2.94Å; A256-T258 VanDerWaalsContact C-N 3.27Å; A256-T258 PolarHBondContact O-N 3.41Å
257K83.3Confident83.5Confident183 Ų18375.5 Ų75.580%0.79641%0.407SS*.SBendtrans-80.8-6.4177.4-68.7-177.4178.4179.70114S282K257-S282 VanDerWaalsContact O-CB 3.26Å; K257-S282 WeakPolarHBondContact O-CB 3.3Å
258T89Confident83.9Confident63 Ų6377.8 Ų77.839%0.38742%0.419SS..  trans-128.4135.7-174.3-550000109.9A256 F260 A280 F281A256-T258 VanDerWaalsContact C-N 3.27Å; A256-T258 PolarHBondContact O-N 3.41Å; T258-F260 HydrophobicContact CG2-CE2 4.36Å; T258-F260 HydrophobicContact CG2-CZ 4.29Å; T258-A280 HydrophobicContact CG2-CB 4.05Å; T258-F281 CarbonylContact C-O 3.5Å; T258-F281 VanDerWaalsContact CA-O 3.29Å; T258-F281 WeakPolarHBondContact CA-O 3.44Å
259A88.5Confident84.5Confident18 Ų1879.1 Ų79.115%0.14942%0.42CS..EExtended strand (participates in β ladder)trans-116.9140.3172.300000110I226 V251 V253 F281I226-A259 HydrophobicContact CD1-CB 4.12Å; V251-A259 HydrophobicContact CG2-CB 3.8Å; V253-A259 HydrophobicContact CG1-CB 3.85Å; A259-F281 PolarHBondContact N-O 3.02Å; A259-F281 PolarHBondContact O-N 3.4Å
260F88.6Confident85.1Confident148 Ų14877 Ų7765%0.64941%0.408SS*.EExtended strand (participates in β ladder)trans-98.3137.1173.7-64.5-85.6000109.8T258 K279 A280T258-F260 HydrophobicContact CG2-CE2 4.36Å; T258-F260 HydrophobicContact CG2-CZ 4.29Å; F260-K279 WeakPolarHBondContact CA-O 3.26Å; F260-A280 HydrophobicContact CD1-CB 4.14Å; F260-A280 HydrophobicContact CE1-CB 3.78Å
261S82Confident85.4Confident11 Ų1177.1 Ų77.18%0.07741%0.409CS..  trans-97.3132.7179.7-164.20000111.7R228 A263 K279 F281R228-S261 PolarHBondContact NH1-OG 3.05Å; S261-A263 VanDerWaalsContact C-N 3.33Å; S261-A263 VanDerWaalsContact OG-CB 3.3Å; S261-A263 WeakPolarHBondContact OG-CB 3.41Å; S261-A263 PolarHBondContact OG-N 2.85Å; S261-K279 PolarHBondContact N-O 3.2Å; S261-K279 WeakPolarHBondContact O-CB 3.38Å; S261-K279 WeakPolarHBondContact O-CD 3.23Å; S261-F281 VanDerWaalsContact CB-CE2 3.45Å
262E78.6Confident85.7Confident190 Ų19075.8 Ų75.889%0.88840%0.401SS*.  trans-85.1-9.7166.5-67177177.200112.4E264E262-E264 PolarHBondContact O-N 2.74Å
263A73.7Confident86.1Confident29 Ų2968.9 Ų68.924%0.2438%0.375CS..  trans-55.5129.1-176.500000111.7S261 L266 K279S261-A263 VanDerWaalsContact C-N 3.33Å; S261-A263 VanDerWaalsContact OG-CB 3.3Å; S261-A263 WeakPolarHBondContact OG-CB 3.41Å; S261-A263 PolarHBondContact OG-N 2.85Å; A263-L266 HydrophobicContact CB-CD2 4.28Å; A263-K279 PolarHBondContact O-NZ 2.84Å
264E72Confident86.5Confident180 Ų18068.7 Ų68.784%0.84137%0.373SS*.SBendtrans-69.8-42177.3-67-173.8159.600111.9E262E262-E264 PolarHBondContact O-N 2.74Å
265K80.9Confident87.4Confident162 Ų16263.4 Ų63.470%0.70434%0.341SS*.  trans-107.8124.3-176.8-67.9178.1-1771720110.5
266L87Confident88.3Confident37 Ų3761.3 Ų61.319%0.19431%0.309CS..  trans-117.5150.9175.7-66.3173.2000110.2A263 I268 T271 K279 F281A263-L266 HydrophobicContact CB-CD2 4.28Å; L266-I268 VanDerWaalsContact C-N 3.31Å; L266-I268 PolarHBondContact O-N 3.09Å; L266-T271 HydrophobicContact CD1-CG2 4.37Å; L266-K279 HydrophobicContact CD1-CG 4.3Å; L266-F281 HydrophobicContact CD1-CE2 4.43Å; L266-F281 HydrophobicContact CD1-CZ 3.86Å; L266-F281 HydrophobicContact CD2-CE2 4.39Å; L266-F281 HydrophobicContact CD2-CZ 3.76Å; L266-F281 HydrophobicContact CG-CZ 4.45Å
267P92.6Very high89.3Confident27 Ų2763 Ų6318%0.17531%0.309CS..  trans-72.387.3174.432.3-35.8000109.6D229 K269 T270 T271D229-P267 WeakPolarHBondContact OD1-CG 3.34Å; P267-K269 PolarHBondContact O-N 2.89Å; P267-T270 WeakPolarHBondContact CB-OG1 3.15Å; P267-T270 WeakPolarHBondContact CG-OG1 3.33Å; P267-T270 PolarHBondContact O-N 2.88Å; P267-T270 PolarHBondContact O-OG1 2.85Å; P267-T271 PolarHBondContact O-N 2.74Å; P267-T271 PolarHBondContact O-OG1 3.05Å
268I94.5Very high89.8Confident51 Ų5157.6 Ų57.626%0.26229%0.293SS..THydrogen-bonded Turntrans-48.8-42.1-169.6-59.5177000112.5L266 T270 L276 L321 V322L266-I268 VanDerWaalsContact C-N 3.31Å; L266-I268 PolarHBondContact O-N 3.09Å; I268-T270 VanDerWaalsContact C-N 3.33Å; I268-T270 PolarHBondContact O-N 2.99Å; I268-L276 HydrophobicContact CG2-CD2 4.34Å; I268-L321 HydrophobicContact CG2-CD2 4.23Å; I268-V322 HydrophobicContact CG2-CG2 3.78Å
269K96.6Very high90Very high45 Ų4558 Ų5820%0.19629%0.29CS..THydrogen-bonded Turntrans-68.1-26.9-175.7-58.6-178.9-172.3-172.20114P267 E303 P304 Y305 I309 W317 L321P267-K269 PolarHBondContact O-N 2.89Å; K269-E303 VanDerWaalsContact NZ-CG 3.27Å; K269-E303 IonicContact NZ-OE1 3.95Å; K269-E303 PolarHBondContact NZ-OE1 2.8Å; K269-P304 HydrophobicContact CB-CB 4.36Å; K269-P304 HydrophobicContact CD-CB 4.49Å; K269-Y305 HydrophobicContact CB-CD2 4.25Å; K269-Y305 WeakPolarHBondContact O-CE2 3.22Å; K269-I309 HydrophobicContact CD-CD1 4.29Å; K269-W317 HydrophobicContact CG-CZ3 4.45Å; K269-L321 HydrophobicContact CG-CD2 4.17Å
270T97.1Very high90.3Very high4 Ų457.8 Ų57.83%0.02529%0.287CS..THydrogen-bonded Turntrans-108.2-12.6-176.751.60000112.4I230 A231 P267 I268 W288 A289 I292I230-T270 WeakPolarHBondContact O-CG2 3.47Å; A231-T270 HydrophobicContact CB-CG2 4.12Å; P267-T270 WeakPolarHBondContact CB-OG1 3.15Å; P267-T270 WeakPolarHBondContact CG-OG1 3.33Å; P267-T270 PolarHBondContact O-N 2.88Å; P267-T270 PolarHBondContact O-OG1 2.85Å; I268-T270 VanDerWaalsContact C-N 3.33Å; I268-T270 PolarHBondContact O-N 2.99Å; T270-W288 VanDerWaalsContact O-CD1 3.31Å; T270-A289 WeakPolarHBondContact O-CB 3.49Å; T270-I292 HydrophobicContact CG2-CB 4.32Å; T270-I292 HydrophobicContact CG2-CG2 3.81Å
271T96.8Very high90.6Very high5 Ų550.9 Ų50.93%0.03126%0.257CS..SBendtrans-73.6134.5-179.5-55.40000110.8L266 P267 L276 F281 W288L266-T271 HydrophobicContact CD1-CG2 4.37Å; P267-T271 PolarHBondContact O-N 2.74Å; P267-T271 PolarHBondContact O-OG1 3.05Å; T271-L276 HydrophobicContact CG2-CD2 3.85Å; T271-L276 HydrophobicContact CG2-CG 3.82Å; T271-F281 HydrophobicContact CG2-CE1 4.07Å; T271-F281 HydrophobicContact CG2-CZ 4.2Å; T271-W288 PolarHBondContact O-NE1 2.89Å
272A97.5Very high91.3Very high1 Ų151 Ų511%0.00826%0.258CS..  trans-70.2157.6177.900000112.3E274 G275 L276 W288A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 VanDerWaalsContact CB-OE1 3.3Å; A272-E274 WeakPolarHBondContact CB-OE1 3.48Å; A272-E274 WeakPolarHBondContact CB-OE2 3.49Å; A272-E274 PolarHBondContact O-N 2.82Å; A272-G275 WeakPolarHBondContact O-CA 3.37Å; A272-G275 PolarHBondContact O-N 2.81Å; A272-L276 WeakPolarHBondContact O-CG 3.08Å; A272-L276 PolarHBondContact O-N 2.91Å; A272-W288 HydrophobicContact CB-CB 3.73Å; A272-W288 HydrophobicContact CB-CD2 4.11Å; A272-W288 HydrophobicContact CB-CG 3.67Å
273P97.4Very high92.1Very high3 Ų345.2 Ų45.22%0.01923%0.231CC..Hα-helixtrans-49.9-46.3180-3137.2000114.5G275 L276 I277 W288 I325 L326P273-G275 VanDerWaalsContact C-N 3.32Å; P273-G275 PolarHBondContact O-N 3.25Å; P273-L276 PolarHBondContact O-N 2.72Å; P273-I277 WeakPolarHBondContact O-CD1 3.37Å; P273-I277 VanDerWaalsContact O-CG1 3.24Å; P273-I277 WeakPolarHBondContact O-CG1 3.48Å; P273-I277 PolarHBondContact O-N 3.07Å; P273-W288 VanDerWaalsContact CD-CZ3 3.46Å; P273-W288 HydrophobicContact CG-CE3 4.23Å; P273-W288 HydrophobicContact CG-CH2 3.6Å; P273-W288 HydrophobicContact CG-CZ2 4.18Å; P273-W288 HydrophobicContact CG-CZ3 3.63Å; P273-I325 HydrophobicContact CG-CG2 4.22Å; P273-L326 HydrophobicContact CB-CD2 3.81Å
274E96.4Very high93.3Very high29 Ų2945.2 Ų45.214%0.13623%0.226CC..Hα-helixtrans-65.5-33.7177.767.8-77.9-172.800112.8A272 L276 C278 K279 A280 P353 R356A272-E274 VanDerWaalsContact C-N 3.32Å; A272-E274 VanDerWaalsContact CB-OE1 3.3Å; A272-E274 WeakPolarHBondContact CB-OE1 3.48Å; A272-E274 WeakPolarHBondContact CB-OE2 3.49Å; A272-E274 PolarHBondContact O-N 2.82Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-C278 PolarHBondContact O-N 2.96Å; E274-C278 PolarHBondContact O-SG 3.4Å; E274-K279 PolarHBondContact O-N 2.85Å; E274-A280 PolarHBondContact O-N 2.95Å; E274-P353 HydrophobicContact CG-CG 4.16Å; E274-R356 IonicContact OE1-CZ 2.68Å; E274-R356 IonicContact OE1-NH1 2.81Å; E274-R356 PolarHBondContact OE1-NH1 3.14Å; E274-R356 IonicContact OE1-NH2 3.55Å; E274-R356 PolarHBondContact OE1-NH2 3.44Å; E274-R356 IonicContact OE2-CZ 2.64Å; E274-R356 IonicContact OE2-NH1 3.5Å; E274-R356 PolarHBondContact OE2-NH1 2.93Å; E274-R356 IonicContact OE2-NH2 3.47Å; E274-R356 PolarHBondContact OE2-NH2 3.48Å
275G95.8Very high94.5Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-70.7-31.5173.500000112.6A272 P273 K279 A280A272-G275 WeakPolarHBondContact O-CA 3.37Å; A272-G275 PolarHBondContact O-N 2.81Å; P273-G275 VanDerWaalsContact C-N 3.32Å; P273-G275 PolarHBondContact O-N 3.25Å; G275-K279 WeakPolarHBondContact O-CA 3.47Å; G275-K279 PolarHBondContact O-N 3.23Å; G275-A280 WeakPolarHBondContact CA-O 3.14Å; G275-A280 PolarHBondContact N-O 2.82Å
276L94.3Very high95.3Very high38 Ų3829.3 Ų29.320%0.19915%0.154CC..Hα-helixtrans-76-36.9175.6-66.8168.3000112.3I268 T271 A272 P273 E274 V322I268-L276 HydrophobicContact CG2-CD2 4.34Å; T271-L276 HydrophobicContact CG2-CD2 3.85Å; T271-L276 HydrophobicContact CG2-CG 3.82Å; A272-L276 WeakPolarHBondContact O-CG 3.08Å; A272-L276 PolarHBondContact O-N 2.91Å; P273-L276 PolarHBondContact O-N 2.72Å; E274-L276 VanDerWaalsContact C-N 3.35Å; L276-V322 HydrophobicContact CB-CG1 4.31Å; L276-V322 HydrophobicContact CD1-CG1 4.34Å; L276-V322 HydrophobicContact CD1-CG2 4.09Å; L276-V322 HydrophobicContact CD2-CG2 4.02Å; L276-V322 HydrophobicContact CG-CG2 4.49Å
277I93.4Very high95.9Very high100 Ų10027.6 Ų27.651%0.51315%0.145SC..Hα-helixtrans-78.3-53.2-176.9-67.2162.7000111.5P273 L326P273-I277 WeakPolarHBondContact O-CD1 3.37Å; P273-I277 VanDerWaalsContact O-CG1 3.24Å; P273-I277 WeakPolarHBondContact O-CG1 3.48Å; P273-I277 PolarHBondContact O-N 3.07Å; I277-L326 HydrophobicContact CD1-CD1 4.31Å; I277-L326 HydrophobicContact CD1-CD2 3.71Å; I277-L326 HydrophobicContact CG1-CD1 4.02Å; I277-L326 HydrophobicContact CG1-CD2 4.05Å
