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GPN-loop GTPase 3

Small GTPase involved in the correct assembly of RNA polymerase II (RNAPII) complex, ensuring proper nuclear import of RNAPII. Small GTPase involved in the correct assembly of RNA polymerase II complex, ensuring their proper nuclear import of RNAPII.

AlphaFold DB , UniProt , Accession G4LWM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 301 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
1M80.2Confident94.3Very high94 Ų9412.7 Ų12.746%0.4637%0.068SC..  0135.40-172.5176.7178.800106.2F4 E268 V269M1-F4 HydrophobicContact CE-CE2 4.23Å; M1-E268 HydrophobicContact CE-CB 4.37Å; M1-E268 WeakPolarHBondContact CE-O 3.48Å; M1-V269 VanDerWaalsContact CE-CA 3.49Å; M1-V269 HydrophobicContact CE-CB 3.96Å; M1-V269 HydrophobicContact CE-CG2 3.36Å
2P90.2Very high94.1Very high5 Ų517.3 Ų17.33%0.03211%0.108CC..  trans-59.4149.5178.727.4-36000110.1F4 G100 D132 R134 E268P2-F4 HydrophobicContact CG-CE1 4.18Å; P2-F4 HydrophobicContact CG-CE2 4.38Å; P2-F4 HydrophobicContact CG-CZ 3.79Å; P2-F4 WeakPolarHBondContact O-CE2 3.22Å; P2-G100 WeakPolarHBondContact O-CA 3.37Å; P2-D132 WeakPolarHBondContact CA-O 3.35Å; P2-D132 WeakPolarHBondContact CB-O 3.36Å; P2-R134 HydrophobicContact CB-CG 4.09Å; P2-E268 HydrophobicContact CG-CG 4.12Å
3R94.1Very high93.9Very high4 Ų420.3 Ų20.32%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-87.6142.7170-64.2179.278.5163.69.4108.8L95 G96 I98 D101 D132 F133 R134R3-L95 PolarHBondContact NH2-O 2.81Å; R3-G96 PolarHBondContact NH1-O 3Å; R3-I98 PolarHBondContact NE-O 3.11Å; R3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R3-D101 WeakPolarHBondContact CD-OD1 3.37Å; R3-D101 WeakPolarHBondContact CG-OD1 3.5Å; R3-D101 IonicContact CZ-OD1 2.89Å; R3-D101 IonicContact CZ-OD2 3.84Å; R3-D101 VanDerWaalsContact NE-CG 3.29Å; R3-D101 IonicContact NE-OD1 3.33Å; R3-D101 PolarHBondContact NE-OD1 3.15Å; R3-D101 IonicContact NE-OD2 3.23Å; R3-D101 PolarHBondContact NE-OD2 3.46Å; R3-D101 IonicContact NH2-OD1 2.68Å; R3-D101 IonicContact NH2-OD2 3.35Å; R3-D101 PolarHBondContact NH2-OD2 3.2Å; R3-D132 PolarHBondContact N-O 2.83Å; R3-F133 HydrophobicContact CB-CD1 3.56Å; R3-F133 HydrophobicContact CB-CD2 4.1Å; R3-F133 HydrophobicContact CB-CE1 3.44Å; R3-F133 VanDerWaalsContact CB-CE1 3.44Å; R3-F133 HydrophobicContact CB-CE2 3.99Å; R3-F133 HydrophobicContact CB-CG 3.89Å; R3-F133 HydrophobicContact CB-CZ 3.66Å; R3-F133 HydrophobicContact CG-CE2 4.43Å; R3-F133 HydrophobicContact CG-CZ 4.28Å; R3-F133 VanDerWaalsContact NE-CZ 3.28Å; R3-F133 CarbonylContact O-C 3.57Å; R3-F133 VanDerWaalsContact O-CA 3.28Å; R3-F133 WeakPolarHBondContact O-CA 3.41Å; R3-R134 PolarHBondContact O-N 3.27Å
4F96.4Very high93.9Very high0 Ų019 Ų190%014%0.136CC..EExtended strand (participates in β ladder)trans-109.5137.5-175.6-60.5-79.5000110.5M1 P2 D101 Y102 L103 R134 L263 Y265 E268 V269M1-F4 HydrophobicContact CE-CE2 4.23Å; P2-F4 HydrophobicContact CG-CE1 4.18Å; P2-F4 HydrophobicContact CG-CE2 4.38Å; P2-F4 HydrophobicContact CG-CZ 3.79Å; P2-F4 WeakPolarHBondContact O-CE2 3.22Å; F4-D101 PolarHBondContact N-O 3.27Å; F4-Y102 HydrophobicContact CB-CD2 3.39Å; F4-Y102 HydrophobicContact CB-CE2 3.72Å; F4-Y102 HydrophobicContact CB-CG 4.12Å; F4-Y102 HydrophobicContact CD2-CD2 4.41Å; F4-Y102 HydrophobicContact CG-CD2 4.11Å; F4-Y102 HydrophobicContact CG-CE2 4.41Å; F4-Y102 WeakPolarHBondContact O-CA 3.28Å; F4-L103 PolarHBondContact O-N 3.4Å; F4-R134 HydrophobicContact CD1-CB 4.33Å; F4-L263 HydrophobicContact CB-CD1 4.37Å; F4-L263 HydrophobicContact CD1-CB 4Å; F4-L263 HydrophobicContact CD1-CD1 4.5Å; F4-L263 HydrophobicContact CE1-CB 4.45Å; F4-Y265 HydrophobicContact CB-CD2 4.49Å; F4-Y265 HydrophobicContact CD1-CD2 4.16Å; F4-Y265 AromaticContact CD2-CD2 3.58Å; F4-Y265 HydrophobicContact CD2-CD2 3.58Å; F4-Y265 AromaticContact CD2-CE2 3.86Å; F4-Y265 HydrophobicContact CD2-CE2 3.86Å; F4-Y265 HydrophobicContact CE1-CD2 4.25Å; F4-Y265 AromaticContact CE2-CD2 3.69Å; F4-Y265 HydrophobicContact CE2-CD2 3.69Å; F4-Y265 HydrophobicContact CE2-CE2 4.07Å; F4-Y265 AromaticContact CG-CD2 3.81Å; F4-Y265 HydrophobicContact CG-CD2 3.81Å; F4-Y265 HydrophobicContact CG-CE2 4.41Å; F4-Y265 HydrophobicContact CZ-CD2 4.02Å; F4-E268 HydrophobicContact CZ-CB 3.96Å; F4-E268 HydrophobicContact CZ-CG 4.27Å; F4-V269 HydrophobicContact CE2-CG2 4.36Å
5A97.2Very high93.9Very high0 Ų019 Ų190%014%0.14CC..EExtended strand (participates in β ladder)trans-140.6134.8-177.600000112.8L103 F105 F133 R134 F135 V136A5-L103 CarbonylContact C-O 3.59Å; A5-L103 VanDerWaalsContact CA-O 3.29Å; A5-L103 WeakPolarHBondContact CA-O 3.47Å; A5-F105 HydrophobicContact CB-CD2 3.99Å; A5-F105 HydrophobicContact CB-CE2 3.65Å; A5-F133 HydrophobicContact CB-CD1 3.64Å; A5-F133 HydrophobicContact CB-CE1 3.97Å; A5-R134 PolarHBondContact N-O 2.87Å; A5-F135 HydrophobicContact CB-CD1 3.44Å; A5-F135 VanDerWaalsContact CB-CD1 3.44Å; A5-F135 HydrophobicContact CB-CE1 3.37Å; A5-F135 HydrophobicContact CB-CG 4.18Å; A5-F135 HydrophobicContact CB-CZ 4.06Å; A5-F135 WeakPolarHBondContact O-CA 3.43Å; A5-V136 PolarHBondContact O-N 3.07Å