278C92.7Very high96.2Very high68 Ų6826.3 Ų26.346%0.45914%0.137SC..Hα-helixtrans-130.816.6-169.760.90000113.3E274 A280E274-C278 PolarHBondContact O-N 2.96Å; E274-C278 PolarHBondContact O-SG 3.4Å; C278-A280 PolarHBondContact O-N 2.84Å
279K93.4Very high96.4Very high73 Ų7324 Ų2432%0.31713%0.126SC..  trans52.530.2-179.7-56.6-170.5-176.4-175.70113.2F260 S261 A263 L266 E274 G275 F281F260-K279 WeakPolarHBondContact CA-O 3.26Å; S261-K279 PolarHBondContact N-O 3.2Å; S261-K279 WeakPolarHBondContact O-CB 3.38Å; S261-K279 WeakPolarHBondContact O-CD 3.23Å; A263-K279 PolarHBondContact O-NZ 2.84Å; L266-K279 HydrophobicContact CD1-CG 4.3Å; E274-K279 PolarHBondContact O-N 2.85Å; G275-K279 WeakPolarHBondContact O-CA 3.47Å; G275-K279 PolarHBondContact O-N 3.23Å; K279-F281 HydrophobicContact CB-CE2 4.25Å; K279-F281 WeakPolarHBondContact O-CD2 3.38Å; K279-F281 VanDerWaalsContact O-CE2 3.27Å; K279-F281 WeakPolarHBondContact O-CE2 2.95Å
280A94.7Very high96.5Very high12 Ų1221.9 Ų21.910%0.09912%0.117CC..EExtended strand (participates in β ladder)trans-86129.2175.100000110.3T258 F260 E274 G275 C278T258-A280 HydrophobicContact CG2-CB 4.05Å; F260-A280 HydrophobicContact CD1-CB 4.14Å; F260-A280 HydrophobicContact CE1-CB 3.78Å; E274-A280 PolarHBondContact O-N 2.95Å; G275-A280 WeakPolarHBondContact CA-O 3.14Å; G275-A280 PolarHBondContact N-O 2.82Å; C278-A280 PolarHBondContact O-N 2.84Å
281F95.4Very high96.5Very high3 Ų321.7 Ų21.71%0.01312%0.116CC..EExtended strand (participates in β ladder)trans-128.7142.4-178.3-65-90.7000110.9I226 R228 T258 A259 S261 L266 T271 K279 S285I226-F281 WeakPolarHBondContact CD1-O 3.46Å; I226-F281 HydrophobicContact CG2-CB 4.37Å; R228-F281 HydrophobicContact CB-CD1 4.14Å; R228-F281 HydrophobicContact CB-CE1 4.37Å; R228-F281 HydrophobicContact CG-CB 4.03Å; R228-F281 HydrophobicContact CG-CD1 3.71Å; R228-F281 HydrophobicContact CG-CE1 4.39Å; R228-F281 HydrophobicContact CG-CG 3.92Å; T258-F281 CarbonylContact C-O 3.5Å; T258-F281 VanDerWaalsContact CA-O 3.29Å; T258-F281 WeakPolarHBondContact CA-O 3.44Å; A259-F281 PolarHBondContact N-O 3.02Å; A259-F281 PolarHBondContact O-N 3.4Å; S261-F281 VanDerWaalsContact CB-CE2 3.45Å; L266-F281 HydrophobicContact CD1-CE2 4.43Å; L266-F281 HydrophobicContact CD1-CZ 3.86Å; L266-F281 HydrophobicContact CD2-CE2 4.39Å; L266-F281 HydrophobicContact CD2-CZ 3.76Å; L266-F281 HydrophobicContact CG-CZ 4.45Å; T271-F281 HydrophobicContact CG2-CE1 4.07Å; T271-F281 HydrophobicContact CG2-CZ 4.2Å; K279-F281 HydrophobicContact CB-CE2 4.25Å; K279-F281 WeakPolarHBondContact O-CD2 3.38Å; K279-F281 VanDerWaalsContact O-CE2 3.27Å; K279-F281 WeakPolarHBondContact O-CE2 2.95Å; F281-S285 WeakPolarHBondContact CA-OG 3.35Å
282S96.4Very high96.6Very high15 Ų1521.5 Ų21.511%0.10511%0.114CC..  trans-151.6-179.617764.20000109.7K257 K284 S285 D286K257-S282 VanDerWaalsContact O-CB 3.26Å; K257-S282 WeakPolarHBondContact O-CB 3.3Å; S282-K284 PolarHBondContact O-N 2.92Å; S282-K284 WeakPolarHBondContact OG-CB 3.32Å; S282-K284 PolarHBondContact OG-N 2.88Å; S282-K284 VanDerWaalsContact OG-N 3.12Å; S282-S285 PolarHBondContact N-OG 3.27Å; S282-S285 PolarHBondContact O-N 3.41Å; S282-S285 VanDerWaalsContact O-N 3.1Å; S282-S285 PolarHBondContact O-OG 2.77Å; S282-D286 PolarHBondContact O-N 2.94Å
283E96.4Very high96.7Very high68 Ų6821.4 Ų21.432%0.31811%0.114SC..Hα-helixtrans-52.6-27.2166.462.1168.7-134.300112.6V221 D286 M287V221-E283 HydrophobicContact CG1-CB 4.28Å; V221-E283 WeakPolarHBondContact CG1-OE2 3.4Å; V221-E283 HydrophobicContact CG2-CB 3.65Å; E283-D286 PolarHBondContact O-N 3.03Å; E283-M287 PolarHBondContact O-N 3.45Å
284K97.8Very high96.7Very high29 Ų2921.3 Ų21.313%0.12611%0.113CC..Hα-helixtrans-78.8-29.9-178.9-59.5-61-174.8166.50112.5S282 D286 M287 W288 P353 R356 P357S282-K284 PolarHBondContact O-N 2.92Å; S282-K284 WeakPolarHBondContact OG-CB 3.32Å; S282-K284 PolarHBondContact OG-N 2.88Å; S282-K284 VanDerWaalsContact OG-N 3.12Å; K284-D286 VanDerWaalsContact C-N 3.32Å; K284-M287 PolarHBondContact O-N 2.89Å; K284-W288 PolarHBondContact O-N 3.18Å; K284-W288 VanDerWaalsContact O-N 3.14Å; K284-P353 HydrophobicContact CB-CB 3.75Å; K284-P353 WeakPolarHBondContact CD-O 3.49Å; K284-P353 HydrophobicContact CG-CB 4.22Å; K284-R356 HydrophobicContact CD-CB 4.32Å; K284-R356 PolarHBondContact NZ-O 3.06Å; K284-R356 WeakPolarHBondContact O-CD 3.49Å; K284-R356 PolarHBondContact O-NH1 3.28Å; K284-P357 PolarHBondContact NZ-O 3.42Å
285S97.8Very high96.8Very high4 Ų421.2 Ų21.23%0.02811%0.111CC..Hα-helixtrans-69.6-35.5169.760.70000110.8F281 S282 W288 A289F281-S285 WeakPolarHBondContact CA-OG 3.35Å; S282-S285 PolarHBondContact N-OG 3.27Å; S282-S285 PolarHBondContact O-N 3.41Å; S282-S285 VanDerWaalsContact O-N 3.1Å; S282-S285 PolarHBondContact O-OG 2.77Å; S285-W288 WeakPolarHBondContact O-CB 3.5Å; S285-W288 PolarHBondContact O-N 3.49Å; S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.16Å
286D98Very high97Very high3 Ų321.3 Ų21.32%0.01611%0.112CC..Hα-helixtrans-67.3-36.2172.3-83.80.8000112I226 H227 R228 I230 S282 E283 K284 W288 A289 F290 F359I226-D286 WeakPolarHBondContact CG2-OD2 3.45Å; H227-D286 WeakPolarHBondContact CB-OD2 3.49Å; H227-D286 PolarHBondContact N-OD2 3.39Å; R228-D286 WeakPolarHBondContact CA-OD1 3.43Å; R228-D286 PolarHBondContact N-OD1 3.11Å; I230-D286 HydrophobicContact CD1-CB 3.42Å; I230-D286 VanDerWaalsContact CD1-CB 3.42Å; I230-D286 VanDerWaalsContact CD1-CG 3.44Å; I230-D286 WeakPolarHBondContact CD1-O 3.43Å; S282-D286 PolarHBondContact O-N 2.94Å; E283-D286 PolarHBondContact O-N 3.03Å; K284-D286 VanDerWaalsContact C-N 3.32Å; D286-W288 VanDerWaalsContact C-N 3.32Å; D286-W288 PolarHBondContact O-N 3.07Å; D286-A289 PolarHBondContact O-N 3.05Å; D286-F290 WeakPolarHBondContact O-CB 3.38Å; D286-F290 PolarHBondContact O-N 3.25Å; D286-F359 HydrophobicContact CB-CE2 4.37Å; D286-F359 HydrophobicContact CB-CZ 4.14Å
287M98.5Very high97.2Very high1 Ų119.5 Ų19.51%0.00510%0.102CC..Hα-helixtrans-62-38172.9-178.256.368.200112.5E283 K284 F290 G291 C348 R356 P357 F359 A362E283-M287 PolarHBondContact O-N 3.45Å; K284-M287 PolarHBondContact O-N 2.89Å; M287-F290 WeakPolarHBondContact O-CB 3.43Å; M287-F290 PolarHBondContact O-N 3.11Å; M287-F290 HydrophobicContact SD-CD1 3.87Å; M287-G291 PolarHBondContact O-N 2.94Å; M287-C348 HydrophobicContact CG-CB 4.5Å; M287-R356 HydrophobicContact CG-CB 4.14Å; M287-P357 HydrophobicContact CE-CG 4.36Å; M287-P357 HydrophobicContact CG-CG 4.12Å; M287-P357 HydrophobicContact SD-CG 3.93Å; M287-F359 HydrophobicContact CB-CZ 4.31Å; M287-F359 HydrophobicContact CE-CB 4.23Å; M287-F359 HydrophobicContact CE-CD1 3.34Å; M287-F359 HydrophobicContact CE-CD2 4.03Å; M287-F359 HydrophobicContact CE-CE1 3.51Å; M287-F359 HydrophobicContact CE-CE2 4.19Å; M287-F359 HydrophobicContact CE-CG 3.61Å; M287-F359 HydrophobicContact CE-CZ 3.95Å; M287-F359 HydrophobicContact SD-CD1 4.38Å; M287-F359 HydrophobicContact SD-CE1 4.1Å; M287-A362 HydrophobicContact CE-CB 4.16Å
288W98.7Very high97.4Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-61.5-49.8172.8171-77.6000111.3T270 T271 A272 P273 K284 S285 D286 F290 G291 I292 I325 R330 W349T270-W288 VanDerWaalsContact O-CD1 3.31Å; T271-W288 PolarHBondContact O-NE1 2.89Å; A272-W288 HydrophobicContact CB-CB 3.73Å; A272-W288 HydrophobicContact CB-CD2 4.11Å; A272-W288 HydrophobicContact CB-CG 3.67Å; P273-W288 VanDerWaalsContact CD-CZ3 3.46Å; P273-W288 HydrophobicContact CG-CE3 4.23Å; P273-W288 HydrophobicContact CG-CH2 3.6Å; P273-W288 HydrophobicContact CG-CZ2 4.18Å; P273-W288 HydrophobicContact CG-CZ3 3.63Å; K284-W288 PolarHBondContact O-N 3.18Å; K284-W288 VanDerWaalsContact O-N 3.14Å; S285-W288 WeakPolarHBondContact O-CB 3.5Å; S285-W288 PolarHBondContact O-N 3.49Å; D286-W288 VanDerWaalsContact C-N 3.32Å; D286-W288 PolarHBondContact O-N 3.07Å; W288-F290 VanDerWaalsContact C-N 3.26Å; W288-F290 PolarHBondContact O-N 3.18Å; W288-G291 WeakPolarHBondContact O-CA 3.22Å; W288-G291 PolarHBondContact O-N 3.24Å; W288-I292 PolarHBondContact O-N 2.93Å; W288-I292 VanDerWaalsContact O-N 3.16Å; W288-I325 HydrophobicContact CH2-CG2 3.91Å; W288-I325 HydrophobicContact CZ2-CG2 3.83Å; W288-R330 VanDerWaalsContact CH2-CZ 3.46Å; W288-W349 AromaticContact CD2-CD1 3.98Å; W288-W349 HydrophobicContact CE3-CB 4.32Å; W288-W349 HydrophobicContact CH2-CB 4.43Å; W288-W349 HydrophobicContact CZ3-CB 4.06Å; W288-W349 WeakPolarHBondContact CZ3-O 3.47Å
289A98.6Very high97.6Very high4 Ų412.7 Ų12.73%0.0336%0.063CC..Hα-helixtrans-62.9-34.5178.900000111.8I230 T270 S285 D286 G291 I292 L293I230-A289 HydrophobicContact CB-CB 3.76Å; I230-A289 HydrophobicContact CD1-CB 4.43Å; I230-A289 HydrophobicContact CG2-CB 4.44Å; T270-A289 WeakPolarHBondContact O-CB 3.49Å; S285-A289 PolarHBondContact O-N 2.78Å; S285-A289 VanDerWaalsContact O-N 3.16Å; D286-A289 PolarHBondContact O-N 3.05Å; A289-G291 VanDerWaalsContact C-N 3.35Å; A289-G291 PolarHBondContact O-N 2.94Å; A289-I292 WeakPolarHBondContact O-CB 3.47Å; A289-I292 PolarHBondContact O-N 2.89Å; A289-I292 VanDerWaalsContact O-N 3.14Å; A289-L293 PolarHBondContact O-N 2.85Å
290F98.8Very high97.8Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-60.9-40.3170.1177.2-112.6000112.3C210 V213 L217 D286 M287 W288 I292 L293 M294 F359 A362 L366C210-F290 HydrophobicContact CB-CZ 4.45Å; C210-F290 WeakPolarHBondContact O-CE2 3.31Å; C210-F290 WeakPolarHBondContact O-CZ 3.37Å; V213-F290 HydrophobicContact CB-CE2 4.11Å; V213-F290 HydrophobicContact CG1-CD2 3.86Å; V213-F290 HydrophobicContact CG1-CE2 3.86Å; L217-F290 HydrophobicContact CD1-CB 3.93Å; L217-F290 HydrophobicContact CD1-CD2 3.71Å; L217-F290 HydrophobicContact CD1-CG 4.04Å; D286-F290 WeakPolarHBondContact O-CB 3.38Å; D286-F290 PolarHBondContact O-N 3.25Å; M287-F290 WeakPolarHBondContact O-CB 3.43Å; M287-F290 PolarHBondContact O-N 3.11Å; M287-F290 HydrophobicContact SD-CD1 3.87Å; W288-F290 VanDerWaalsContact C-N 3.26Å; W288-F290 PolarHBondContact O-N 3.18Å; F290-I292 VanDerWaalsContact C-N 3.3Å; F290-I292 PolarHBondContact O-N 3.43Å; F290-L293 HydrophobicContact CD2-CD2 4.4Å; F290-L293 HydrophobicContact CE2-CD2 4.4Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 2.9Å; F290-M294 HydrophobicContact CD1-CG 4.34Å; F290-M294 HydrophobicContact CD1-SD 3.94Å; F290-M294 HydrophobicContact CD2-CG 4.5Å; F290-M294 HydrophobicContact CE1-CG 3.92Å; F290-M294 HydrophobicContact CE1-SD 3.39Å; F290-M294 WeakPolarHBondContact CE1-SD 3.35Å; F290-M294 HydrophobicContact CE2-CG 4.09Å; F290-M294 HydrophobicContact CZ-CG 3.77Å; F290-M294 HydrophobicContact CZ-SD 3.77Å; F290-M294 WeakPolarHBondContact O-CG 3.44Å; F290-M294 PolarHBondContact O-N 2.92Å; F290-F359 HydrophobicContact CB-CE1 3.96Å; F290-F359 HydrophobicContact CB-CZ 4.49Å; F290-F359 HydrophobicContact CD1-CE1 4.19Å; F290-F359 HydrophobicContact CG-CE1 4.01Å; F290-A362 HydrophobicContact CE1-CB 4.19Å; F290-L366 HydrophobicContact CE1-CD1 4.35Å; F290-L366 HydrophobicContact CZ-CD1 3.91Å
291G98.7Very high97.8Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-59.8-38.3171.700000113.1M287 W288 A289 M294 W295 W349M287-G291 PolarHBondContact O-N 2.94Å; W288-G291 WeakPolarHBondContact O-CA 3.22Å; W288-G291 PolarHBondContact O-N 3.24Å; A289-G291 VanDerWaalsContact C-N 3.35Å; A289-G291 PolarHBondContact O-N 2.94Å; G291-M294 PolarHBondContact O-N 2.82Å; G291-W295 PolarHBondContact O-N 3.06Å; G291-W295 VanDerWaalsContact O-N 3.11Å; G291-W349 WeakPolarHBondContact O-CZ2 3.32Å
292I98.6Very high97.9Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-65.2-44.1173.2-56.3-67.6000110.8T270 W288 A289 F290 M294 W295 E296 P304 Y305 M331 W349T270-I292 HydrophobicContact CG2-CB 4.32Å; T270-I292 HydrophobicContact CG2-CG2 3.81Å; W288-I292 PolarHBondContact O-N 2.93Å; W288-I292 VanDerWaalsContact O-N 3.16Å; A289-I292 WeakPolarHBondContact O-CB 3.47Å; A289-I292 PolarHBondContact O-N 2.89Å; A289-I292 VanDerWaalsContact O-N 3.14Å; F290-I292 VanDerWaalsContact C-N 3.3Å; F290-I292 PolarHBondContact O-N 3.43Å; I292-M294 PolarHBondContact O-N 3.39Å; I292-W295 WeakPolarHBondContact O-CB 3.24Å; I292-W295 PolarHBondContact O-N 2.99Å; I292-W295 VanDerWaalsContact O-N 3.16Å; I292-E296 PolarHBondContact O-N 3.26Å; I292-P304 HydrophobicContact CG2-CB 3.98Å; I292-P304 HydrophobicContact CG2-CG 3.76Å; I292-Y305 HydrophobicContact CD1-CE2 3.91Å; I292-Y305 WeakPolarHBondContact CD1-OH 3.42Å; I292-M331 HydrophobicContact CD1-CE 3.52Å; I292-W349 HydrophobicContact CD1-CZ2 3.8Å
293L98.6Very high97.9Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-61-43176178.4155.3000111.9V213 I230 A289 F290 W295 E296 V297V213-L293 HydrophobicContact CB-CD2 4.35Å; V213-L293 HydrophobicContact CG1-CD1 3.82Å; V213-L293 HydrophobicContact CG1-CD2 4.06Å; V213-L293 HydrophobicContact CG2-CD1 4.46Å; V213-L293 HydrophobicContact CG2-CD2 4.24Å; I230-L293 HydrophobicContact CG2-CB 4.25Å; I230-L293 HydrophobicContact CG2-CD1 3.72Å; A289-L293 PolarHBondContact O-N 2.85Å; F290-L293 HydrophobicContact CD2-CD2 4.4Å; F290-L293 HydrophobicContact CE2-CD2 4.4Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 2.9Å; L293-W295 VanDerWaalsContact C-N 3.27Å; L293-W295 PolarHBondContact O-N 3.4Å; L293-E296 WeakPolarHBondContact O-CB 3.11Å; L293-E296 PolarHBondContact O-N 2.68Å; L293-E296 VanDerWaalsContact O-N 3.16Å; L293-V297 HydrophobicContact CD2-CG2 3.95Å; L293-V297 WeakPolarHBondContact O-CG2 3.07Å; L293-V297 PolarHBondContact O-N 3.19Å
294M98.6Very high98Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-58.4-43175.2-71.1178.968.800110.9C210 F290 G291 I292 V297 L298 V341 L344 I345 L366C210-M294 HydrophobicContact CB-CG 4.22Å; F290-M294 HydrophobicContact CD1-CG 4.34Å; F290-M294 HydrophobicContact CD1-SD 3.94Å; F290-M294 HydrophobicContact CD2-CG 4.5Å; F290-M294 HydrophobicContact CE1-CG 3.92Å; F290-M294 HydrophobicContact CE1-SD 3.39Å; F290-M294 WeakPolarHBondContact CE1-SD 3.35Å; F290-M294 HydrophobicContact CE2-CG 4.09Å; F290-M294 HydrophobicContact CZ-CG 3.77Å; F290-M294 HydrophobicContact CZ-SD 3.77Å; F290-M294 WeakPolarHBondContact O-CG 3.44Å; F290-M294 PolarHBondContact O-N 2.92Å; G291-M294 PolarHBondContact O-N 2.82Å; I292-M294 PolarHBondContact O-N 3.39Å; M294-V297 PolarHBondContact O-N 2.76Å; M294-L298 WeakPolarHBondContact O-CB 3.28Å; M294-L298 WeakPolarHBondContact O-CD1 3.39Å; M294-L298 VanDerWaalsContact O-CG 3.22Å; M294-L298 WeakPolarHBondContact O-CG 3.43Å; M294-L298 PolarHBondContact O-N 3.5Å; M294-V341 HydrophobicContact CE-CG1 3.58Å; M294-L344 HydrophobicContact CE-CD2 3.84Å; M294-L344 HydrophobicContact CE-CG 4.16Å; M294-L344 HydrophobicContact SD-CD2 4.1Å; M294-L344 HydrophobicContact SD-CG 4.23Å; M294-I345 HydrophobicContact CB-CD1 4.05Å; M294-I345 HydrophobicContact CB-CG1 3.91Å; M294-I345 HydrophobicContact CE-CD1 4.24Å; M294-I345 HydrophobicContact CE-CG1 3.68Å; M294-I345 HydrophobicContact SD-CG1 4.04Å; M294-L366 HydrophobicContact CE-CD2 4.01Å
295W98.6Very high97.9Very high28 Ų2811 Ų1111%0.1066%0.061CC..Hα-helixtrans-62.3-45.2174.4-174.596.4000111.7G291 I292 L293 V297 L298 S299 M331 P332 W349G291-W295 PolarHBondContact O-N 3.06Å; G291-W295 VanDerWaalsContact O-N 3.11Å; I292-W295 WeakPolarHBondContact O-CB 3.24Å; I292-W295 PolarHBondContact O-N 2.99Å; I292-W295 VanDerWaalsContact O-N 3.16Å; L293-W295 VanDerWaalsContact C-N 3.27Å; L293-W295 PolarHBondContact O-N 3.4Å; W295-V297 VanDerWaalsContact C-N 3.32Å; W295-V297 PolarHBondContact O-N 3.41Å; W295-L298 PolarHBondContact O-N 3.02Å; W295-S299 VanDerWaalsContact CE2-OG 3.31Å; W295-S299 WeakPolarHBondContact CZ2-OG 3.4Å; W295-S299 VanDerWaalsContact O-CB 3.25Å; W295-S299 WeakPolarHBondContact O-CB 3.5Å; W295-S299 PolarHBondContact O-N 3.26Å; W295-S299 PolarHBondContact O-OG 3.19Å; W295-M331 HydrophobicContact CB-CE 4.39Å; W295-M331 HydrophobicContact CD2-CE 3.99Å; W295-M331 HydrophobicContact CD2-SD 3.84Å; W295-M331 HydrophobicContact CE3-CE 4.28Å; W295-M331 HydrophobicContact CE3-SD 4.04Å; W295-M331 HydrophobicContact CG-CE 4.02Å; W295-M331 HydrophobicContact CG-SD 4.4Å; W295-M331 HydrophobicContact CH2-SD 4.24Å; W295-M331 HydrophobicContact CZ2-SD 4.04Å; W295-M331 HydrophobicContact CZ3-SD 4.25Å; W295-P332 PolarHBondContact NE1-O 2.79Å; W295-W349 HydrophobicContact CB-CH2 3.95Å; W295-W349 HydrophobicContact CB-CZ2 3.95Å; W295-W349 AromaticContact CD1-CH2 3.79Å; W295-W349 HydrophobicContact CG-CH2 4.06Å; W295-W349 HydrophobicContact CG-CZ2 4.47Å
296E98.5Very high97.8Very high2 Ų216.2 Ų16.21%0.0099%0.085CC..Hα-helixtrans-57-45.8175.5-71-176.410500111.2K191 A232 I292 L293 S299 N300 G301 P304K191-E296 IonicContact NZ-OE1 2.94Å; A232-E296 HydrophobicContact CB-CB 3.96Å; A232-E296 PolarHBondContact N-OE2 3.5Å; I292-E296 PolarHBondContact O-N 3.26Å; L293-E296 WeakPolarHBondContact O-CB 3.11Å; L293-E296 PolarHBondContact O-N 2.68Å; L293-E296 VanDerWaalsContact O-N 3.16Å; E296-S299 CarbonylContact O-C 3.59Å; E296-S299 PolarHBondContact O-N 3.31Å; E296-N300 PolarHBondContact O-N 2.76Å; E296-G301 WeakPolarHBondContact O-CA 3.48Å; E296-G301 PolarHBondContact O-N 3.04Å; E296-P304 HydrophobicContact CG-CG 3.64Å
297V98.2Very high97.7Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-62.7-46.6179.2170.20000111.4L190 L194 K206 I209 L293 M294 W295 S299 N300L190-V297 HydrophobicContact CD2-CG2 4.27Å; L194-V297 HydrophobicContact CD1-CB 4.41Å; L194-V297 HydrophobicContact CD1-CG2 4.01Å; L194-V297 HydrophobicContact CD2-CG1 4.18Å; K206-V297 HydrophobicContact CB-CG1 3.74Å; K206-V297 WeakPolarHBondContact CD-O 3.49Å; K206-V297 HydrophobicContact CG-CG1 4.03Å; I209-V297 HydrophobicContact CB-CG1 4.34Å; I209-V297 HydrophobicContact CG2-CG1 4.01Å; I209-V297 HydrophobicContact CG2-CG2 3.81Å; L293-V297 HydrophobicContact CD2-CG2 3.95Å; L293-V297 WeakPolarHBondContact O-CG2 3.07Å; L293-V297 PolarHBondContact O-N 3.19Å; M294-V297 PolarHBondContact O-N 2.76Å; W295-V297 VanDerWaalsContact C-N 3.32Å; W295-V297 PolarHBondContact O-N 3.41Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.32Å; V297-N300 PolarHBondContact O-N 3.08Å
298L97.8Very high97.5Very high9 Ų920 Ų205%0.04711%0.11CC..Hα-helixtrans-66.2-37.5179.9-68.7168.1000112I203 K206 M294 W295 N300 P334 T337 V341 I345I203-L298 HydrophobicContact CD1-CD2 3.43Å; I203-L298 VanDerWaalsContact CD1-CD2 3.43Å; K206-L298 HydrophobicContact CB-CD2 4.36Å; K206-L298 HydrophobicContact CD-CD2 4.49Å; K206-L298 PolarHBondContact NZ-O 2.89Å; M294-L298 WeakPolarHBondContact O-CB 3.28Å; M294-L298 WeakPolarHBondContact O-CD1 3.39Å; M294-L298 VanDerWaalsContact O-CG 3.22Å; M294-L298 WeakPolarHBondContact O-CG 3.43Å; M294-L298 PolarHBondContact O-N 3.5Å; W295-L298 PolarHBondContact O-N 3.02Å; L298-N300 VanDerWaalsContact C-N 3.26Å; L298-N300 PolarHBondContact O-N 2.84Å; L298-P334 HydrophobicContact CB-CB 4.43Å; L298-P334 HydrophobicContact CB-CG 3.95Å; L298-T337 HydrophobicContact CD1-CG2 3.76Å; L298-T337 HydrophobicContact CD2-CG2 4.5Å; L298-V341 HydrophobicContact CD1-CG1 4.01Å; L298-I345 HydrophobicContact CD1-CD1 3.42Å; L298-I345 VanDerWaalsContact CD1-CD1 3.42Å
299S97.3Very high97.4Very high15 Ų1521.7 Ų21.711%0.10512%0.118CC..THydrogen-bonded Turntrans-82.316.9176.4-56.30000114.3W295 E296 V297 G301 S302 P334W295-S299 VanDerWaalsContact CE2-OG 3.31Å; W295-S299 WeakPolarHBondContact CZ2-OG 3.4Å; W295-S299 VanDerWaalsContact O-CB 3.25Å; W295-S299 WeakPolarHBondContact O-CB 3.5Å; W295-S299 PolarHBondContact O-N 3.26Å; W295-S299 PolarHBondContact O-OG 3.19Å; E296-S299 CarbonylContact O-C 3.59Å; E296-S299 PolarHBondContact O-N 3.31Å; V297-S299 VanDerWaalsContact C-N 3.34Å; V297-S299 PolarHBondContact O-N 3.32Å; S299-G301 VanDerWaalsContact C-N 3.28Å; S299-G301 PolarHBondContact O-N 3.08Å; S299-S302 PolarHBondContact O-N 3.39Å; S299-S302 PolarHBondContact O-OG 2.61Å; S299-P334 WeakPolarHBondContact OG-CG 3.46Å