6Q98.3Very high94.1Very high0 Ų018.6 Ų18.60%013%0.134CC..EExtended strand (participates in β ladder)trans-99.4118.9162.6-59.1-177.520.900108.8V8 Y19 Y102 L103 L104 F105 V136 I138 I259Q6-V8 HydrophobicContact CB-CG2 4.42Å; Q6-Y19 PolarHBondContact OE1-OH 2.98Å; Q6-Y102 HydrophobicContact CG-CE1 3.88Å; Q6-Y102 VanDerWaalsContact NE2-CE1 3.33Å; Q6-Y102 PolarHBondContact NE2-OH 3.24Å; Q6-L103 PolarHBondContact N-O 3.48Å; Q6-L104 HydrophobicContact CB-CD2 3.68Å; Q6-L104 HydrophobicContact CG-CD2 3.7Å; Q6-F105 PolarHBondContact O-N 3.02Å; Q6-V136 CarbonylContact C-O 3.49Å; Q6-V136 WeakPolarHBondContact CA-O 3.41Å; Q6-V136 HydrophobicContact CG-CG1 4.06Å; Q6-I138 HydrophobicContact CB-CG1 4.02Å; Q6-I138 HydrophobicContact CG-CG1 4.38Å; Q6-I259 HydrophobicContact CG-CG2 4.12Å
7L97.8Very high94.2Very high3 Ų319.5 Ų19.52%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-91.9103.4172.3-171.573.9000108.9I9 F105 C107 M120 I124 F135 V136 T137 I138 L166L7-I9 HydrophobicContact CD2-CG2 4.34Å; L7-I9 HydrophobicContact CG-CG2 4.04Å; L7-F105 HydrophobicContact CD1-CB 3.9Å; L7-F105 HydrophobicContact CD1-CG 4.5Å; L7-C107 WeakPolarHBondContact CD1-SG 3.01Å; L7-M120 HydrophobicContact CD1-CE 3.81Å; L7-M120 HydrophobicContact CD2-CE 4.41Å; L7-I124 HydrophobicContact CD2-CD1 3.6Å; L7-I124 HydrophobicContact CD2-CG1 4.27Å; L7-F135 HydrophobicContact CB-CD1 4.26Å; L7-V136 PolarHBondContact N-O 3.43Å; L7-T137 CarbonylContact O-C 3.49Å; L7-T137 WeakPolarHBondContact O-CA 3.39Å; L7-I138 PolarHBondContact O-N 3.02Å; L7-L166 HydrophobicContact CD2-CD1 3.98Å
8V97.9Very high94.3Very high0 Ų021.9 Ų21.90%015%0.154CC..EExtended strand (participates in β ladder)trans-91.7111.1-172.4-171.70000109.6Q6 K16 Y19 F105 C107 I138 I140Q6-V8 HydrophobicContact CB-CG2 4.42Å; V8-K16 HydrophobicContact CG1-CB 3.87Å; V8-K16 HydrophobicContact CG1-CG 4.02Å; V8-Y19 HydrophobicContact CB-CD1 4.4Å; V8-Y19 HydrophobicContact CG1-CD1 3.7Å; V8-Y19 HydrophobicContact CG1-CE1 4.27Å; V8-Y19 HydrophobicContact CG1-CG 4.49Å; V8-Y19 HydrophobicContact CG2-CD1 3.75Å; V8-Y19 HydrophobicContact CG2-CE1 3.66Å; V8-F105 WeakPolarHBondContact CB-O 3.48Å; V8-F105 PolarHBondContact N-O 3.49Å; V8-C107 VanDerWaalsContact O-CB 3.27Å; V8-C107 WeakPolarHBondContact O-CB 3.49Å; V8-C107 PolarHBondContact O-N 3.33Å; V8-I138 HydrophobicContact CG2-CB 4.46Å; V8-I140 HydrophobicContact CG1-CD1 3.54Å; V8-I140 HydrophobicContact CG1-CG1 4.28Å
9I96.7Very high94.4Very high0 Ų021.1 Ų21.10%015%0.147CC..EExtended strand (participates in β ladder)trans-130.4165.7-176.469171.3000111.2L7 C107 Y114 T137 I138 F139 I140 A162 L166L7-I9 HydrophobicContact CD2-CG2 4.34Å; L7-I9 HydrophobicContact CG-CG2 4.04Å; I9-C107 HydrophobicContact CG2-CB 4.02Å; I9-Y114 HydrophobicContact CB-CD1 4.44Å; I9-Y114 HydrophobicContact CB-CD2 4.2Å; I9-Y114 HydrophobicContact CB-CE1 4.27Å; I9-Y114 HydrophobicContact CB-CE2 4.04Å; I9-Y114 HydrophobicContact CB-CG 4.41Å; I9-Y114 HydrophobicContact CD1-CD1 4.49Å; I9-Y114 HydrophobicContact CD1-CD2 4.48Å; I9-Y114 HydrophobicContact CD1-CG 4.18Å; I9-Y114 HydrophobicContact CG2-CD1 3.84Å; I9-Y114 HydrophobicContact CG2-CD2 4.45Å; I9-Y114 HydrophobicContact CG2-CE1 3.53Å; I9-Y114 HydrophobicContact CG2-CE2 4.19Å; I9-Y114 HydrophobicContact CG2-CG 4.3Å; I9-T137 HydrophobicContact CD1-CG2 3.36Å; I9-T137 HydrophobicContact CG1-CG2 3.54Å; I9-I138 PolarHBondContact N-O 2.78Å; I9-I138 VanDerWaalsContact O-O 3.1Å; I9-F139 HydrophobicContact CD1-CD2 3.77Å; I9-F139 HydrophobicContact CD1-CE2 4.48Å; I9-F139 HydrophobicContact CG1-CB 4.38Å; I9-F139 HydrophobicContact CG1-CD2 3.75Å; I9-F139 WeakPolarHBondContact O-CA 3.31Å; I9-I140 PolarHBondContact O-N 3.25Å; I9-A162 HydrophobicContact CD1-CB 3.84Å; I9-L166 HydrophobicContact CD1-CD1 3.66Å
10G94.4Very high94.6Very high0 Ų020 Ų200%014%0.14CC..  trans144.7169.3177.800000112.3K16G10-K16 PolarHBondContact O-NZ 2.67Å
11P93.6Very high94.7Very high34 Ų3419.8 Ų19.822%0.22114%0.138CC..SBendtrans-54.9159.4-174.8-24.733.8000114.5G13 C14 K16 G109 I111 I140 L141P11-G13 PolarHBondContact O-N 2.98Å; P11-C14 WeakPolarHBondContact O-CB 3.48Å; P11-C14 PolarHBondContact O-N 3.14Å; P11-C14 VanDerWaalsContact O-N 3.13Å; P11-C14 PolarHBondContact O-SG 3.22Å; P11-K16 PolarHBondContact O-NZ 3.36Å; P11-G109 CarbonylContact C-O 3.57Å; P11-G109 WeakPolarHBondContact CA-O 3.32Å; P11-I111 HydrophobicContact CB-CG2 4.25Å; P11-I111 HydrophobicContact CG-CG2 3.87Å; P11-I140 WeakPolarHBondContact CD-O 3.28Å; P11-L141 HydrophobicContact CG-CD2 3.75Å
12A92.4Very high95.4Very high67 Ų6716.8 Ų16.855%0.55413%0.125SC*.THydrogen-bonded Turntrans-56.2135.9175.500000110.4C14 G109A12-C14 PolarHBondContact O-N 2.89Å; A12-G109 PolarHBondContact N-O 3.38Å
13G92Very high95.7Very high57 Ų5716.6 Ų16.659%0.58812%0.124SC*.THydrogen-bonded Turntrans69.67.3-179.800000115.5P11 G15 K176P11-G13 PolarHBondContact O-N 2.98Å; G13-G15 PolarHBondContact O-N 2.91Å; G13-K176 WeakPolarHBondContact O-CE 3.44Å; G13-K176 PolarHBondContact O-NZ 3.43Å
14C93.7Very high95.8Very high2 Ų218.1 Ų18.11%0.01413%0.131CC..SBendtrans-69.7-1717671.30000113.6P11 A12 I140 S175P11-C14 WeakPolarHBondContact O-CB 3.48Å; P11-C14 PolarHBondContact O-N 3.14Å; P11-C14 VanDerWaalsContact O-N 3.13Å; P11-C14 PolarHBondContact O-SG 3.22Å; A12-C14 PolarHBondContact O-N 2.89Å; C14-I140 HydrophobicContact CB-CG2 4.14Å; C14-I140 PolarHBondContact SG-O 3.45Å; C14-S175 PolarHBondContact O-OG 2.6Å
15G94.2Very high95.8Very high19 Ų1920.5 Ų20.520%0.19615%0.151CC..SBendtrans104.631.4176.800000115G13 T18 Y19G13-G15 PolarHBondContact O-N 2.91Å; G15-T18 PolarHBondContact O-N 3.02Å; G15-Y19 WeakPolarHBondContact O-CB 3.36Å; G15-Y19 PolarHBondContact O-N 3.13Å
16K96.2Very high95.7Very high12 Ų1220.8 Ų20.85%0.05215%0.153CC..Hα-helixtrans-58.3-53.4175.7-61.7179.1-68-63.90113.2V8 G10 P11 T18 Y19 C20 D106 C107 G109 I140V8-K16 HydrophobicContact CG1-CB 3.87Å; V8-K16 HydrophobicContact CG1-CG 4.02Å; G10-K16 PolarHBondContact O-NZ 2.67Å; P11-K16 PolarHBondContact O-NZ 3.36Å; K16-T18 VanDerWaalsContact C-N 3.29Å; K16-T18 PolarHBondContact O-N 2.68Å; K16-Y19 WeakPolarHBondContact O-CA 2.93Å; K16-Y19 VanDerWaalsContact O-CB 3.26Å; K16-Y19 WeakPolarHBondContact O-CB 3.48Å; K16-Y19 PolarHBondContact O-N 3.41Å; K16-C20 PolarHBondContact O-N 3.18Å; K16-C20 PolarHBondContact O-SG 3.16Å; K16-D106 VanDerWaalsContact CB-OD1 3.29Å; K16-D106 WeakPolarHBondContact CB-OD1 3.48Å; K16-C107 WeakPolarHBondContact CD-O 3.4Å; K16-C107 WeakPolarHBondContact CE-O 3.26Å; K16-G109 VanDerWaalsContact NZ-CA 3.27Å; K16-I140 HydrophobicContact CG-CD1 4.46Å
17S96.4Very high95.5Very high35 Ų3520.8 Ų20.825%0.24515%0.153CC..Hα-helixtrans-63.7-36.4178.9-44.70000112.6C20 S21 D106S17-C20 PolarHBondContact O-N 3.33Å; S17-S21 PolarHBondContact O-N 2.92Å; S17-S21 PolarHBondContact O-OG 2.72Å; S17-D106 WeakPolarHBondContact CA-OD2 3.39Å; S17-D106 WeakPolarHBondContact CB-OD2 3.39Å; S17-D106 PolarHBondContact OG-OD2 2.79Å
18T95.2Very high95.3Very high62 Ų6227.8 Ų27.838%0.3819%0.185SC..Hα-helixtrans-64.3-40.8172.1-51.20000111.5G15 K16 S21 T22G15-T18 PolarHBondContact O-N 3.02Å; K16-T18 VanDerWaalsContact C-N 3.29Å; K16-T18 PolarHBondContact O-N 2.68Å; T18-S21 PolarHBondContact O-N 3.23Å; T18-S21 PolarHBondContact O-OG 2.87Å; T18-T22 VanDerWaalsContact O-CB 3.31Å; T18-T22 WeakPolarHBondContact O-CB 2.94Å; T18-T22 PolarHBondContact O-N 2.78Å; T18-T22 PolarHBondContact O-OG1 3.14Å
19Y97.1Very high95.1Very high6 Ų632.9 Ų32.92%0.02422%0.217CC..Hα-helixtrans-59.9-46.7173.5169.8-95.7000111.5Q6 V8 G15 K16 S21 T22 M23 I138 I140 L244 L255 I259Q6-Y19 PolarHBondContact OE1-OH 2.98Å; V8-Y19 HydrophobicContact CB-CD1 4.4Å; V8-Y19 HydrophobicContact CG1-CD1 3.7Å; V8-Y19 HydrophobicContact CG1-CE1 4.27Å; V8-Y19 HydrophobicContact CG1-CG 4.49Å; V8-Y19 HydrophobicContact CG2-CD1 3.75Å; V8-Y19 HydrophobicContact CG2-CE1 3.66Å; G15-Y19 WeakPolarHBondContact O-CB 3.36Å; G15-Y19 PolarHBondContact O-N 3.13Å; K16-Y19 WeakPolarHBondContact O-CA 2.93Å; K16-Y19 VanDerWaalsContact O-CB 3.26Å; K16-Y19 WeakPolarHBondContact O-CB 3.48Å; K16-Y19 PolarHBondContact O-N 3.41Å; Y19-S21 PolarHBondContact O-N 2.92Å; Y19-T22 PolarHBondContact O-N 3.33Å; Y19-M23 HydrophobicContact CE2-CE 3.86Å; Y19-M23 VanDerWaalsContact O-CB 3.24Å; Y19-M23 WeakPolarHBondContact O-CB 3.14Å; Y19-M23 PolarHBondContact O-N 2.93Å; Y19-M23 WeakPolarHBondContact OH-CE 3.34Å; Y19-I138 HydrophobicContact CE1-CB 4.49Å; Y19-I138 HydrophobicContact CE1-CG1 4.42Å; Y19-I138 HydrophobicContact CE1-CG2 4.13Å; Y19-I138 HydrophobicContact CE2-CG2 4.43Å; Y19-I140 VanDerWaalsContact CB-CD1 3.46Å; Y19-I140 HydrophobicContact CD1-CD1 3.95Å; Y19-I140 HydrophobicContact CD2-CD1 4.1Å; Y19-I140 HydrophobicContact CG-CD1 3.55Å; Y19-L244 HydrophobicContact CD2-CD2 3.59Å; Y19-L244 HydrophobicContact CE2-CD2 4.18Å; Y19-L255 HydrophobicContact CE2-CD2 3.67Å; Y19-I259 VanDerWaalsContact OH-CD1 3.22Å; Y19-I259 WeakPolarHBondContact OH-CD1 3.48Å
20C97.5Very high94.9Very high0 Ų036.5 Ų36.50%024%0.236CC..Hα-helixtrans-60.8-44.8178.7-65.80000112.1K16 S17 Q24 V36 Y48 L104K16-C20 PolarHBondContact O-N 3.18Å; K16-C20 PolarHBondContact O-SG 3.16Å; S17-C20 PolarHBondContact O-N 3.33Å; C20-Q24 VanDerWaalsContact O-CB 3.28Å; C20-Q24 WeakPolarHBondContact O-CB 3.22Å; C20-Q24 PolarHBondContact O-N 3.13Å; C20-V36 HydrophobicContact CB-CG1 3.96Å; C20-V36 HydrophobicContact CB-CG2 4.38Å; C20-Y48 HydrophobicContact CB-CD1 4.02Å; C20-Y48 HydrophobicContact CB-CE1 3.81Å; C20-L104 HydrophobicContact CB-CD1 4.43Å
21S96.3Very high94.8Very high15 Ų1545.4 Ų45.411%0.10527%0.269CS..Hα-helixtrans-65.8-43.917761.20000112.3S17 T18 Y19 Q24 A25S17-S21 PolarHBondContact O-N 2.92Å; S17-S21 PolarHBondContact O-OG 2.72Å; T18-S21 PolarHBondContact O-N 3.23Å; T18-S21 PolarHBondContact O-OG 2.87Å; Y19-S21 PolarHBondContact O-N 2.92Å; S21-Q24 PolarHBondContact O-N 3.17Å; S21-A25 WeakPolarHBondContact O-CB 3.12Å; S21-A25 PolarHBondContact O-N 2.97Å
22T95.8Very high94.6Very high31 Ų3145.2 Ų45.219%0.1926%0.264CS..Hα-helixtrans-62.4-45.6177.5-63.80000111.8T18 Y19 A25 H26 I252T18-T22 VanDerWaalsContact O-CB 3.31Å; T18-T22 WeakPolarHBondContact O-CB 2.94Å; T18-T22 PolarHBondContact O-N 2.78Å; T18-T22 PolarHBondContact O-OG1 3.14Å; Y19-T22 PolarHBondContact O-N 3.33Å; T22-A25 PolarHBondContact O-N 2.85Å; T22-H26 WeakPolarHBondContact O-CB 3.4Å; T22-H26 PolarHBondContact O-N 3.33Å; T22-I252 HydrophobicContact CG2-CD1 3.34Å; T22-I252 HydrophobicContact CG2-CG1 4Å