300N97Very high97.2Very high52 Ų5231.5 Ų31.528%0.27816%0.155SC..THydrogen-bonded Turntrans58.433.4178.6-57-52.6000114.7L194 K195 A198 K206 E296 V297 L298L194-N300 CarbonylContact C-O 3.53Å; K195-N300 WeakPolarHBondContact CA-O 3.24Å; K195-N300 WeakPolarHBondContact CG-O 3.31Å; K195-N300 PolarHBondContact N-O 3.39Å; A198-N300 HydrophobicContact CB-CB 3.75Å; K206-N300 WeakPolarHBondContact CE-OD1 3.34Å; K206-N300 PolarHBondContact NZ-OD1 3.32Å; E296-N300 PolarHBondContact O-N 2.76Å; V297-N300 PolarHBondContact O-N 3.08Å; L298-N300 VanDerWaalsContact C-N 3.26Å; L298-N300 PolarHBondContact O-N 2.84Å
301G96.6Very high97.1Very high0 Ų039.7 Ų39.70%019%0.19CC..THydrogen-bonded Turntrans79.817.5179.300000114.6K195 E296 S299K195-G301 WeakPolarHBondContact CE-O 2.97Å; E296-G301 WeakPolarHBondContact O-CA 3.48Å; E296-G301 PolarHBondContact O-N 3.04Å; S299-G301 VanDerWaalsContact C-N 3.28Å; S299-G301 PolarHBondContact O-N 3.08Å
302S96.5Very high96.9Very high50 Ų5041 Ų4135%0.3520%0.197SC..PPolyproline II helixtrans-53.5157.9168.5-69.20000112.4S299S299-S302 PolarHBondContact O-N 3.39Å; S299-S302 PolarHBondContact O-OG 2.61Å
303E96.4Very high96.7Very high59 Ų5944.5 Ų44.528%0.27622%0.216SC..PPolyproline II helixtrans-80.7127.5-178.1-169.863.8-15700110.8K191 K269 Y305 E306K191-E303 IonicContact NZ-OE2 2.88Å; K191-E303 PolarHBondContact NZ-OE2 3.35Å; K269-E303 VanDerWaalsContact NZ-CG 3.27Å; K269-E303 IonicContact NZ-OE1 3.95Å; K269-E303 PolarHBondContact NZ-OE1 2.8Å; E303-Y305 PolarHBondContact O-N 2.9Å; E303-E306 HydrophobicContact CB-CB 4.11Å; E303-E306 HydrophobicContact CB-CG 4.46Å; E303-E306 VanDerWaalsContact O-CB 3.3Å; E303-E306 WeakPolarHBondContact O-CB 3.5Å; E303-E306 PolarHBondContact O-N 2.95Å
304P97.9Very high96.4Very high3 Ų352.6 Ų52.62%0.01925%0.251CS..THydrogen-bonded Turntrans-58.2138.3177.6-26.735.7000112.1K269 I292 E296 E306 M331K269-P304 HydrophobicContact CB-CB 4.36Å; K269-P304 HydrophobicContact CD-CB 4.49Å; I292-P304 HydrophobicContact CG2-CB 3.98Å; I292-P304 HydrophobicContact CG2-CG 3.76Å; E296-P304 HydrophobicContact CG-CG 3.64Å; P304-E306 PolarHBondContact O-N 3.37Å; P304-E306 VanDerWaalsContact O-N 3.13Å; P304-M331 HydrophobicContact CB-CE 4.17Å; P304-M331 HydrophobicContact CB-SD 4.07Å
305Y97.4Very high96.1Very high2 Ų261.7 Ų61.71%0.00829%0.291CS..THydrogen-bonded Turntrans60.114.5178.6-54.8-80.8000115.2K269 I292 E303 S307 L308 I309 L321 I325 Y329 M331K269-Y305 HydrophobicContact CB-CD2 4.25Å; K269-Y305 WeakPolarHBondContact O-CE2 3.22Å; I292-Y305 HydrophobicContact CD1-CE2 3.91Å; I292-Y305 WeakPolarHBondContact CD1-OH 3.42Å; E303-Y305 PolarHBondContact O-N 2.9Å; Y305-S307 VanDerWaalsContact C-N 3.33Å; Y305-S307 PolarHBondContact O-N 2.88Å; Y305-L308 PolarHBondContact O-N 2.9Å; Y305-L308 VanDerWaalsContact O-N 3.08Å; Y305-I309 WeakPolarHBondContact O-CB 3.32Å; Y305-I309 VanDerWaalsContact O-CG1 3.29Å; Y305-I309 WeakPolarHBondContact O-CG1 3.42Å; Y305-I309 PolarHBondContact O-N 2.88Å; Y305-L321 HydrophobicContact CD1-CD1 3.84Å; Y305-L321 HydrophobicContact CD2-CD1 4.34Å; Y305-L321 HydrophobicContact CD2-CD2 4.33Å; Y305-L321 HydrophobicContact CE1-CD1 4.49Å; Y305-L321 HydrophobicContact CG-CD1 3.75Å; Y305-L321 HydrophobicContact CG-CD2 4.39Å; Y305-I325 HydrophobicContact CE1-CD1 4.41Å; Y305-I325 HydrophobicContact CE1-CG1 4.25Å; Y305-I325 HydrophobicContact CE2-CD1 4.32Å; Y305-Y329 HydrophobicContact CD1-CD1 4.26Å; Y305-Y329 AromaticContact CD1-CE1 3.89Å; Y305-Y329 HydrophobicContact CD1-CE1 3.89Å; Y305-Y329 HydrophobicContact CE1-CD1 4.2Å; Y305-Y329 HydrophobicContact CE1-CE1 4.14Å; Y305-M331 HydrophobicContact CD1-CG 3.52Å; Y305-M331 HydrophobicContact CD1-SD 4.01Å; Y305-M331 HydrophobicContact CD2-CE 4.3Å; Y305-M331 HydrophobicContact CD2-SD 4.12Å; Y305-M331 HydrophobicContact CE1-CE 4.21Å; Y305-M331 HydrophobicContact CE1-CG 3.55Å; Y305-M331 HydrophobicContact CE1-SD 4.17Å; Y305-M331 HydrophobicContact CE2-CE 3.87Å; Y305-M331 HydrophobicContact CE2-SD 4.26Å; Y305-M331 HydrophobicContact CG-CG 4.11Å; Y305-M331 HydrophobicContact CG-SD 3.99Å; Y305-M331 PolarHBondContact N-SD 3.46Å
306E95.3Very high95.9Very high112 Ų11263.6 Ų63.652%0.52330%0.303SS..Hα-helixtrans-55-44.1-174.6-175.8170-164.100113.6E303 P304 L308 I309 R310E303-E306 HydrophobicContact CB-CB 4.11Å; E303-E306 HydrophobicContact CB-CG 4.46Å; E303-E306 VanDerWaalsContact O-CB 3.3Å; E303-E306 WeakPolarHBondContact O-CB 3.5Å; E303-E306 PolarHBondContact O-N 2.95Å; P304-E306 PolarHBondContact O-N 3.37Å; P304-E306 VanDerWaalsContact O-N 3.13Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.46Å; E306-I309 PolarHBondContact O-N 3.4Å; E306-R310 WeakPolarHBondContact O-CB 3.03Å; E306-R310 PolarHBondContact O-N 3.05Å
307S94.4Very high95.8Very high64 Ų6467.4 Ų67.445%0.44832%0.318SS..Hα-helixtrans-65.2-32.6179.859.20000113.5Y305Y305-S307 VanDerWaalsContact C-N 3.33Å; Y305-S307 PolarHBondContact O-N 2.88Å
308L95.7Very high95.6Very high20 Ų2067.9 Ų67.911%0.10532%0.323CS..Hα-helixtrans-76.4-51.3174178.261.9000109.9Y305 E306 R310 K311 L312 L321 N324 Y329Y305-L308 PolarHBondContact O-N 2.9Å; Y305-L308 VanDerWaalsContact O-N 3.08Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.46Å; L308-R310 PolarHBondContact O-N 3.28Å; L308-K311 WeakPolarHBondContact O-CA 3.3Å; L308-K311 WeakPolarHBondContact O-CB 2.97Å; L308-K311 PolarHBondContact O-N 2.83Å; L308-L312 HydrophobicContact CD1-CD2 4.22Å; L308-L312 HydrophobicContact CG-CD1 4.26Å; L308-L312 HydrophobicContact CG-CD2 4.49Å; L308-L312 HydrophobicContact CG-CG 4.43Å; L308-L312 WeakPolarHBondContact O-CG 3.21Å; L308-L312 PolarHBondContact O-N 3.04Å; L308-L321 HydrophobicContact CD2-CD1 3.76Å; L308-N324 HydrophobicContact CD2-CB 3.87Å; L308-Y329 HydrophobicContact CB-CE1 4.39Å; L308-Y329 HydrophobicContact CD2-CD1 3.71Å; L308-Y329 HydrophobicContact CD2-CE1 3.72Å; L308-Y329 HydrophobicContact CD2-CG 4.25Å
309I96.1Very high95.4Very high35 Ų3572.8 Ų72.818%0.17935%0.349CS..Hα-helixtrans-55-38.4-177.8-69.4167.8000111.5K269 Y305 E306 K311 L312 W317 L321K269-I309 HydrophobicContact CD-CD1 4.29Å; Y305-I309 WeakPolarHBondContact O-CB 3.32Å; Y305-I309 VanDerWaalsContact O-CG1 3.29Å; Y305-I309 WeakPolarHBondContact O-CG1 3.42Å; Y305-I309 PolarHBondContact O-N 2.88Å; E306-I309 PolarHBondContact O-N 3.4Å; I309-K311 PolarHBondContact O-N 2.68Å; I309-K311 VanDerWaalsContact O-N 3.12Å; I309-L312 PolarHBondContact O-N 2.94Å; I309-W317 HydrophobicContact CD1-CE3 4.04Å; I309-W317 HydrophobicContact CD1-CZ3 4.02Å; I309-W317 HydrophobicContact CG1-CE3 4.04Å; I309-W317 HydrophobicContact CG1-CZ3 4.49Å; I309-W317 HydrophobicContact CG2-CB 4.45Å; I309-W317 HydrophobicContact CG2-CD2 4.38Å; I309-W317 HydrophobicContact CG2-CE3 4.39Å; I309-W317 HydrophobicContact CG2-CG 4.42Å; I309-L321 HydrophobicContact CD1-CD2 4.2Å; I309-L321 HydrophobicContact CG1-CD2 4.35Å
310R94.6Very high95.4Very high210 Ų21075 Ų7579%0.79236%0.358SS*.THydrogen-bonded Turntrans-60.8-20.5177-168.7175.568.3-178.92.6114E306 L308E306-R310 WeakPolarHBondContact O-CB 3.03Å; E306-R310 PolarHBondContact O-N 3.05Å; L308-R310 PolarHBondContact O-N 3.28Å
311K95.7Very high95.4Very high172 Ų17272.6 Ų72.675%0.74834%0.344SS*.THydrogen-bonded Turntrans-97.2-8.5178.2-58177.1-179.4-176.90113.1L308 I309L308-K311 WeakPolarHBondContact O-CA 3.3Å; L308-K311 WeakPolarHBondContact O-CB 2.97Å; L308-K311 PolarHBondContact O-N 2.83Å; I309-K311 PolarHBondContact O-N 2.68Å; I309-K311 VanDerWaalsContact O-N 3.12Å
312L95.2Very high95.4Very high29 Ų2973.9 Ų73.915%0.15235%0.352CS..SBendtrans-89.8162.8-177.7-58.4-177000110.8L308 I309 K314 W317 Q320 L321L308-L312 HydrophobicContact CD1-CD2 4.22Å; L308-L312 HydrophobicContact CG-CD1 4.26Å; L308-L312 HydrophobicContact CG-CD2 4.49Å; L308-L312 HydrophobicContact CG-CG 4.43Å; L308-L312 WeakPolarHBondContact O-CG 3.21Å; L308-L312 PolarHBondContact O-N 3.04Å; I309-L312 PolarHBondContact O-N 2.94Å; L312-K314 PolarHBondContact O-N 3.27Å; L312-W317 HydrophobicContact CB-CB 4.03Å; L312-W317 HydrophobicContact CD1-CB 4.44Å; L312-Q320 HydrophobicContact CB-CB 4.42Å; L312-Q320 HydrophobicContact CD1-CB 3.91Å; L312-Q320 HydrophobicContact CD2-CB 4.04Å; L312-Q320 HydrophobicContact CG-CB 4.32Å; L312-L321 HydrophobicContact CD1-CB 4.09Å
313D94.8Very high95.4Very high73 Ų7374.2 Ų74.239%0.3936%0.358SS..  trans-61.8132.2173.8175.9-100.4000111.2F315 N316 W317 Q320D313-F315 VanDerWaalsContact C-N 3.28Å; D313-F315 PolarHBondContact O-N 3.05Å; D313-F315 WeakPolarHBondContact OD1-CA 3.34Å; D313-F315 PolarHBondContact OD1-N 3.22Å; D313-N316 HydrophobicContact CB-CB 4.42Å; D313-N316 CarbonylContact O-C 3.6Å; D313-N316 PolarHBondContact O-N 3.49Å; D313-N316 WeakPolarHBondContact OD1-CB 3.44Å; D313-N316 PolarHBondContact OD1-N 3.08Å; D313-W317 VanDerWaalsContact O-CA 3.27Å; D313-W317 WeakPolarHBondContact O-CA 3.44Å; D313-W317 VanDerWaalsContact O-CB 3.26Å; D313-W317 WeakPolarHBondContact O-CB 3.4Å; D313-W317 PolarHBondContact O-N 3.45Å; D313-Q320 VanDerWaalsContact CB-NE2 3.35Å; D313-Q320 VanDerWaalsContact N-OE1 3.08Å
314K91.8Very high95.4Very high170 Ų17073.9 Ų73.974%0.73936%0.358SS*.THydrogen-bonded Turntrans-63.7-30.5-173.8-173.3-179.8177.1-175.90113.2L312L312-K314 PolarHBondContact O-N 3.27Å
315F93.1Very high95.4Very high190 Ų19073.8 Ų73.883%0.83336%0.357SS*.THydrogen-bonded Turntrans-93-20.3-176.6-63.1-78000112.6D313D313-F315 VanDerWaalsContact C-N 3.28Å; D313-F315 PolarHBondContact O-N 3.05Å; D313-F315 WeakPolarHBondContact OD1-CA 3.34Å; D313-F315 PolarHBondContact OD1-N 3.22Å