23M97Very high94.6Very high1 Ų148.9 Ų48.91%0.00527%0.267CS..Hα-helixtrans-66.5-42.6179.6-174.658.172.900111.7Y19 H26 C27 L104 I252 L256 I259Y19-M23 HydrophobicContact CE2-CE 3.86Å; Y19-M23 VanDerWaalsContact O-CB 3.24Å; Y19-M23 WeakPolarHBondContact O-CB 3.14Å; Y19-M23 PolarHBondContact O-N 2.93Å; Y19-M23 WeakPolarHBondContact OH-CE 3.34Å; M23-H26 PolarHBondContact O-N 3.49Å; M23-C27 WeakPolarHBondContact O-CB 3.38Å; M23-C27 PolarHBondContact O-N 3.35Å; M23-C27 PolarHBondContact O-SG 3.16Å; M23-C27 VanDerWaalsContact O-SG 3.4Å; M23-L104 HydrophobicContact CB-CD1 3.86Å; M23-L104 HydrophobicContact CG-CD1 3.89Å; M23-L104 HydrophobicContact CG-CD2 4.41Å; M23-I252 HydrophobicContact CE-CG2 4.15Å; M23-I252 HydrophobicContact SD-CG2 4.31Å; M23-L256 HydrophobicContact CE-CB 4.39Å; M23-L256 HydrophobicContact SD-CB 4.31Å; M23-L256 HydrophobicContact SD-CD1 3.92Å; M23-L256 HydrophobicContact SD-CD2 4.39Å; M23-L256 HydrophobicContact SD-CG 4.44Å; M23-I259 HydrophobicContact CE-CD1 4.39Å
24Q96.2Very high94.8Very high36 Ų3646.5 Ų46.517%0.16824%0.242CC..Hα-helixtrans-60.4-48.8176.3-176.817751.500111.6C20 S21 H26 C27 E28 V34 V36 Y48C20-Q24 VanDerWaalsContact O-CB 3.28Å; C20-Q24 WeakPolarHBondContact O-CB 3.22Å; C20-Q24 PolarHBondContact O-N 3.13Å; S21-Q24 PolarHBondContact O-N 3.17Å; Q24-H26 VanDerWaalsContact C-N 3.32Å; Q24-H26 PolarHBondContact O-N 2.9Å; Q24-C27 PolarHBondContact O-N 3Å; Q24-E28 PolarHBondContact O-N 3.35Å; Q24-V34 PolarHBondContact NE2-O 3.21Å; Q24-V34 VanDerWaalsContact NE2-O 3.13Å; Q24-V36 HydrophobicContact CB-CG2 4.18Å; Q24-V36 HydrophobicContact CG-CG2 4.45Å; Q24-Y48 VanDerWaalsContact OE1-CB 3.25Å
25A95Very high94.9Very high51 Ų5147.9 Ų47.942%0.42125%0.249SC..Hα-helixtrans-62.9-37.817900000112.6S21 T22 E28 T29S21-A25 WeakPolarHBondContact O-CB 3.12Å; S21-A25 PolarHBondContact O-N 2.97Å; T22-A25 PolarHBondContact O-N 2.85Å; A25-E28 PolarHBondContact O-N 2.89Å; A25-T29 PolarHBondContact O-N 2.83Å; A25-T29 VanDerWaalsContact O-N 3.13Å; A25-T29 PolarHBondContact O-OG1 3.07Å
26H95.7Very high95.1Very high6 Ų647 Ų473%0.02824%0.24CC..Hα-helixtrans-63.1-49174-179.468.5000111.4T22 M23 Q24 E28 T29 L30 E249 I252 T253T22-H26 WeakPolarHBondContact O-CB 3.4Å; T22-H26 PolarHBondContact O-N 3.33Å; M23-H26 PolarHBondContact O-N 3.49Å; Q24-H26 VanDerWaalsContact C-N 3.32Å; Q24-H26 PolarHBondContact O-N 2.9Å; H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 3.37Å; H26-T29 WeakPolarHBondContact O-CB 3.37Å; H26-T29 PolarHBondContact O-N 3.11Å; H26-T29 VanDerWaalsContact O-N 3.15Å; H26-L30 PolarHBondContact O-N 3.32Å; H26-L30 VanDerWaalsContact O-N 3.09Å; H26-E249 IonicContact CE1-OE1 2.89Å; H26-E249 PolarHBondContact CE1-OE1 3.28Å; H26-E249 VanDerWaalsContact CE1-OE1 3.27Å; H26-E249 IonicContact CG-OE1 3.15Å; H26-E249 VanDerWaalsContact ND1-CD 3.27Å; H26-E249 IonicContact ND1-OE1 3.18Å; H26-E249 PolarHBondContact ND1-OE1 3.29Å; H26-E249 IonicContact ND1-OE2 2.66Å; H26-I252 HydrophobicContact CB-CG2 3.79Å; H26-T253 PolarHBondContact CE1-OG1 2.87Å
27C94.8Very high95.2Very high0 Ų046.4 Ų46.40%024%0.237CC..Hα-helixtrans-62.7-37.6177.4-71.60000112.7M23 Q24 T29 L30 R31 R32 V34M23-C27 WeakPolarHBondContact O-CB 3.38Å; M23-C27 PolarHBondContact O-N 3.35Å; M23-C27 PolarHBondContact O-SG 3.16Å; M23-C27 VanDerWaalsContact O-SG 3.4Å; Q24-C27 PolarHBondContact O-N 3Å; C27-T29 VanDerWaalsContact C-N 3.3Å; C27-T29 PolarHBondContact O-N 3.43Å; C27-L30 CarbonylContact O-C 3.59Å; C27-L30 WeakPolarHBondContact O-CA 3.12Å; C27-L30 WeakPolarHBondContact O-CB 3.41Å; C27-L30 PolarHBondContact O-N 3.26Å; C27-R31 PolarHBondContact O-N 3.43Å; C27-R31 VanDerWaalsContact O-N 3.11Å; C27-R32 CarbonylContact C-O 3.57Å; C27-R32 HydrophobicContact CB-CB 4.17Å; C27-R32 WeakPolarHBondContact CB-O 3.33Å; C27-R32 PolarHBondContact O-N 3.48Å; C27-V34 HydrophobicContact CB-CB 4.06Å; C27-V34 HydrophobicContact CB-CG2 3.56Å
28E93.4Very high95.2Very high149 Ų14944.8 Ų44.870%0.69623%0.225SC*.Hα-helixtrans-59.6-42173.8-173.3176.5-171.300111.5Q24 A25 H26 L30 R31Q24-E28 PolarHBondContact O-N 3.35Å; A25-E28 PolarHBondContact O-N 2.89Å; H26-E28 VanDerWaalsContact C-N 3.33Å; H26-E28 PolarHBondContact O-N 3.37Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.96Å; E28-R31 WeakPolarHBondContact O-CA 3.48Å; E28-R31 PolarHBondContact O-N 3.27Å
29T93.6Very high95.3Very high108 Ų10842 Ų4266%0.66321%0.208SC*.Hα-helixtrans-61.9-34.8174.4-58.20000112A25 H26 C27 R31A25-T29 PolarHBondContact O-N 2.83Å; A25-T29 VanDerWaalsContact O-N 3.13Å; A25-T29 PolarHBondContact O-OG1 3.07Å; H26-T29 WeakPolarHBondContact O-CB 3.37Å; H26-T29 PolarHBondContact O-N 3.11Å; H26-T29 VanDerWaalsContact O-N 3.15Å; C27-T29 VanDerWaalsContact C-N 3.3Å; C27-T29 PolarHBondContact O-N 3.43Å; T29-R31 PolarHBondContact O-N 3.05Å
30L92.6Very high95.3Very high76 Ų7642.8 Ų42.840%0.39821%0.213SC..THydrogen-bonded Turntrans-77.8-1.8173.9-62.9178.9000113.8H26 C27 E28 R32 L256H26-L30 PolarHBondContact O-N 3.32Å; H26-L30 VanDerWaalsContact O-N 3.09Å; C27-L30 CarbonylContact O-C 3.59Å; C27-L30 WeakPolarHBondContact O-CA 3.12Å; C27-L30 WeakPolarHBondContact O-CB 3.41Å; C27-L30 PolarHBondContact O-N 3.26Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.96Å; L30-R32 PolarHBondContact O-N 3.12Å; L30-L256 HydrophobicContact CD1-CD2 3.88Å
31R91.3Very high95.2Very high187 Ų18742.8 Ų42.871%0.70621%0.213SC*.THydrogen-bonded Turntrans5831.8-170.2-54.7-178.3-179.5179.6-1.1113.1C27 E28 T29 D278C27-R31 PolarHBondContact O-N 3.43Å; C27-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 WeakPolarHBondContact O-CA 3.48Å; E28-R31 PolarHBondContact O-N 3.27Å; T29-R31 PolarHBondContact O-N 3.05Å; R31-D278 IonicContact NH1-OD1 3.23Å; R31-D278 PolarHBondContact NH1-OD1 3.16Å
32R91.4Very high95.1Very high30 Ų3044 Ų4411%0.11322%0.224CC..  trans-101.5121.1173.7-178.6-176.4-177.6170.11.3108.7C27 L30 V34 D260 Y265C27-R32 CarbonylContact C-O 3.57Å; C27-R32 HydrophobicContact CB-CB 4.17Å; C27-R32 WeakPolarHBondContact CB-O 3.33Å; C27-R32 PolarHBondContact O-N 3.48Å; L30-R32 PolarHBondContact O-N 3.12Å; R32-V34 HydrophobicContact CG-CG2 4.21Å; R32-V34 PolarHBondContact O-N 3Å; R32-D260 IonicContact CZ-OD1 3.89Å; R32-D260 IonicContact CZ-OD2 3.72Å; R32-D260 VanDerWaalsContact NH1-CG 3.29Å; R32-D260 IonicContact NH1-OD1 3.42Å; R32-D260 PolarHBondContact NH1-OD1 2.9Å; R32-D260 VanDerWaalsContact NH1-OD1 3.13Å; R32-D260 IonicContact NH1-OD2 3.57Å; R32-D260 PolarHBondContact NH1-OD2 3.04Å; R32-D260 IonicContact NH2-OD1 3.7Å; R32-D260 PolarHBondContact NH2-OD1 3.12Å; R32-D260 IonicContact NH2-OD2 2.72Å; R32-Y265 VanDerWaalsContact CZ-CE1 3.42Å; R32-Y265 PolarHBondContact NE-OH 3.27Å; R32-Y265 VanDerWaalsContact NH2-CD1 3.28Å; R32-Y265 VanDerWaalsContact NH2-CD2 3.34Å; R32-Y265 VanDerWaalsContact NH2-CE2 3.28Å; R32-Y265 VanDerWaalsContact NH2-CG 3.34Å
33K91.9Very high94.9Very high143 Ų14343 Ų4362%0.62222%0.219SC*.  trans-71.6121.6177.2-173.3179.1176.1-1660109.8D35K33-D35 WeakPolarHBondContact CE-OD2 3.27Å; K33-D35 IonicContact NZ-OD2 3.22Å
34V95.3Very high94.3Very high8 Ų851.9 Ų51.95%0.04826%0.26CS..  trans-136124.5174.51740000108.7Q24 C27 R32 Y102 L104Q24-V34 PolarHBondContact NE2-O 3.21Å; Q24-V34 VanDerWaalsContact NE2-O 3.13Å; C27-V34 HydrophobicContact CB-CB 4.06Å; C27-V34 HydrophobicContact CB-CG2 3.56Å; R32-V34 HydrophobicContact CG-CG2 4.21Å; R32-V34 PolarHBondContact O-N 3Å; V34-Y102 WeakPolarHBondContact CA-O 3.14Å; V34-Y102 HydrophobicContact CG1-CD1 4.07Å; V34-Y102 HydrophobicContact CG2-CD1 3.78Å; V34-Y102 HydrophobicContact CG2-CG 4.2Å; V34-L104 HydrophobicContact CG1-CD1 3.75Å; V34-L104 HydrophobicContact CG1-CD2 3.97Å; V34-L104 HydrophobicContact CG1-CG 3.5Å; V34-L104 VanDerWaalsContact CG1-CG 3.5Å
35D96.5Very high93.8Very high31 Ų3157.8 Ų57.817%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-106.9145179.7-67.2-50.3000110.1K33 L51 Y102 L103 L104K33-D35 WeakPolarHBondContact CE-OD2 3.27Å; K33-D35 IonicContact NZ-OD2 3.22Å; D35-L51 HydrophobicContact CB-CB 4.05Å; D35-L51 HydrophobicContact CB-CD2 3.95Å; D35-Y102 PolarHBondContact N-O 3.23Å; D35-Y102 VanDerWaalsContact N-O 3.08Å; D35-L103 HydrophobicContact CB-CD2 3.72Å; D35-L103 CarbonylContact O-C 3.54Å; D35-L103 WeakPolarHBondContact O-CA 3.29Å; D35-L104 PolarHBondContact O-N 2.9Å
36V97.7Very high93.4Very high0 Ų057 Ų570%027%0.273CS..EExtended strand (participates in β ladder)trans-106.4136.1179.4-172.60000109.7C20 Q24 Y48 P50 L51 L104C20-V36 HydrophobicContact CB-CG1 3.96Å; C20-V36 HydrophobicContact CB-CG2 4.38Å; Q24-V36 HydrophobicContact CB-CG2 4.18Å; Q24-V36 HydrophobicContact CG-CG2 4.45Å; V36-Y48 HydrophobicContact CB-CD2 3.8Å; V36-Y48 HydrophobicContact CB-CE2 4.04Å; V36-Y48 HydrophobicContact CB-CG 4.25Å; V36-Y48 HydrophobicContact CG1-CD1 4.31Å; V36-Y48 HydrophobicContact CG1-CD2 3.66Å; V36-Y48 HydrophobicContact CG1-CE1 4.09Å; V36-Y48 HydrophobicContact CG1-CE2 3.42Å; V36-Y48 VanDerWaalsContact CG1-CE2 3.42Å; V36-Y48 HydrophobicContact CG1-CG 4.12Å; V36-Y48 HydrophobicContact CG2-CD2 4.29Å; V36-Y48 HydrophobicContact CG2-CG 4.25Å; V36-P50 CarbonylContact O-C 3.57Å; V36-P50 VanDerWaalsContact O-CA 3.28Å; V36-P50 WeakPolarHBondContact O-CA 3.35Å; V36-L51 PolarHBondContact O-N 3.14Å; V36-L104 CarbonylContact C-O 3.22Å; V36-L104 WeakPolarHBondContact CA-O 3.27Å; V36-L104 HydrophobicContact CG1-CB 4.42Å; V36-L104 HydrophobicContact CG2-CB 4.25Å; V36-L104 HydrophobicContact CG2-CD1 4.17Å
37V97.5Very high93.1Very high0 Ų064 Ų640%031%0.305CS..EExtended strand (participates in β ladder)trans-115.6119174.6176.20000108L39 A52 L95 L104 F105 D106V37-L39 HydrophobicContact CG1-CD2 3.95Å; V37-L39 HydrophobicContact CG1-CG 4.25Å; V37-L39 PolarHBondContact O-N 3.28Å; V37-A52 WeakPolarHBondContact CA-O 3.49Å; V37-A52 HydrophobicContact CG1-CB 4.1Å; V37-A52 HydrophobicContact CG2-CB 4.42Å; V37-L95 HydrophobicContact CG2-CD2 3.64Å; V37-L104 PolarHBondContact N-O 3.26Å; V37-F105 HydrophobicContact CB-CD1 3.69Å; V37-F105 HydrophobicContact CB-CE1 3.76Å; V37-F105 HydrophobicContact CB-CG 4.48Å; V37-F105 HydrophobicContact CG1-CD1 3.75Å; V37-F105 HydrophobicContact CG1-CE1 3.75Å; V37-F105 HydrophobicContact CG2-CD1 4.32Å; V37-F105 HydrophobicContact CG2-CE1 3.93Å; V37-F105 HydrophobicContact CG2-CZ 4.37Å; V37-F105 WeakPolarHBondContact O-CA 3.4Å; V37-D106 PolarHBondContact O-N 3.24Å
38N97.7Very high93.1Very high0 Ų064.4 Ų64.40%031%0.307CS..EExtended strand (participates in β ladder)trans-81.2117.9173.9176.944.3000109.9D40 F46 P50 A52 D53 I54N38-D40 PolarHBondContact ND2-O 2.86Å; N38-D40 PolarHBondContact OD1-N 2.9Å; N38-D40 PolarHBondContact OD1-O 3.12Å; N38-F46 HydrophobicContact CB-CE1 4.3Å; N38-P50 HydrophobicContact CB-CB 4.48Å; N38-A52 PolarHBondContact N-O 3.42Å; N38-D53 PolarHBondContact ND2-OD1 2.97Å; N38-I54 WeakPolarHBondContact O-CB 3.31Å; N38-I54 PolarHBondContact O-N 3.47Å