316N94Very high95.3Very high69 Ų6976 Ų7637%0.36937%0.369SS..THydrogen-bonded Turntrans-122.914.4-177.6-159.627000114.1D313 G318 N319 Q320D313-N316 HydrophobicContact CB-CB 4.42Å; D313-N316 CarbonylContact O-C 3.6Å; D313-N316 PolarHBondContact O-N 3.49Å; D313-N316 WeakPolarHBondContact OD1-CB 3.44Å; D313-N316 PolarHBondContact OD1-N 3.08Å; N316-G318 PolarHBondContact O-N 2.83Å; N316-N319 PolarHBondContact O-N 2.92Å; N316-N319 WeakPolarHBondContact OD1-CB 3.18Å; N316-N319 PolarHBondContact OD1-ND2 2.86Å; N316-Q320 PolarHBondContact O-N 3.04Å; N316-Q320 VanDerWaalsContact O-N 3.14Å
317W95.6Very high95.4Very high82 Ų8275 Ų7531%0.31138%0.38SS..Hα-helixtrans-55.3-32.6-175.772.1-93.5000112.4K269 I309 L312 D313 Q320 L321K269-W317 HydrophobicContact CG-CZ3 4.45Å; I309-W317 HydrophobicContact CD1-CE3 4.04Å; I309-W317 HydrophobicContact CD1-CZ3 4.02Å; I309-W317 HydrophobicContact CG1-CE3 4.04Å; I309-W317 HydrophobicContact CG1-CZ3 4.49Å; I309-W317 HydrophobicContact CG2-CB 4.45Å; I309-W317 HydrophobicContact CG2-CD2 4.38Å; I309-W317 HydrophobicContact CG2-CE3 4.39Å; I309-W317 HydrophobicContact CG2-CG 4.42Å; L312-W317 HydrophobicContact CB-CB 4.03Å; L312-W317 HydrophobicContact CD1-CB 4.44Å; D313-W317 VanDerWaalsContact O-CA 3.27Å; D313-W317 WeakPolarHBondContact O-CA 3.44Å; D313-W317 VanDerWaalsContact O-CB 3.26Å; D313-W317 WeakPolarHBondContact O-CB 3.4Å; D313-W317 PolarHBondContact O-N 3.45Å; W317-Q320 PolarHBondContact O-N 2.79Å; W317-L321 HydrophobicContact CE3-CB 4.33Å; W317-L321 HydrophobicContact CE3-CD2 4.17Å; W317-L321 HydrophobicContact CZ3-CD2 3.77Å; W317-L321 WeakPolarHBondContact O-CB 3.36Å; W317-L321 PolarHBondContact O-N 3.12Å
318G93.9Very high95.5Very high10 Ų1074 Ų7410%0.10338%0.38CS..Hα-helixtrans-60.1-54.5179.500000111.7N316 Q320 L321 V322N316-G318 PolarHBondContact O-N 2.83Å; G318-Q320 PolarHBondContact O-N 3.33Å; G318-L321 PolarHBondContact O-N 3.39Å; G318-V322 WeakPolarHBondContact O-CG2 3.44Å; G318-V322 PolarHBondContact O-N 3Å
319N94.7Very high95.5Very high112 Ų11276.4 Ų76.460%0.59939%0.388SS*.Hα-helixtrans-66.7-38.9179.7-65.9-32.3000111.7N316 L321 V322 A323N316-N319 PolarHBondContact O-N 2.92Å; N316-N319 WeakPolarHBondContact OD1-CB 3.18Å; N316-N319 PolarHBondContact OD1-ND2 2.86Å; N319-L321 PolarHBondContact O-N 3.38Å; N319-V322 PolarHBondContact O-N 3.17Å; N319-A323 WeakPolarHBondContact O-CB 3.43Å; N319-A323 PolarHBondContact O-N 3.21Å
320Q97Very high95.6Very high62 Ų6277.5 Ų77.529%0.2939%0.39SS..Hα-helixtrans-65.7-37.5176.3-67.9-177.110.200112.1L312 D313 N316 W317 G318 A323 N324L312-Q320 HydrophobicContact CB-CB 4.42Å; L312-Q320 HydrophobicContact CD1-CB 3.91Å; L312-Q320 HydrophobicContact CD2-CB 4.04Å; L312-Q320 HydrophobicContact CG-CB 4.32Å; D313-Q320 VanDerWaalsContact CB-NE2 3.35Å; D313-Q320 VanDerWaalsContact N-OE1 3.08Å; N316-Q320 PolarHBondContact O-N 3.04Å; N316-Q320 VanDerWaalsContact O-N 3.14Å; W317-Q320 PolarHBondContact O-N 2.79Å; G318-Q320 PolarHBondContact O-N 3.33Å; Q320-A323 PolarHBondContact O-N 2.92Å; Q320-N324 PolarHBondContact O-N 2.81Å; Q320-N324 PolarHBondContact O-ND2 2.83Å
321L96.7Very high95.7Very high0 Ų067.9 Ų67.90%035%0.354CS..Hα-helixtrans-64.8-45.4173.9176.561.9000110.8I268 K269 Y305 L308 I309 L312 W317 G318 N319 A323 N324 I325I268-L321 HydrophobicContact CG2-CD2 4.23Å; K269-L321 HydrophobicContact CG-CD2 4.17Å; Y305-L321 HydrophobicContact CD1-CD1 3.84Å; Y305-L321 HydrophobicContact CD2-CD1 4.34Å; Y305-L321 HydrophobicContact CD2-CD2 4.33Å; Y305-L321 HydrophobicContact CE1-CD1 4.49Å; Y305-L321 HydrophobicContact CG-CD1 3.75Å; Y305-L321 HydrophobicContact CG-CD2 4.39Å; L308-L321 HydrophobicContact CD2-CD1 3.76Å; I309-L321 HydrophobicContact CD1-CD2 4.2Å; I309-L321 HydrophobicContact CG1-CD2 4.35Å; L312-L321 HydrophobicContact CD1-CB 4.09Å; W317-L321 HydrophobicContact CE3-CB 4.33Å; W317-L321 HydrophobicContact CE3-CD2 4.17Å; W317-L321 HydrophobicContact CZ3-CD2 3.77Å; W317-L321 WeakPolarHBondContact O-CB 3.36Å; W317-L321 PolarHBondContact O-N 3.12Å; G318-L321 PolarHBondContact O-N 3.39Å; N319-L321 PolarHBondContact O-N 3.38Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.18Å; L321-N324 PolarHBondContact O-N 3.34Å; L321-I325 HydrophobicContact CD1-CD1 4.02Å; L321-I325 HydrophobicContact CD1-CG1 4.2Å; L321-I325 HydrophobicContact CD2-CD1 4.49Å; L321-I325 HydrophobicContact CG-CD1 3.87Å; L321-I325 HydrophobicContact CG-CG1 4.46Å; L321-I325 WeakPolarHBondContact O-CG1 3.15Å; L321-I325 PolarHBondContact O-N 3Å
322V96.1Very high95.7Very high27 Ų2764 Ų6416%0.16435%0.346CS..Hα-helixtrans-56.9-48.5174.7173.80000110.1I268 L276 G318 N319 N324 I325 L326I268-V322 HydrophobicContact CG2-CG2 3.78Å; L276-V322 HydrophobicContact CB-CG1 4.31Å; L276-V322 HydrophobicContact CD1-CG1 4.34Å; L276-V322 HydrophobicContact CD1-CG2 4.09Å; L276-V322 HydrophobicContact CD2-CG2 4.02Å; L276-V322 HydrophobicContact CG-CG2 4.49Å; G318-V322 WeakPolarHBondContact O-CG2 3.44Å; G318-V322 PolarHBondContact O-N 3Å; N319-V322 PolarHBondContact O-N 3.17Å; V322-N324 VanDerWaalsContact C-N 3.32Å; V322-N324 PolarHBondContact O-N 3.11Å; V322-I325 PolarHBondContact O-N 2.95Å; V322-L326 HydrophobicContact CG1-CD1 3.88Å; V322-L326 HydrophobicContact CG1-CG 4.15Å; V322-L326 WeakPolarHBondContact O-CB 3.37Å; V322-L326 VanDerWaalsContact O-CG 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 2.89Å
323A97Very high95.8Very high57 Ų5764 Ų6447%0.47135%0.348SS..Hα-helixtrans-56.7-43.8177.400000112.3N319 Q320 L321 L326 A327N319-A323 WeakPolarHBondContact O-CB 3.43Å; N319-A323 PolarHBondContact O-N 3.21Å; Q320-A323 PolarHBondContact O-N 2.92Å; L321-A323 VanDerWaalsContact C-N 3.33Å; L321-A323 PolarHBondContact O-N 3.18Å; A323-L326 PolarHBondContact O-N 2.92Å; A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.4Å
324N97.5Very high95.8Very high52 Ų5262 Ų6228%0.27834%0.338SS..Hα-helixtrans-63.7-45.1176.1-84.8-88.5000112.5L308 Q320 L321 V322 L326 A327 G328 Y329L308-N324 HydrophobicContact CD2-CB 3.87Å; Q320-N324 PolarHBondContact O-N 2.81Å; Q320-N324 PolarHBondContact O-ND2 2.83Å; L321-N324 PolarHBondContact O-N 3.34Å; V322-N324 VanDerWaalsContact C-N 3.32Å; V322-N324 PolarHBondContact O-N 3.11Å; N324-L326 VanDerWaalsContact C-N 3.3Å; N324-L326 PolarHBondContact O-N 2.96Å; N324-A327 PolarHBondContact O-N 3.36Å; N324-G328 PolarHBondContact O-N 3.32Å; N324-Y329 VanDerWaalsContact O-CB 3.23Å; N324-Y329 WeakPolarHBondContact O-CB 3.14Å; N324-Y329 PolarHBondContact O-N 3.2Å
325I96.8Very high95.9Very high1 Ų161.3 Ų61.31%0.00535%0.348CS..Hα-helixtrans-60.9-42.4177.2-69.2168.9000110.3P273 W288 Y305 L321 V322 G328 R330P273-I325 HydrophobicContact CG-CG2 4.22Å; W288-I325 HydrophobicContact CH2-CG2 3.91Å; W288-I325 HydrophobicContact CZ2-CG2 3.83Å; Y305-I325 HydrophobicContact CE1-CD1 4.41Å; Y305-I325 HydrophobicContact CE1-CG1 4.25Å; Y305-I325 HydrophobicContact CE2-CD1 4.32Å; L321-I325 HydrophobicContact CD1-CD1 4.02Å; L321-I325 HydrophobicContact CD1-CG1 4.2Å; L321-I325 HydrophobicContact CD2-CD1 4.49Å; L321-I325 HydrophobicContact CG-CD1 3.87Å; L321-I325 HydrophobicContact CG-CG1 4.46Å; L321-I325 WeakPolarHBondContact O-CG1 3.15Å; L321-I325 PolarHBondContact O-N 3Å; V322-I325 PolarHBondContact O-N 2.95Å; I325-G328 PolarHBondContact O-N 3.41Å; I325-G328 VanDerWaalsContact O-N 3.14Å; I325-R330 PolarHBondContact O-NH1 2.81Å
326L95.7Very high95.9Very high49 Ų4955.3 Ų55.326%0.25734%0.34SS..Hα-helixtrans-69.6-31.1176.9-65.4-175000112.6P273 I277 V322 A323 N324 G328 R351P273-L326 HydrophobicContact CB-CD2 3.81Å; I277-L326 HydrophobicContact CD1-CD1 4.31Å; I277-L326 HydrophobicContact CD1-CD2 3.71Å; I277-L326 HydrophobicContact CG1-CD1 4.02Å; I277-L326 HydrophobicContact CG1-CD2 4.05Å; V322-L326 HydrophobicContact CG1-CD1 3.88Å; V322-L326 HydrophobicContact CG1-CG 4.15Å; V322-L326 WeakPolarHBondContact O-CB 3.37Å; V322-L326 VanDerWaalsContact O-CG 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.42Å; V322-L326 PolarHBondContact O-N 2.89Å; A323-L326 PolarHBondContact O-N 2.92Å; N324-L326 VanDerWaalsContact C-N 3.3Å; N324-L326 PolarHBondContact O-N 2.96Å; L326-G328 PolarHBondContact O-N 2.9Å; L326-R351 PolarHBondContact O-NH1 3.07Å
327A96.4Very high96Very high90 Ų9053 Ų5374%0.74433%0.328SS*.THydrogen-bonded Turntrans-72.2-5.9171.700000113.4A323 N324A323-A327 WeakPolarHBondContact O-CB 3.3Å; A323-A327 PolarHBondContact O-N 3.4Å; N324-A327 PolarHBondContact O-N 3.36Å
328G96.2Very high96Very high43 Ų4350.8 Ų50.844%0.44332%0.324SS..THydrogen-bonded Turntrans101.93.217600000114.7N324 I325 L326 R330N324-G328 PolarHBondContact O-N 3.32Å; I325-G328 PolarHBondContact O-N 3.41Å; I325-G328 VanDerWaalsContact O-N 3.14Å; L326-G328 PolarHBondContact O-N 2.9Å; G328-R330 PolarHBondContact O-N 3.14Å
329Y97Very high96.1Very high71 Ų7156.7 Ų56.728%0.27835%0.347SS..  trans-59.6134.2174.3179.3-91.5000110.8Y305 L308 N324Y305-Y329 HydrophobicContact CD1-CD1 4.26Å; Y305-Y329 AromaticContact CD1-CE1 3.89Å; Y305-Y329 HydrophobicContact CD1-CE1 3.89Å; Y305-Y329 HydrophobicContact CE1-CD1 4.2Å; Y305-Y329 HydrophobicContact CE1-CE1 4.14Å; L308-Y329 HydrophobicContact CB-CE1 4.39Å; L308-Y329 HydrophobicContact CD2-CD1 3.71Å; L308-Y329 HydrophobicContact CD2-CE1 3.72Å; L308-Y329 HydrophobicContact CD2-CG 4.25Å; N324-Y329 VanDerWaalsContact O-CB 3.23Å; N324-Y329 WeakPolarHBondContact O-CB 3.14Å; N324-Y329 PolarHBondContact O-N 3.2Å
330R96.9Very high96.1Very high58 Ų5854.1 Ų54.122%0.21933%0.332CS..  trans-133.3148.6172.3-60.2-61.1-179.7-93.9-0.7109.3W288 I325 G328 W349W288-R330 VanDerWaalsContact CH2-CZ 3.46Å; I325-R330 PolarHBondContact O-NH1 2.81Å; G328-R330 PolarHBondContact O-N 3.14Å; R330-W349 HydrophobicContact CB-CE3 4.05Å; R330-W349 HydrophobicContact CB-CZ3 4.48Å; R330-W349 HydrophobicContact CG-CB 4.41Å; R330-W349 HydrophobicContact CG-CE3 4.44Å; R330-W349 PolarHBondContact NE-O 3.31Å; R330-W349 PolarHBondContact NH2-O 3.44Å