39L97Very high93Very high3 Ų363 Ų632%0.01631%0.309CS..  trans-108.53.4171.1-63.4-174.1000112.7V37 P41 L84 L91 F105 D106 P108 M120V37-L39 HydrophobicContact CG1-CD2 3.95Å; V37-L39 HydrophobicContact CG1-CG 4.25Å; V37-L39 PolarHBondContact O-N 3.28Å; L39-P41 VanDerWaalsContact O-CD 3.27Å; L39-P41 WeakPolarHBondContact O-CD 3.46Å; L39-L84 HydrophobicContact CD2-CD2 3.89Å; L39-L91 HydrophobicContact CD2-CD2 4.47Å; L39-F105 HydrophobicContact CD1-CB 4.19Å; L39-F105 HydrophobicContact CD1-CD1 3.68Å; L39-F105 HydrophobicContact CD1-CG 4.32Å; L39-F105 HydrophobicContact CG-CD1 4.03Å; L39-D106 WeakPolarHBondContact CA-O 3.44Å; L39-D106 PolarHBondContact N-O 2.7Å; L39-P108 WeakPolarHBondContact O-CD 3.49Å; L39-P108 WeakPolarHBondContact O-CG 3.37Å; L39-M120 HydrophobicContact CD1-CE 4.41Å
40D96.2Very high93.1Very high24 Ų2459.5 Ų59.513%0.12829%0.288CS..  trans-89.7106.3173.8-167.2-10.2000111.4N38 A42 A43 D106 P108N38-D40 PolarHBondContact ND2-O 2.86Å; N38-D40 PolarHBondContact OD1-N 2.9Å; N38-D40 PolarHBondContact OD1-O 3.12Å; D40-A42 PolarHBondContact O-N 3.21Å; D40-A42 WeakPolarHBondContact OD1-CB 3.36Å; D40-A42 PolarHBondContact OD1-N 2.89Å; D40-A43 HydrophobicContact CB-CB 4.14Å; D40-A43 WeakPolarHBondContact O-CB 3.37Å; D40-A43 PolarHBondContact O-N 3.31Å; D40-D106 PolarHBondContact N-O 2.93Å; D40-P108 HydrophobicContact CB-CG 4.4Å
41P95.5Very high93.2Very high0 Ų059.3 Ų59.30%029%0.287CS..THydrogen-bonded Turntrans-74.4-5.4179.535-37.7000112.7L39 I54 L60 L77 C80L39-P41 VanDerWaalsContact O-CD 3.27Å; L39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-I54 HydrophobicContact CB-CG2 4.08Å; P41-L60 HydrophobicContact CB-CB 4.45Å; P41-L60 WeakPolarHBondContact O-CB 3.41Å; P41-L60 PolarHBondContact O-N 3.17Å; P41-L60 VanDerWaalsContact O-N 3.09Å; P41-L77 HydrophobicContact CG-CD2 3.75Å; P41-C80 HydrophobicContact CB-CB 3.95Å; P41-C80 HydrophobicContact CG-CB 3.63Å
42A94.5Very high93.4Very high40 Ų4050.7 Ų50.733%0.33126%0.256SS..THydrogen-bonded Turntrans-103.74.8174.100000112.7D40 E44 L60 L77D40-A42 PolarHBondContact O-N 3.21Å; D40-A42 WeakPolarHBondContact OD1-CB 3.36Å; D40-A42 PolarHBondContact OD1-N 2.89Å; A42-E44 PolarHBondContact O-N 3.3Å; A42-L60 HydrophobicContact CB-CB 4.31Å; A42-L60 HydrophobicContact CB-CD2 3.59Å; A42-L77 HydrophobicContact CB-CD2 4.07Å
43A91.1Very high93.7Very high11 Ų1149.8 Ų49.89%0.09125%0.253CS..  trans-64.3122.7178.300000110.8D40 F46 R55D40-A43 HydrophobicContact CB-CB 4.14Å; D40-A43 WeakPolarHBondContact O-CB 3.37Å; D40-A43 PolarHBondContact O-N 3.31Å; A43-F46 HydrophobicContact CB-CD1 4.13Å; A43-F46 HydrophobicContact CB-CE1 4.13Å; A43-R55 WeakPolarHBondContact O-CD 3.28Å; A43-R55 PolarHBondContact O-NH1 3.22Å
44E85.6Confident93.9Very high186 Ų18643 Ų4387%0.86922%0.224SC*.  trans-91.5-46.3177.2-64.5-178.8170.200111.7A42A42-E44 PolarHBondContact O-N 3.3Å
45F85.4Confident94Very high161 Ų16145.9 Ų45.971%0.70623%0.234SC*.  trans-146.1136.8-174.2-179.8-95.6000111.3E47F45-E47 HydrophobicContact CE1-CG 3.64Å; F45-E47 HydrophobicContact CZ-CG 4.09Å
46F86.9Confident93.9Very high33 Ų3350.9 Ų50.915%0.14526%0.26CS..  trans-143.3153.4170.140.2-109.6000110.4N38 A43 Y48 P50 R55N38-F46 HydrophobicContact CB-CE1 4.3Å; A43-F46 HydrophobicContact CB-CD1 4.13Å; A43-F46 HydrophobicContact CB-CE1 4.13Å; F46-Y48 HydrophobicContact CB-CD1 3.92Å; F46-Y48 HydrophobicContact CB-CD2 4.46Å; F46-Y48 HydrophobicContact CB-CE1 3.53Å; F46-Y48 HydrophobicContact CB-CE2 4.1Å; F46-Y48 HydrophobicContact CB-CG 4.37Å; F46-Y48 HydrophobicContact CD1-CE2 4.18Å; F46-Y48 AromaticContact CD1-CZ 3.98Å; F46-Y48 AromaticContact CD2-CD2 3.85Å; F46-Y48 HydrophobicContact CD2-CD2 3.85Å; F46-Y48 AromaticContact CD2-CE2 3.67Å; F46-Y48 HydrophobicContact CD2-CE2 3.67Å; F46-Y48 HydrophobicContact CD2-CG 4.36Å; F46-Y48 VanDerWaalsContact CD2-O 3.26Å; F46-Y48 WeakPolarHBondContact CD2-O 3.38Å; F46-Y48 HydrophobicContact CE2-CD2 4.38Å; F46-Y48 HydrophobicContact CE2-CE2 4.11Å; F46-Y48 HydrophobicContact CG-CD2 4.23Å; F46-Y48 HydrophobicContact CG-CE1 4.07Å; F46-Y48 AromaticContact CG-CE2 3.71Å; F46-Y48 HydrophobicContact CG-CE2 3.71Å; F46-Y48 AromaticContact CG-CZ 3.62Å; F46-P50 VanDerWaalsContact CE2-CD 3.44Å; F46-P50 HydrophobicContact CE2-CG 3.68Å; F46-P50 HydrophobicContact CZ-CG 3.77Å; F46-R55 VanDerWaalsContact CZ-NH2 3.26Å
47E90Very high93.9Very high153 Ų15352.8 Ų52.872%0.71527%0.27SS*.SBendtrans-95.716.4-176.2-62.6-179.3160.800113.1F45F45-E47 HydrophobicContact CE1-CG 3.64Å; F45-E47 HydrophobicContact CZ-CG 4.09Å
48Y93Very high93.7Very high10 Ų1053.7 Ų53.74%0.03928%0.275CS..SBendtrans-119160.4176.256-106.4000110.5C20 Q24 V36 F46 P50 D106C20-Y48 HydrophobicContact CB-CD1 4.02Å; C20-Y48 HydrophobicContact CB-CE1 3.81Å; Q24-Y48 VanDerWaalsContact OE1-CB 3.25Å; V36-Y48 HydrophobicContact CB-CD2 3.8Å; V36-Y48 HydrophobicContact CB-CE2 4.04Å; V36-Y48 HydrophobicContact CB-CG 4.25Å; V36-Y48 HydrophobicContact CG1-CD1 4.31Å; V36-Y48 HydrophobicContact CG1-CD2 3.66Å; V36-Y48 HydrophobicContact CG1-CE1 4.09Å; V36-Y48 HydrophobicContact CG1-CE2 3.42Å; V36-Y48 VanDerWaalsContact CG1-CE2 3.42Å; V36-Y48 HydrophobicContact CG1-CG 4.12Å; V36-Y48 HydrophobicContact CG2-CD2 4.29Å; V36-Y48 HydrophobicContact CG2-CG 4.25Å; F46-Y48 HydrophobicContact CB-CD1 3.92Å; F46-Y48 HydrophobicContact CB-CD2 4.46Å; F46-Y48 HydrophobicContact CB-CE1 3.53Å; F46-Y48 HydrophobicContact CB-CE2 4.1Å; F46-Y48 HydrophobicContact CB-CG 4.37Å; F46-Y48 HydrophobicContact CD1-CE2 4.18Å; F46-Y48 AromaticContact CD1-CZ 3.98Å; F46-Y48 AromaticContact CD2-CD2 3.85Å; F46-Y48 HydrophobicContact CD2-CD2 3.85Å; F46-Y48 AromaticContact CD2-CE2 3.67Å; F46-Y48 HydrophobicContact CD2-CE2 3.67Å; F46-Y48 HydrophobicContact CD2-CG 4.36Å; F46-Y48 VanDerWaalsContact CD2-O 3.26Å; F46-Y48 WeakPolarHBondContact CD2-O 3.38Å; F46-Y48 HydrophobicContact CE2-CD2 4.38Å; F46-Y48 HydrophobicContact CE2-CE2 4.11Å; F46-Y48 HydrophobicContact CG-CD2 4.23Å; F46-Y48 HydrophobicContact CG-CE1 4.07Å; F46-Y48 AromaticContact CG-CE2 3.71Å; F46-Y48 HydrophobicContact CG-CE2 3.71Å; F46-Y48 AromaticContact CG-CZ 3.62Å; Y48-P50 HydrophobicContact CD2-CB 4.48Å; Y48-P50 HydrophobicContact CE2-CB 4.24Å; Y48-P50 WeakPolarHBondContact O-CD 3.42Å; Y48-D106 WeakPolarHBondContact OH-CB 3.39Å; Y48-D106 PolarHBondContact OH-OD2 2.91Å
49T92.2Very high93.6Very high119 Ų11955.9 Ų55.973%0.7329%0.285SS*.  trans-95.1112.6170.7-57.50000108.7
50P95.1Very high93.5Very high34 Ų3456.3 Ų56.322%0.22129%0.288CS..EExtended strand (participates in β ladder)trans-71.6136.8179.729-34.5000110.1V36 N38 F46 Y48 A52 D53V36-P50 CarbonylContact O-C 3.57Å; V36-P50 VanDerWaalsContact O-CA 3.28Å; V36-P50 WeakPolarHBondContact O-CA 3.35Å; N38-P50 HydrophobicContact CB-CB 4.48Å; F46-P50 VanDerWaalsContact CE2-CD 3.44Å; F46-P50 HydrophobicContact CE2-CG 3.68Å; F46-P50 HydrophobicContact CZ-CG 3.77Å; Y48-P50 HydrophobicContact CD2-CB 4.48Å; Y48-P50 HydrophobicContact CE2-CB 4.24Å; Y48-P50 WeakPolarHBondContact O-CD 3.42Å; P50-A52 VanDerWaalsContact C-N 3.28Å; P50-D53 HydrophobicContact CG-CB 4.27Å
51L95.7Very high93.4Very high72 Ų7259.3 Ų59.338%0.37730%0.303SS..EExtended strand (participates in β ladder)trans-64.5-39.2165.9174.166.9000110.6D35 V36 L95 L103D35-L51 HydrophobicContact CB-CB 4.05Å; D35-L51 HydrophobicContact CB-CD2 3.95Å; V36-L51 PolarHBondContact O-N 3.14Å; L51-L95 HydrophobicContact CD2-CD2 4.12Å; L51-L103 HydrophobicContact CD2-CD2 4.1Å
52A96Very high93.2Very high6 Ų664.4 Ų64.45%0.0533%0.331CS..EExtended strand (participates in β ladder)trans-143.5137.2179.200000109.5V37 N38 P50 W90 A94V37-A52 WeakPolarHBondContact CA-O 3.49Å; V37-A52 HydrophobicContact CG1-CB 4.1Å; V37-A52 HydrophobicContact CG2-CB 4.42Å; N38-A52 PolarHBondContact N-O 3.42Å; P50-A52 VanDerWaalsContact C-N 3.28Å; A52-W90 HydrophobicContact CB-CH2 4.03Å; A52-W90 HydrophobicContact CB-CZ2 4.19Å; A52-A94 HydrophobicContact CB-CB 3.59Å
53D96.8Very high93.2Very high12 Ų1262.9 Ų62.96%0.06432%0.317CS..EExtended strand (participates in β ladder)trans-123.9116.1-179.4-168.9-18.1000110.2N38 P50 R55 D56 W90N38-D53 PolarHBondContact ND2-OD1 2.97Å; P50-D53 HydrophobicContact CG-CB 4.27Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact OD1-CB 3.29Å; D53-R55 WeakPolarHBondContact OD1-CB 3.35Å; D53-R55 VanDerWaalsContact OD1-CG 3.31Å; D53-R55 WeakPolarHBondContact OD1-CG 3.29Å; D53-R55 PolarHBondContact OD1-N 2.85Å; D53-R55 IonicContact OD1-NE 3.39Å; D53-R55 PolarHBondContact OD1-NE 3.48Å; D53-R55 VanDerWaalsContact OD1-NE 3.15Å; D53-R55 IonicContact OD2-CZ 3.95Å; D53-R55 IonicContact OD2-NE 2.73Å; D53-R55 PolarHBondContact OD2-NE 2.9Å; D53-R55 IonicContact OD2-NH2 3.05Å; D53-R55 PolarHBondContact OD2-NH2 3.45Å; D53-D56 WeakPolarHBondContact O-CB 3.28Å; D53-D56 PolarHBondContact O-N 2.95Å; D53-W90 VanDerWaalsContact O-CZ2 3.24Å; D53-W90 WeakPolarHBondContact O-CZ2 3.4Å
54I97.1Very high93.3Very high0 Ų065.8 Ų65.80%033%0.33CS..G310 helixtrans-54.3-25.3179.2-166.7176.5000112.5N38 P41 D56 L57 I58 L81 L84 W90N38-I54 WeakPolarHBondContact O-CB 3.31Å; N38-I54 PolarHBondContact O-N 3.47Å; P41-I54 HydrophobicContact CB-CG2 4.08Å; I54-D56 PolarHBondContact O-N 3.02Å; I54-L57 WeakPolarHBondContact O-CA 3.42Å; I54-L57 WeakPolarHBondContact O-CB 3.47Å; I54-L57 PolarHBondContact O-N 3.23Å; I54-I58 HydrophobicContact CG1-CG2 4.23Å; I54-I58 PolarHBondContact O-N 3.02Å; I54-L81 HydrophobicContact CD1-CD2 4.17Å; I54-L84 HydrophobicContact CD1-CB 4.19Å; I54-L84 HydrophobicContact CD1-CD2 3.77Å; I54-L84 HydrophobicContact CD1-CG 4.48Å; I54-L84 HydrophobicContact CG1-CD2 4.47Å; I54-W90 HydrophobicContact CB-CH2 4.35Å
55R95.6Very high93.6Very high68 Ų6864.3 Ų64.326%0.25732%0.323SS..G310 helixtrans-61.7-24.6177.4-65.6-178.8-58.3169.19113A43 F46 D53 L57A43-R55 WeakPolarHBondContact O-CD 3.28Å; A43-R55 PolarHBondContact O-NH1 3.22Å; F46-R55 VanDerWaalsContact CZ-NH2 3.26Å; D53-R55 PolarHBondContact O-N 3.4Å; D53-R55 VanDerWaalsContact OD1-CB 3.29Å; D53-R55 WeakPolarHBondContact OD1-CB 3.35Å; D53-R55 VanDerWaalsContact OD1-CG 3.31Å; D53-R55 WeakPolarHBondContact OD1-CG 3.29Å; D53-R55 PolarHBondContact OD1-N 2.85Å; D53-R55 IonicContact OD1-NE 3.39Å; D53-R55 PolarHBondContact OD1-NE 3.48Å; D53-R55 VanDerWaalsContact OD1-NE 3.15Å; D53-R55 IonicContact OD2-CZ 3.95Å; D53-R55 IonicContact OD2-NE 2.73Å; D53-R55 PolarHBondContact OD2-NE 2.9Å; D53-R55 IonicContact OD2-NH2 3.05Å; D53-R55 PolarHBondContact OD2-NH2 3.45Å; R55-L57 VanDerWaalsContact C-N 3.26Å; R55-L57 PolarHBondContact O-N 3Å
56D95.3Very high93.8Very high136 Ų13660 Ų6073%0.72731%0.307SS*.G310 helixtrans-72.4-21.5172.9-65.5-27.5000112.6D53 I54D53-D56 WeakPolarHBondContact O-CB 3.28Å; D53-D56 PolarHBondContact O-N 2.95Å; I54-D56 PolarHBondContact O-N 3.02Å