331M97.1Very high96.1Very high9 Ų951.2 Ų51.24%0.04432%0.318CS..PPolyproline II helixtrans-63.6143.4177-67.3178.9-73.600110.8I292 W295 P304 Y305 W349I292-M331 HydrophobicContact CD1-CE 3.52Å; W295-M331 HydrophobicContact CB-CE 4.39Å; W295-M331 HydrophobicContact CD2-CE 3.99Å; W295-M331 HydrophobicContact CD2-SD 3.84Å; W295-M331 HydrophobicContact CE3-CE 4.28Å; W295-M331 HydrophobicContact CE3-SD 4.04Å; W295-M331 HydrophobicContact CG-CE 4.02Å; W295-M331 HydrophobicContact CG-SD 4.4Å; W295-M331 HydrophobicContact CH2-SD 4.24Å; W295-M331 HydrophobicContact CZ2-SD 4.04Å; W295-M331 HydrophobicContact CZ3-SD 4.25Å; P304-M331 HydrophobicContact CB-CE 4.17Å; P304-M331 HydrophobicContact CB-SD 4.07Å; Y305-M331 HydrophobicContact CD1-CG 3.52Å; Y305-M331 HydrophobicContact CD1-SD 4.01Å; Y305-M331 HydrophobicContact CD2-CE 4.3Å; Y305-M331 HydrophobicContact CD2-SD 4.12Å; Y305-M331 HydrophobicContact CE1-CE 4.21Å; Y305-M331 HydrophobicContact CE1-CG 3.55Å; Y305-M331 HydrophobicContact CE1-SD 4.17Å; Y305-M331 HydrophobicContact CE2-CE 3.87Å; Y305-M331 HydrophobicContact CE2-SD 4.26Å; Y305-M331 HydrophobicContact CG-CG 4.11Å; Y305-M331 HydrophobicContact CG-SD 3.99Å; Y305-M331 PolarHBondContact N-SD 3.46Å; M331-W349 HydrophobicContact CB-CH2 4.16Å; M331-W349 HydrophobicContact CB-CZ3 4.34Å; M331-W349 HydrophobicContact CE-CH2 3.88Å; M331-W349 HydrophobicContact CE-CZ2 3.82Å; M331-W349 WeakPolarHBondContact O-CZ3 3.35Å
332P96.7Very high96.1Very high90 Ų9053 Ų5358%0.58433%0.327SS*.PPolyproline II helixtrans-64.2137168.927.5-33.1000109.9W295W295-P332 PolarHBondContact NE1-O 2.79Å
333V96.6Very high96.2Very high30 Ų3054.7 Ų54.718%0.18234%0.337CS..PPolyproline II helixtrans-73.1137.6175.9-179.60000109T337 E342 I345V333-T337 HydrophobicContact CG1-CG2 3.75Å; V333-E342 HydrophobicContact CB-CG 3.99Å; V333-E342 HydrophobicContact CG1-CB 4.28Å; V333-E342 HydrophobicContact CG1-CG 3.98Å; V333-E342 HydrophobicContact CG2-CG 3.91Å; V333-I345 HydrophobicContact CG1-CD1 4.23Å; V333-I345 HydrophobicContact CG2-CG2 4.2Å
334P95.8Very high96.2Very high29 Ų2952.2 Ų52.219%0.18832%0.316CS..PPolyproline II helixtrans-57.1141.9-178.5-28.838.6000113.5L298 S299 T337L298-P334 HydrophobicContact CB-CB 4.43Å; L298-P334 HydrophobicContact CB-CG 3.95Å; S299-P334 WeakPolarHBondContact OG-CG 3.46Å; P334-T337 VanDerWaalsContact O-CB 3.3Å; P334-T337 WeakPolarHBondContact O-CB 3.5Å; P334-T337 PolarHBondContact O-N 2.93Å; P334-T337 PolarHBondContact O-OG1 3.34Å
335V94.2Very high96.3Very high157 Ų15749.8 Ų49.895%0.95230%0.302SS*.THydrogen-bonded Turntrans-58.5140.2176.7-179.20000110.3T337V335-T337 VanDerWaalsContact C-N 3.31Å
336G92.4Very high96.3Very high64 Ų6454.7 Ų54.766%0.6632%0.324SS*.THydrogen-bonded Turntrans84.2-0.6-177.400000114.6P338G336-P338 WeakPolarHBondContact O-CD 3.5Å
337T96.1Very high96.4Very high20 Ų2055.3 Ų55.312%0.12333%0.327CS..  trans-66.3127.1171.9-58.80000110.3L298 V333 P334 V335 V341 E342L298-T337 HydrophobicContact CD1-CG2 3.76Å; L298-T337 HydrophobicContact CD2-CG2 4.5Å; V333-T337 HydrophobicContact CG1-CG2 3.75Å; P334-T337 VanDerWaalsContact O-CB 3.3Å; P334-T337 WeakPolarHBondContact O-CB 3.5Å; P334-T337 PolarHBondContact O-N 2.93Å; P334-T337 PolarHBondContact O-OG1 3.34Å; V335-T337 VanDerWaalsContact C-N 3.31Å; T337-V341 HydrophobicContact CG2-CB 3.84Å; T337-V341 HydrophobicContact CG2-CG1 3.87Å; T337-E342 HydrophobicContact CG2-CB 4.31Å
338P95.5Very high96.5Very high35 Ų3551 Ų5123%0.22729%0.292CS..  trans-60.4145.6177.6-27.237.3000112.6I203 I207 G336 H340 V341 E342I203-P338 HydrophobicContact CG1-CG 4.01Å; I207-P338 HydrophobicContact CD1-CG 4.02Å; G336-P338 WeakPolarHBondContact O-CD 3.5Å; P338-H340 VanDerWaalsContact C-N 3.3Å; P338-H340 VanDerWaalsContact CB-CE1 3.44Å; P338-H340 WeakPolarHBondContact CB-CE1 3.34Å; P338-H340 PolarHBondContact O-N 3.26Å; P338-H340 VanDerWaalsContact O-N 3.16Å; P338-V341 HydrophobicContact CB-CG2 4.27Å; P338-V341 WeakPolarHBondContact O-CB 3.46Å; P338-V341 PolarHBondContact O-N 3.04Å; P338-E342 PolarHBondContact O-N 3.12Å
339K95.3Very high96.6Very high135 Ų13549.3 Ų49.359%0.58727%0.272SS*.Hα-helixtrans-57.9-37.8-169.6-168.159.5176.2-177.20114.6V341 E342 T343K339-V341 VanDerWaalsContact C-N 3.35Å; K339-E342 WeakPolarHBondContact CD-OE2 3.37Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 IonicContact NZ-OE2 3.75Å; K339-E342 PolarHBondContact NZ-OE2 3.09Å; K339-E342 PolarHBondContact O-N 3.05Å; K339-T343 WeakPolarHBondContact O-CB 3.45Å; K339-T343 PolarHBondContact O-N 3.4Å; K339-T343 PolarHBondContact O-OG1 2.85Å
340H94.8Very high96.7Very high58 Ų5849.7 Ų49.727%0.26928%0.277SS..Hα-helixtrans-66.2-36.6177.663-81.5000112.2P338 L344 T365 N368P338-H340 VanDerWaalsContact C-N 3.3Å; P338-H340 VanDerWaalsContact CB-CE1 3.44Å; P338-H340 WeakPolarHBondContact CB-CE1 3.34Å; P338-H340 PolarHBondContact O-N 3.26Å; P338-H340 VanDerWaalsContact O-N 3.16Å; H340-L344 PolarHBondContact O-N 2.84Å; H340-T365 HydrophobicContact CB-CG2 4.37Å; H340-T365 PolarHBondContact CD2-O 3Å; H340-N368 PolarHBondContact CE1-ND2 2.74Å
341V96.7Very high96.7Very high1 Ų153.2 Ų53.21%0.00629%0.29CS..Hα-helixtrans-72.2-43176-175.20000110.8I207 M294 L298 T337 P338 K339 T343 L344 I345 L366I207-V341 HydrophobicContact CD1-CG2 3.84Å; I207-V341 HydrophobicContact CG1-CG2 4.05Å; M294-V341 HydrophobicContact CE-CG1 3.58Å; L298-V341 HydrophobicContact CD1-CG1 4.01Å; T337-V341 HydrophobicContact CG2-CB 3.84Å; T337-V341 HydrophobicContact CG2-CG1 3.87Å; P338-V341 HydrophobicContact CB-CG2 4.27Å; P338-V341 WeakPolarHBondContact O-CB 3.46Å; P338-V341 PolarHBondContact O-N 3.04Å; K339-V341 VanDerWaalsContact C-N 3.35Å; V341-T343 VanDerWaalsContact C-N 3.29Å; V341-T343 PolarHBondContact O-N 2.89Å; V341-L344 PolarHBondContact O-N 2.95Å; V341-I345 HydrophobicContact CG1-CD1 4.37Å; V341-I345 WeakPolarHBondContact O-CG1 3.43Å; V341-I345 PolarHBondContact O-N 2.91Å; V341-L366 HydrophobicContact CG2-CD2 4.38Å
342E97.7Very high96.6Very high38 Ų3856.3 Ų56.318%0.17831%0.306CS..Hα-helixtrans-56.4-46173.6-173-159.8160.900110.9V333 T337 P338 K339 I345 K346V333-E342 HydrophobicContact CB-CG 3.99Å; V333-E342 HydrophobicContact CG1-CB 4.28Å; V333-E342 HydrophobicContact CG1-CG 3.98Å; V333-E342 HydrophobicContact CG2-CG 3.91Å; T337-E342 HydrophobicContact CG2-CB 4.31Å; P338-E342 PolarHBondContact O-N 3.12Å; K339-E342 WeakPolarHBondContact CD-OE2 3.37Å; K339-E342 IonicContact NZ-OE1 2.83Å; K339-E342 IonicContact NZ-OE2 3.75Å; K339-E342 PolarHBondContact NZ-OE2 3.09Å; K339-E342 PolarHBondContact O-N 3.05Å; E342-I345 PolarHBondContact O-N 2.78Å; E342-K346 WeakPolarHBondContact O-CG 3.39Å; E342-K346 PolarHBondContact O-N 3.26Å; E342-K346 WeakPolarHBondContact OE1-CE 3.48Å; E342-K346 IonicContact OE1-NZ 3.41Å; E342-K346 PolarHBondContact OE1-NZ 2.87Å
343T97.4Very high96.7Very high62 Ų6253.6 Ų53.638%0.3829%0.289SS..Hα-helixtrans-62.4-43.3177.8-56.20000111.3K339 V341 K346 N347K339-T343 WeakPolarHBondContact O-CB 3.45Å; K339-T343 PolarHBondContact O-N 3.4Å; K339-T343 PolarHBondContact O-OG1 2.85Å; V341-T343 VanDerWaalsContact C-N 3.29Å; V341-T343 PolarHBondContact O-N 2.89Å; T343-K346 PolarHBondContact O-N 2.93Å; T343-N347 WeakPolarHBondContact O-CB 3.11Å; T343-N347 PolarHBondContact O-N 2.84Å; T343-N347 PolarHBondContact O-ND2 3.31Å
344L98.1Very high96.7Very high5 Ų558.4 Ų58.43%0.02631%0.313CS..Hα-helixtrans-59.7-47.6175.7178.557.7000111.8M294 H340 V341 K346 N347 C348 P357 A362 T365 L366M294-L344 HydrophobicContact CE-CD2 3.84Å; M294-L344 HydrophobicContact CE-CG 4.16Å; M294-L344 HydrophobicContact SD-CD2 4.1Å; M294-L344 HydrophobicContact SD-CG 4.23Å; H340-L344 PolarHBondContact O-N 2.84Å; V341-L344 PolarHBondContact O-N 2.95Å; L344-K346 VanDerWaalsContact C-N 3.34Å; L344-K346 PolarHBondContact O-N 2.84Å; L344-N347 CarbonylContact O-C 3.58Å; L344-N347 WeakPolarHBondContact O-CB 3.41Å; L344-N347 PolarHBondContact O-N 3.31Å; L344-N347 VanDerWaalsContact O-N 3.11Å; L344-C348 PolarHBondContact O-N 2.89Å; L344-C348 PolarHBondContact O-SG 3.47Å; L344-P357 HydrophobicContact CD1-CG 3.82Å; L344-A362 HydrophobicContact CD1-CB 4.06Å; L344-A362 HydrophobicContact CD2-CB 4.15Å; L344-T365 HydrophobicContact CB-CG2 4.19Å; L344-T365 HydrophobicContact CD2-CG2 4.21Å; L344-L366 HydrophobicContact CD2-CD1 4.08Å; L344-L366 HydrophobicContact CD2-CD2 4.03Å; L344-L366 HydrophobicContact CD2-CG 3.79Å
345I98.3Very high96.8Very high0 Ų064 Ų640%034%0.335CS..Hα-helixtrans-58.5-46.4178-68.9170.6000111.1M294 L298 V333 V341 E342 N347 C348 W349M294-I345 HydrophobicContact CB-CD1 4.05Å; M294-I345 HydrophobicContact CB-CG1 3.91Å; M294-I345 HydrophobicContact CE-CD1 4.24Å; M294-I345 HydrophobicContact CE-CG1 3.68Å; M294-I345 HydrophobicContact SD-CG1 4.04Å; L298-I345 HydrophobicContact CD1-CD1 3.42Å; L298-I345 VanDerWaalsContact CD1-CD1 3.42Å; V333-I345 HydrophobicContact CG1-CD1 4.23Å; V333-I345 HydrophobicContact CG2-CG2 4.2Å; V341-I345 HydrophobicContact CG1-CD1 4.37Å; V341-I345 WeakPolarHBondContact O-CG1 3.43Å; V341-I345 PolarHBondContact O-N 2.91Å; E342-I345 PolarHBondContact O-N 2.78Å; I345-N347 VanDerWaalsContact C-N 3.28Å; I345-N347 PolarHBondContact O-N 3.09Å; I345-C348 WeakPolarHBondContact O-CB 3.46Å; I345-C348 PolarHBondContact O-N 3.35Å; I345-C348 VanDerWaalsContact O-N 3.17Å; I345-W349 HydrophobicContact CG2-CD2 3.95Å; I345-W349 HydrophobicContact CG2-CE3 3.7Å; I345-W349 HydrophobicContact CG2-CH2 3.36Å; I345-W349 HydrophobicContact CG2-CZ2 3.6Å; I345-W349 HydrophobicContact CG2-CZ3 3.42Å; I345-W349 VanDerWaalsContact CG2-CZ3 3.42Å; I345-W349 PolarHBondContact O-N 2.68Å
346K98.1Very high97Very high104 Ų10456.8 Ų56.845%0.45229%0.291SS..Hα-helixtrans-60.6-38.9176.7-71.2179.3-178.5178.50111.9E342 T343 L344 W349E342-K346 WeakPolarHBondContact O-CG 3.39Å; E342-K346 PolarHBondContact O-N 3.26Å; E342-K346 WeakPolarHBondContact OE1-CE 3.48Å; E342-K346 IonicContact OE1-NZ 3.41Å; E342-K346 PolarHBondContact OE1-NZ 2.87Å; T343-K346 PolarHBondContact O-N 2.93Å; L344-K346 VanDerWaalsContact C-N 3.34Å; L344-K346 PolarHBondContact O-N 2.84Å; K346-W349 PolarHBondContact O-N 3.35Å
347N98.3Very high97.2Very high62 Ų6254.5 Ų54.533%0.33226%0.264SS..Hα-helixtrans-68.5-34.4176.3-69.8-14.8000112.6T343 L344 I345 W349 Q350T343-N347 WeakPolarHBondContact O-CB 3.11Å; T343-N347 PolarHBondContact O-N 2.84Å; T343-N347 PolarHBondContact O-ND2 3.31Å; L344-N347 CarbonylContact O-C 3.58Å; L344-N347 WeakPolarHBondContact O-CB 3.41Å; L344-N347 PolarHBondContact O-N 3.31Å; L344-N347 VanDerWaalsContact O-N 3.11Å; I345-N347 VanDerWaalsContact C-N 3.28Å; I345-N347 PolarHBondContact O-N 3.09Å; N347-W349 PolarHBondContact O-N 3.01Å; N347-Q350 VanDerWaalsContact O-CG 3.3Å; N347-Q350 WeakPolarHBondContact O-CG 3.43Å; N347-Q350 PolarHBondContact O-N 3.46Å
348C98.5Very high97.3Very high0 Ų055.1 Ų55.10%027%0.268CS..Hα-helixtrans-62.2-29.6172-64.10000112.2M287 L344 I345 R356M287-C348 HydrophobicContact CG-CB 4.5Å; L344-C348 PolarHBondContact O-N 2.89Å; L344-C348 PolarHBondContact O-SG 3.47Å; I345-C348 WeakPolarHBondContact O-CB 3.46Å; I345-C348 PolarHBondContact O-N 3.35Å; I345-C348 VanDerWaalsContact O-N 3.17Å; C348-R356 VanDerWaalsContact O-CD 3.27Å; C348-R356 WeakPolarHBondContact O-CD 3.23Å
349W98.3Very high97.4Very high8 Ų853.9 Ų53.93%0.0326%0.259CS..THydrogen-bonded Turntrans-98.219.7-176.5-61.1-26.3000115.1W288 G291 I292 W295 R330 M331 I345 K346 N347W288-W349 AromaticContact CD2-CD1 3.98Å; W288-W349 HydrophobicContact CE3-CB 4.32Å; W288-W349 HydrophobicContact CH2-CB 4.43Å; W288-W349 HydrophobicContact CZ3-CB 4.06Å; W288-W349 WeakPolarHBondContact CZ3-O 3.47Å; G291-W349 WeakPolarHBondContact O-CZ2 3.32Å; I292-W349 HydrophobicContact CD1-CZ2 3.8Å; W295-W349 HydrophobicContact CB-CH2 3.95Å; W295-W349 HydrophobicContact CB-CZ2 3.95Å; W295-W349 AromaticContact CD1-CH2 3.79Å; W295-W349 HydrophobicContact CG-CH2 4.06Å; W295-W349 HydrophobicContact CG-CZ2 4.47Å; R330-W349 HydrophobicContact CB-CE3 4.05Å; R330-W349 HydrophobicContact CB-CZ3 4.48Å; R330-W349 HydrophobicContact CG-CB 4.41Å; R330-W349 HydrophobicContact CG-CE3 4.44Å; R330-W349 PolarHBondContact NE-O 3.31Å; R330-W349 PolarHBondContact NH2-O 3.44Å; M331-W349 HydrophobicContact CB-CH2 4.16Å; M331-W349 HydrophobicContact CB-CZ3 4.34Å; M331-W349 HydrophobicContact CE-CH2 3.88Å; M331-W349 HydrophobicContact CE-CZ2 3.82Å; M331-W349 WeakPolarHBondContact O-CZ3 3.35Å; I345-W349 HydrophobicContact CG2-CD2 3.95Å; I345-W349 HydrophobicContact CG2-CE3 3.7Å; I345-W349 HydrophobicContact CG2-CH2 3.36Å; I345-W349 HydrophobicContact CG2-CZ2 3.6Å; I345-W349 HydrophobicContact CG2-CZ3 3.42Å; I345-W349 VanDerWaalsContact CG2-CZ3 3.42Å; I345-W349 PolarHBondContact O-N 2.68Å; K346-W349 PolarHBondContact O-N 3.35Å; N347-W349 PolarHBondContact O-N 3.01Å
350Q98.2Very high97.4Very high79 Ų7953 Ų5337%0.36926%0.257SS..  trans-62136.1169.3-68.1-66-14.200110.6N347 K355 R356N347-Q350 VanDerWaalsContact O-CG 3.3Å; N347-Q350 WeakPolarHBondContact O-CG 3.43Å; N347-Q350 PolarHBondContact O-N 3.46Å; Q350-K355 HydrophobicContact CB-CB 3.92Å; Q350-K355 HydrophobicContact CG-CB 4.08Å; Q350-R356 HydrophobicContact CB-CG 4.06Å; Q350-R356 PolarHBondContact O-NE 2.79Å; Q350-R356 PolarHBondContact O-NH2 2.93Å
351R96.4Very high97.4Very high132 Ų13255.7 Ų55.750%0.49827%0.271SS..SBendtrans-61.9-49.7179.8-177.1-177.9177.1101.8-1110.7L326 P353 R356L326-R351 PolarHBondContact O-NH1 3.07Å; R351-P353 WeakPolarHBondContact O-CD 3.41Å; R351-R356 PolarHBondContact O-NH2 2.79Å
352N96.6Very high97.5Very high73 Ų7355.7 Ų55.739%0.3927%0.271SS..SBendtrans-71.3119.2174.8-177.5-12.8000109.8D354 K355N352-D354 PolarHBondContact O-N 2.92Å; N352-D354 WeakPolarHBondContact OD1-CB 3.38Å; N352-D354 PolarHBondContact OD1-N 2.84Å; N352-K355 HydrophobicContact CB-CB 4.46Å; N352-K355 HydrophobicContact CB-CG 4.01Å; N352-K355 PolarHBondContact O-N 3.38Å; N352-K355 VanDerWaalsContact O-N 3.12Å
353P97.2Very high97.4Very high33 Ų3358 Ų5821%0.21428%0.278CS..G310 helixtrans-54.9-34.5177.6-25.535.6000114.1E274 K284 R351 K355 R356E274-P353 HydrophobicContact CG-CG 4.16Å; K284-P353 HydrophobicContact CB-CB 3.75Å; K284-P353 WeakPolarHBondContact CD-O 3.49Å; K284-P353 HydrophobicContact CG-CB 4.22Å; R351-P353 WeakPolarHBondContact O-CD 3.41Å; P353-K355 PolarHBondContact O-N 3.19Å; P353-R356 WeakPolarHBondContact O-CB 3.49Å; P353-R356 PolarHBondContact O-N 3.02Å
354D96.3Very high97.2Very high131 Ų13163.6 Ų63.670%0.70130%0.297SS*.G310 helixtrans-69.2-21.6-178-62.2-31.7000112.9N352 R356N352-D354 PolarHBondContact O-N 2.92Å; N352-D354 WeakPolarHBondContact OD1-CB 3.38Å; N352-D354 PolarHBondContact OD1-N 2.84Å; D354-R356 VanDerWaalsContact C-N 3.33Å
355K97.9Very high97Very high148 Ų14865.9 Ų65.964%0.64331%0.311SS*.G310 helixtrans-84.5-9175.6-62-64.3-176.6-178.50112.7Q350 N352 P353Q350-K355 HydrophobicContact CB-CB 3.92Å; Q350-K355 HydrophobicContact CG-CB 4.08Å; N352-K355 HydrophobicContact CB-CB 4.46Å; N352-K355 HydrophobicContact CB-CG 4.01Å; N352-K355 PolarHBondContact O-N 3.38Å; N352-K355 VanDerWaalsContact O-N 3.12Å; P353-K355 PolarHBondContact O-N 3.19Å
356R98.3Very high96.9Very high5 Ų566 Ų662%0.01931%0.312CS..SBendtrans-78147.4174.9-56.9177.9-164.7148.312.6109.7E274 K284 M287 C348 Q350 R351 P353 D354E274-R356 IonicContact OE1-CZ 2.68Å; E274-R356 IonicContact OE1-NH1 2.81Å; E274-R356 PolarHBondContact OE1-NH1 3.14Å; E274-R356 IonicContact OE1-NH2 3.55Å; E274-R356 PolarHBondContact OE1-NH2 3.44Å; E274-R356 IonicContact OE2-CZ 2.64Å; E274-R356 IonicContact OE2-NH1 3.5Å; E274-R356 PolarHBondContact OE2-NH1 2.93Å; E274-R356 IonicContact OE2-NH2 3.47Å; E274-R356 PolarHBondContact OE2-NH2 3.48Å; K284-R356 HydrophobicContact CD-CB 4.32Å; K284-R356 PolarHBondContact NZ-O 3.06Å; K284-R356 WeakPolarHBondContact O-CD 3.49Å; K284-R356 PolarHBondContact O-NH1 3.28Å; M287-R356 HydrophobicContact CG-CB 4.14Å; C348-R356 VanDerWaalsContact O-CD 3.27Å; C348-R356 WeakPolarHBondContact O-CD 3.23Å; Q350-R356 HydrophobicContact CB-CG 4.06Å; Q350-R356 PolarHBondContact O-NE 2.79Å; Q350-R356 PolarHBondContact O-NH2 2.93Å; R351-R356 PolarHBondContact O-NH2 2.79Å; P353-R356 WeakPolarHBondContact O-CB 3.49Å; P353-R356 PolarHBondContact O-N 3.02Å; D354-R356 VanDerWaalsContact C-N 3.33Å
357P97.9Very high96.4Very high16 Ų1664.2 Ų64.210%0.10431%0.313CS..PPolyproline II helixtrans-66.5169.3179.928.4-34.1000111.9K284 M287 L344 M361K284-P357 PolarHBondContact NZ-O 3.42Å; M287-P357 HydrophobicContact CE-CG 4.36Å; M287-P357 HydrophobicContact CG-CG 4.12Å; M287-P357 HydrophobicContact SD-CG 3.93Å; L344-P357 HydrophobicContact CD1-CG 3.82Å; P357-M361 HydrophobicContact CB-CB 4.03Å; P357-M361 HydrophobicContact CB-SD 4.37Å
358T97.6Very high94.9Very high33 Ų3366.3 Ų66.320%0.20232%0.324CS..PPolyproline II helixtrans-87.1162.416367.50000110Q360 M361 A362T358-Q360 PolarHBondContact O-N 3.47Å; T358-M361 PolarHBondContact O-N 2.88Å; T358-M361 VanDerWaalsContact O-N 3.11Å; T358-M361 WeakPolarHBondContact OG1-CG 3.27Å; T358-M361 PolarHBondContact OG1-N 3.03Å; T358-A362 PolarHBondContact O-N 3.43Å
359F97.4Very high92.9Very high8 Ų876.6 Ų76.64%0.03537%0.369CS..Hα-helixtrans-62.4-28.2174.7-72.2-70000112.7L217 A218 V221 D286 M287 F290 A362 R363L217-F359 HydrophobicContact CB-CD1 3.73Å; L217-F359 HydrophobicContact CB-CD2 4.23Å; L217-F359 HydrophobicContact CB-CE1 3.52Å; L217-F359 HydrophobicContact CB-CE2 4.03Å; L217-F359 HydrophobicContact CB-CG 4.1Å; L217-F359 HydrophobicContact CB-CZ 3.68Å; L217-F359 HydrophobicContact CD1-CD1 4.25Å; L217-F359 HydrophobicContact CD1-CE1 3.39Å; L217-F359 HydrophobicContact CD1-CZ 3.73Å; L217-F359 HydrophobicContact CG-CE1 4.08Å; L217-F359 HydrophobicContact CG-CZ 4.23Å; A218-F359 HydrophobicContact CB-CB 3.82Å; V221-F359 HydrophobicContact CG2-CD2 3.74Å; V221-F359 HydrophobicContact CG2-CE2 3.87Å; D286-F359 HydrophobicContact CB-CE2 4.37Å; D286-F359 HydrophobicContact CB-CZ 4.14Å; M287-F359 HydrophobicContact CB-CZ 4.31Å; M287-F359 HydrophobicContact CE-CB 4.23Å; M287-F359 HydrophobicContact CE-CD1 3.34Å; M287-F359 HydrophobicContact CE-CD2 4.03Å; M287-F359 HydrophobicContact CE-CE1 3.51Å; M287-F359 HydrophobicContact CE-CE2 4.19Å; M287-F359 HydrophobicContact CE-CG 3.61Å; M287-F359 HydrophobicContact CE-CZ 3.95Å; M287-F359 HydrophobicContact SD-CD1 4.38Å; M287-F359 HydrophobicContact SD-CE1 4.1Å; F290-F359 HydrophobicContact CB-CE1 3.96Å; F290-F359 HydrophobicContact CB-CZ 4.49Å; F290-F359 HydrophobicContact CD1-CE1 4.19Å; F290-F359 HydrophobicContact CG-CE1 4.01Å; F359-A362 PolarHBondContact O-N 2.91Å; F359-R363 WeakPolarHBondContact O-CB 3.25Å; F359-R363 WeakPolarHBondContact O-CD 3.21Å; F359-R363 WeakPolarHBondContact O-CG 3.48Å; F359-R363 PolarHBondContact O-N 3.04Å
360Q95.2Very high90.7Very high117 Ų11779.1 Ų79.155%0.54740%0.397SS..Hα-helixtrans-64.7-42.9172.8-63.7139.4-12.300111.6T358 R363 K364T358-Q360 PolarHBondContact O-N 3.47Å; Q360-R363 PolarHBondContact O-N 3.46Å; Q360-K364 PolarHBondContact O-N 2.98Å
361M96.1Very high88.6Confident115 Ų11577 Ų7757%0.56739%0.392SS*.Hα-helixtrans-66.3-41.4175.2-67.7175.2177.700112P357 T358 K364 T365P357-M361 HydrophobicContact CB-CB 4.03Å; P357-M361 HydrophobicContact CB-SD 4.37Å; T358-M361 PolarHBondContact O-N 2.88Å; T358-M361 VanDerWaalsContact O-N 3.11Å; T358-M361 WeakPolarHBondContact OG1-CG 3.27Å; T358-M361 PolarHBondContact OG1-N 3.03Å; M361-K364 PolarHBondContact O-N 3.04Å; M361-T365 PolarHBondContact O-N 2.8Å; M361-T365 PolarHBondContact O-OG1 3.31Å
362A97.2Very high86.6Confident0 Ų074.2 Ų74.20%039%0.393CS..Hα-helixtrans-60.4-47176.300000111.2M287 F290 L344 T358 F359 K364 T365 L366M287-A362 HydrophobicContact CE-CB 4.16Å; F290-A362 HydrophobicContact CE1-CB 4.19Å; L344-A362 HydrophobicContact CD1-CB 4.06Å; L344-A362 HydrophobicContact CD2-CB 4.15Å; T358-A362 PolarHBondContact O-N 3.43Å; F359-A362 PolarHBondContact O-N 2.91Å; A362-K364 PolarHBondContact O-N 3.14Å; A362-T365 WeakPolarHBondContact O-CB 3.27Å; A362-T365 PolarHBondContact O-N 2.82Å; A362-L366 WeakPolarHBondContact O-CG 3.49Å; A362-L366 PolarHBondContact O-N 3.29Å
363R95.2Very high84.7Confident86 Ų8679.7 Ų79.733%0.32541%0.414SS..Hα-helixtrans-55.9-52.2174.6-74.5167.466.3-167.71.1111.6L211 S214 E215 F359 Q360 T365 L366 S367L211-R363 HydrophobicContact CD1-CB 4.26Å; L211-R363 HydrophobicContact CD1-CG 4.3Å; S214-R363 WeakPolarHBondContact OG-CG 3.48Å; E215-R363 HydrophobicContact CG-CG 4.34Å; F359-R363 WeakPolarHBondContact O-CB 3.25Å; F359-R363 WeakPolarHBondContact O-CD 3.21Å; F359-R363 WeakPolarHBondContact O-CG 3.48Å; F359-R363 PolarHBondContact O-N 3.04Å; Q360-R363 PolarHBondContact O-N 3.46Å; R363-T365 PolarHBondContact O-N 3.15Å; R363-L366 CarbonylContact O-C 3.6Å; R363-L366 PolarHBondContact O-N 2.85Å; R363-S367 PolarHBondContact O-N 3.07Å; R363-S367 PolarHBondContact O-OG 2.85Å
364K94.1Very high82.9Confident181 Ų18184 Ų8479%0.78743%0.429SS*.Hα-helixtrans-54.9-39.3178.3-175178.4179.3-179.60112.2Q360 M361 A362Q360-K364 PolarHBondContact O-N 2.98Å; M361-K364 PolarHBondContact O-N 3.04Å; A362-K364 PolarHBondContact O-N 3.14Å
365T94.6Very high81.4Confident53 Ų5378 Ų7833%0.32540%0.397SS..Hα-helixtrans-69.8-35.3178-53.20000112.2H340 L344 M361 A362 R363H340-T365 HydrophobicContact CB-CG2 4.37Å; H340-T365 PolarHBondContact CD2-O 3Å; L344-T365 HydrophobicContact CB-CG2 4.19Å; L344-T365 HydrophobicContact CD2-CG2 4.21Å; M361-T365 PolarHBondContact O-N 2.8Å; M361-T365 PolarHBondContact O-OG1 3.31Å; A362-T365 WeakPolarHBondContact O-CB 3.27Å; A362-T365 PolarHBondContact O-N 2.82Å; R363-T365 PolarHBondContact O-N 3.15Å
366L94.8Very high79.8Confident3 Ų374.1 Ų74.12%0.01638%0.378CS..Hα-helixtrans-85.6-21.9-177.7-67.4170.2000114.1I207 C210 L211 F290 M294 V341 L344 A362 R363 N368I207-L366 HydrophobicContact CG2-CD2 4.14Å; C210-L366 HydrophobicContact CB-CD1 4.06Å; C210-L366 HydrophobicContact CB-CD2 4.4Å; L211-L366 HydrophobicContact CB-CB 4.13Å; L211-L366 HydrophobicContact CD1-CB 4.04Å; F290-L366 HydrophobicContact CE1-CD1 4.35Å; F290-L366 HydrophobicContact CZ-CD1 3.91Å; M294-L366 HydrophobicContact CE-CD2 4.01Å; V341-L366 HydrophobicContact CG2-CD2 4.38Å; L344-L366 HydrophobicContact CD2-CD1 4.08Å; L344-L366 HydrophobicContact CD2-CD2 4.03Å; L344-L366 HydrophobicContact CD2-CG 3.79Å; A362-L366 WeakPolarHBondContact O-CG 3.49Å; A362-L366 PolarHBondContact O-N 3.29Å; R363-L366 CarbonylContact O-C 3.6Å; R363-L366 PolarHBondContact O-N 2.85Å; L366-N368 PolarHBondContact O-N 2.93Å
367S88.7Confident78Confident66 Ų6679.9 Ų79.946%0.46241%0.405SS..  trans-70.132.2-176.5-61.60000115.7R363 K369R363-S367 PolarHBondContact O-N 3.07Å; R363-S367 PolarHBondContact O-OG 2.85Å; S367-K369 PolarHBondContact O-N 2.75Å
368N66.3Low76.4Confident106 Ų10687 Ų8757%0.56743%0.431SS*.  trans-65.2133.8-176.8-141.5-13.1000111.7H340 L366 G370H340-N368 PolarHBondContact CE1-ND2 2.74Å; L366-N368 PolarHBondContact O-N 2.93Å; N368-G370 PolarHBondContact O-N 2.9Å
369K55.8Low74.7Confident216 Ų21686.2 Ų86.294%0.93942%0.424SS*.THydrogen-bonded Turntrans-66.713.1-161.1-72.1-174.1175.2-179.20117.5S367S367-K369 PolarHBondContact O-N 2.75Å
370G53.3Low72.6Confident60 Ų6090.1 Ų90.162%0.61946%0.458SS*.THydrogen-bonded Turntrans-106.1-9.2-172.900000116.7N368 S372N368-G370 PolarHBondContact O-N 2.9Å; G370-S372 PolarHBondContact O-N 3.21Å
371A53.7Low70.3Confident34 Ų3493.5 Ų93.528%0.28147%0.471SS..  trans-77.9118.9-175.400000111.6Q208 K373Q208-A371 HydrophobicContact CB-CB 4.37Å; A371-K373 PolarHBondContact O-N 3.23Å
372S53.3Low67.8Low74 Ų7491.5 Ų91.552%0.51746%0.459SS..  trans-66.3120.8172.31760000109.9G370 K374 W375G370-S372 PolarHBondContact O-N 3.21Å; S372-K374 PolarHBondContact O-N 3.34Å; S372-K374 PolarHBondContact OG-N 2.82Å; S372-W375 PolarHBondContact O-N 2.8Å
373K56.9Low64.7Low189 Ų189104 Ų10482%0.82251%0.514SS*.THydrogen-bonded Turntrans-57.7-5.8174.7-73.2-175.6177.3178.10114.1A371 Y376A371-K373 PolarHBondContact O-N 3.23Å; K373-Y376 WeakPolarHBondContact O-CE1 3.46Å
374K60.8Low63.1Low123 Ų123105 Ų10554%0.53552%0.523SS..THydrogen-bonded Turntrans-118.315.9-176-67.8-177.2178.3178.60114.2S372 Y376 Q377S372-K374 PolarHBondContact O-N 3.34Å; S372-K374 PolarHBondContact OG-N 2.82Å; K374-Y376 PolarHBondContact O-N 3.19Å; K374-Y376 VanDerWaalsContact O-N 3.08Å; K374-Q377 HydrophobicContact CB-CG 4.23Å; K374-Q377 WeakPolarHBondContact O-CB 3.4Å; K374-Q377 WeakPolarHBondContact O-CG 3.5Å; K374-Q377 PolarHBondContact O-N 2.83Å
375W64.1Low61.5Low6 Ų6100.9 Ų100.92%0.02351%0.509CS..G310 helixtrans-53.1-34.6-176.467.3-88.8000114.4L201 D205 I209 M237 S372 Q377 R378 F379L201-W375 HydrophobicContact CD2-CE3 4.16Å; L201-W375 HydrophobicContact CD2-CH2 4.28Å; L201-W375 HydrophobicContact CD2-CZ3 3.47Å; L201-W375 VanDerWaalsContact CD2-CZ3 3.47Å; D205-W375 HydrophobicContact CB-CD2 3.93Å; D205-W375 HydrophobicContact CB-CE3 3.63Å; D205-W375 HydrophobicContact CB-CG 4.39Å; D205-W375 HydrophobicContact CB-CZ3 4.13Å; D205-W375 WeakPolarHBondContact OD1-CB 3.29Å; I209-W375 HydrophobicContact CD1-CH2 3.87Å; I209-W375 HydrophobicContact CD1-CZ2 4.26Å; I209-W375 HydrophobicContact CG1-CH2 4.04Å; I209-W375 HydrophobicContact CG1-CZ2 3.92Å; M237-W375 HydrophobicContact CE-CH2 4.38Å; M237-W375 HydrophobicContact SD-CH2 4.42Å; S372-W375 PolarHBondContact O-N 2.8Å; W375-Q377 PolarHBondContact O-N 2.98Å; W375-Q377 VanDerWaalsContact O-N 3.13Å; W375-R378 PolarHBondContact O-N 2.83Å; W375-F379 AromaticContact CE3-CE2 3.58Å; W375-F379 HydrophobicContact CE3-CE2 3.58Å; W375-F379 HydrophobicContact CE3-CZ 4.33Å; W375-F379 HydrophobicContact CZ3-CD2 4.23Å; W375-F379 AromaticContact CZ3-CE2 3.36Å; W375-F379 HydrophobicContact CZ3-CE2 3.36Å; W375-F379 HydrophobicContact CZ3-CZ 4.03Å
376Y63.4Low59.7Low65 Ų65103.6 Ų103.626%0.25552%0.519SS..G310 helixtrans-64.1-16.6-179.862.1-95.9000114.5G240 K373 K374 R378 F379G240-Y376 VanDerWaalsContact CA-CG 3.42Å; K373-Y376 WeakPolarHBondContact O-CE1 3.46Å; K374-Y376 PolarHBondContact O-N 3.19Å; K374-Y376 VanDerWaalsContact O-N 3.08Å; Y376-R378 PolarHBondContact O-N 2.87Å; Y376-R378 VanDerWaalsContact O-N 3.14Å; Y376-F379 WeakPolarHBondContact O-CD2 3.4Å; Y376-F379 PolarHBondContact O-N 3.07Å
377Q61.9Low57.6Low126 Ų126109.5 Ų109.559%0.58955%0.549SS*.G310 helixtrans-64.5-15.8177.8-66.3-175.8-26.300112.8K374 W375 F379K374-Q377 HydrophobicContact CB-CG 4.23Å; K374-Q377 WeakPolarHBondContact O-CB 3.4Å; K374-Q377 WeakPolarHBondContact O-CG 3.5Å; K374-Q377 PolarHBondContact O-N 2.83Å; W375-Q377 PolarHBondContact O-N 2.98Å; W375-Q377 VanDerWaalsContact O-N 3.13Å; Q377-F379 VanDerWaalsContact C-N 3.31Å
378R63.2Low55.7Low167 Ų167112.3 Ų112.363%0.6355%0.554SS**G310 helixtrans-74.7-17.3177.2-64.3176.9179.1165.5-1.9113.8W375 Y376W375-R378 PolarHBondContact O-N 2.83Å; Y376-R378 PolarHBondContact O-N 2.87Å; Y376-R378 VanDerWaalsContact O-N 3.14Å
379F62.6Low54.9Low15 Ų15112.7 Ų112.77%0.06655%0.554CS.*SBendtrans-87.3120.4177.1-55.5-74.5000108.3H193 N197 K200 L201 W375 Y376 Q377 K381H193-F379 AromaticContact CE1-CD1 3.96Å; N197-F379 HydrophobicContact CB-CD1 4.31Å; N197-F379 HydrophobicContact CB-CE1 3.74Å; K200-F379 HydrophobicContact CB-CE1 3.87Å; K200-F379 HydrophobicContact CB-CZ 4.46Å; K200-F379 HydrophobicContact CD-CE1 4.37Å; L201-F379 HydrophobicContact CD2-CE1 4.35Å; L201-F379 HydrophobicContact CD2-CE2 4.12Å; L201-F379 HydrophobicContact CD2-CZ 3.49Å; L201-F379 VanDerWaalsContact CD2-CZ 3.49Å; L201-F379 HydrophobicContact CG-CZ 4.06Å; W375-F379 AromaticContact CE3-CE2 3.58Å; W375-F379 HydrophobicContact CE3-CE2 3.58Å; W375-F379 HydrophobicContact CE3-CZ 4.33Å; W375-F379 HydrophobicContact CZ3-CD2 4.23Å; W375-F379 AromaticContact CZ3-CE2 3.36Å; W375-F379 HydrophobicContact CZ3-CE2 3.36Å; W375-F379 HydrophobicContact CZ3-CZ 4.03Å; Y376-F379 WeakPolarHBondContact O-CD2 3.4Å; Y376-F379 PolarHBondContact O-N 3.07Å; Q377-F379 VanDerWaalsContact C-N 3.31Å; F379-K381 PolarHBondContact O-N 3.06Å
380A52.6Low54.9Low90 Ų90105.3 Ų105.374%0.74453%0.526SS*.  trans-45.4137.7178.800000110.5F382A380-F382 PolarHBondContact O-N 3.44Å; A380-F382 VanDerWaalsContact O-N 3.12Å
381K46.9Very low55Low189 Ų189108.8 Ų108.882%0.82252%0.519SS*.  trans-34.5116.7-173.5-81.3-178.7175.8176.70111.3F379 K383F379-K381 PolarHBondContact O-N 3.06Å; K381-K383 PolarHBondContact O-N 3.41Å
382F44.1Very low55.1Low73 Ų73115 Ų11532%0.3254%0.539SS..  trans-33.192.4166.1-52.4-93.5000110.6D187 Y188 A380D187-F382 HydrophobicContact CB-CD1 3.63Å; D187-F382 HydrophobicContact CB-CE1 4.28Å; D187-F382 WeakPolarHBondContact OD2-CD1 3.33Å; D187-F382 WeakPolarHBondContact OD2-CE1 3.28Å; Y188-F382 HydrophobicContact CD2-CD1 4.22Å; Y188-F382 HydrophobicContact CD2-CE1 4.27Å; Y188-F382 AromaticContact CE2-CD1 3.38Å; Y188-F382 HydrophobicContact CE2-CD1 3.38Å; Y188-F382 AromaticContact CE2-CE1 3.66Å; Y188-F382 HydrophobicContact CE2-CE1 3.66Å; Y188-F382 HydrophobicContact CE2-CG 4.47Å; A380-F382 PolarHBondContact O-N 3.44Å; A380-F382 VanDerWaalsContact O-N 3.12Å
383K31.3Very low55.3Low263 Ų263118.7 Ų118.7100%1.14354%0.541SS*.  trans-1040171.9-86.4-166177.5-174.10108.8K381K381-K383 PolarHBondContact O-N 3.41Å

Retrieved 383 of 383 residues in 210.6 ms (Link to these results)

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