57L96.6Very high93.7Very high41 Ų4166.2 Ų66.222%0.21534%0.337CS..THydrogen-bonded Turntrans-92.5-48.6174.3177.266.4000111.4I54 R55 Y83 L84 N87 W90I54-L57 WeakPolarHBondContact O-CA 3.42Å; I54-L57 WeakPolarHBondContact O-CB 3.47Å; I54-L57 PolarHBondContact O-N 3.23Å; R55-L57 VanDerWaalsContact C-N 3.26Å; R55-L57 PolarHBondContact O-N 3Å; L57-Y83 HydrophobicContact CD1-CD1 4.36Å; L57-Y83 HydrophobicContact CD1-CE1 3.79Å; L57-Y83 HydrophobicContact CD2-CD1 4.33Å; L57-Y83 HydrophobicContact CG-CD1 4.06Å; L57-Y83 HydrophobicContact CG-CE1 3.93Å; L57-L84 HydrophobicContact CD2-CB 4.26Å; L57-L84 HydrophobicContact CD2-CD1 3.73Å; L57-N87 HydrophobicContact CD1-CB 4.34Å; L57-N87 HydrophobicContact CD2-CB 4.42Å; L57-W90 HydrophobicContact CB-CD2 4.12Å; L57-W90 HydrophobicContact CB-CG 4.19Å; L57-W90 HydrophobicContact CD1-CB 4.22Å; L57-W90 HydrophobicContact CD1-CG 4.21Å; L57-W90 HydrophobicContact CD2-CB 4.16Å; L57-W90 HydrophobicContact CD2-CD2 4.09Å; L57-W90 HydrophobicContact CD2-CE3 4.15Å; L57-W90 HydrophobicContact CD2-CG 4.08Å; L57-W90 HydrophobicContact CG-CG 4.39Å
58I95.2Very high93.4Very high19 Ų1963.1 Ų63.110%0.09734%0.337CS..  trans-159.4126.9-176.7-172.6158.9000111.4I54 V63 F79 C80 Y83I54-I58 HydrophobicContact CG1-CG2 4.23Å; I54-I58 PolarHBondContact O-N 3.02Å; I58-V63 HydrophobicContact CD1-CG2 3.7Å; I58-V63 HydrophobicContact CG1-CG2 3.78Å; I58-F79 HydrophobicContact CD1-CD1 3.94Å; I58-F79 HydrophobicContact CD1-CE1 3.73Å; I58-C80 HydrophobicContact CG1-CB 4.47Å; I58-C80 HydrophobicContact CG2-CB 4.07Å; I58-Y83 HydrophobicContact CB-CD1 3.93Å; I58-Y83 HydrophobicContact CB-CE1 4.37Å; I58-Y83 HydrophobicContact CD1-CD1 3.73Å; I58-Y83 HydrophobicContact CD1-CD2 4.38Å; I58-Y83 HydrophobicContact CD1-CE1 4.43Å; I58-Y83 HydrophobicContact CD1-CG 3.69Å; I58-Y83 HydrophobicContact CG1-CD1 4.45Å; I58-Y83 HydrophobicContact CG2-CD1 4Å
59H95.2Very high92.9Very high45 Ų4565 Ų6521%0.20835%0.347CS..  trans-102.3141.9177.1-159.7-80.3000111.1D61 D62 V63H59-D61 IonicContact CE1-OD2 3.73Å; H59-D61 PolarHBondContact CE1-OD2 3.44Å; H59-D61 VanDerWaalsContact CE1-OD2 3.23Å; H59-D61 PolarHBondContact ND1-N 2.97Å; H59-D61 IonicContact ND1-OD2 2.73Å; H59-D61 PolarHBondContact O-N 3Å; H59-D62 HydrophobicContact CB-CB 4.44Å; H59-D62 WeakPolarHBondContact CB-OD2 3.41Å; H59-D62 PolarHBondContact O-N 3.37Å; H59-V63 PolarHBondContact O-N 2.97Å
60L94.8Very high92.5Very high13 Ų1369.3 Ų69.37%0.06835%0.35CS..Hα-helixtrans-61.8-44.1-179.4177.263.5000112.3P41 A42 D62 V63 M64 L77P41-L60 HydrophobicContact CB-CB 4.45Å; P41-L60 WeakPolarHBondContact O-CB 3.41Å; P41-L60 PolarHBondContact O-N 3.17Å; P41-L60 VanDerWaalsContact O-N 3.09Å; A42-L60 HydrophobicContact CB-CB 4.31Å; A42-L60 HydrophobicContact CB-CD2 3.59Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.23Å; L60-V63 WeakPolarHBondContact O-CB 3.26Å; L60-V63 PolarHBondContact O-N 2.85Å; L60-V63 VanDerWaalsContact O-N 3.14Å; L60-M64 HydrophobicContact CD1-CG 4.17Å; L60-M64 HydrophobicContact CD1-SD 4.06Å; L60-M64 HydrophobicContact CD2-SD 4.1Å; L60-M64 HydrophobicContact CG-CG 4.34Å; L60-M64 HydrophobicContact CG-SD 3.81Å; L60-M64 PolarHBondContact O-N 2.82Å; L60-L77 HydrophobicContact CD1-CD2 4.25Å; L60-L77 HydrophobicContact CD1-CG 4.16Å; L60-L77 HydrophobicContact CD2-CD2 3.88Å; L60-L77 HydrophobicContact CD2-CG 4.03Å
61D93.4Very high92.3Very high86 Ų8670.8 Ų70.846%0.4636%0.356SS..Hα-helixtrans-58.4-43.6-179.3-65.6-26.5000112.3H59 V63 M64 E65H59-D61 IonicContact CE1-OD2 3.73Å; H59-D61 PolarHBondContact CE1-OD2 3.44Å; H59-D61 VanDerWaalsContact CE1-OD2 3.23Å; H59-D61 PolarHBondContact ND1-N 2.97Å; H59-D61 IonicContact ND1-OD2 2.73Å; H59-D61 PolarHBondContact O-N 3Å; D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 3.27Å; D61-M64 PolarHBondContact O-N 3.44Å; D61-M64 VanDerWaalsContact O-N 3.08Å; D61-E65 WeakPolarHBondContact O-CG 3.45Å; D61-E65 PolarHBondContact O-N 3.13Å
62D92.6Very high92.1Very high108 Ų10869.4 Ų69.458%0.57836%0.359SS*.Hα-helixtrans-59.1-39.5177.3-64.5-25.1000111.7H59 L60 D66H59-D62 HydrophobicContact CB-CB 4.44Å; H59-D62 WeakPolarHBondContact CB-OD2 3.41Å; H59-D62 PolarHBondContact O-N 3.37Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-D62 PolarHBondContact O-N 3.23Å; D62-D66 PolarHBondContact O-N 3.38Å
63V93.2Very high91.9Very high7 Ų772.7 Ų72.74%0.04238%0.38CS..Hα-helixtrans-68.8-36.2177.6174.50000111.8I58 H59 L60 D61 I69 F79I58-V63 HydrophobicContact CD1-CG2 3.7Å; I58-V63 HydrophobicContact CG1-CG2 3.78Å; H59-V63 PolarHBondContact O-N 2.97Å; L60-V63 WeakPolarHBondContact O-CB 3.26Å; L60-V63 PolarHBondContact O-N 2.85Å; L60-V63 VanDerWaalsContact O-N 3.14Å; D61-V63 VanDerWaalsContact C-N 3.26Å; D61-V63 PolarHBondContact O-N 3.27Å; V63-I69 HydrophobicContact CG1-CD1 4.36Å; V63-I69 HydrophobicContact CG1-CG2 4.12Å; V63-F79 HydrophobicContact CB-CD1 4.36Å; V63-F79 HydrophobicContact CG1-CB 4.25Å; V63-F79 HydrophobicContact CG1-CD1 3.59Å; V63-F79 HydrophobicContact CG1-CE1 4.21Å; V63-F79 HydrophobicContact CG1-CG 4.08Å; V63-F79 HydrophobicContact CG2-CD1 3.75Å; V63-F79 HydrophobicContact CG2-CE1 3.96Å
64M92.6Very high91.6Very high73 Ų7376.4 Ų76.436%0.3640%0.4SS..Hα-helixtrans-76-31.5179.4-73.5178.34600112.7L60 D61 P73L60-M64 HydrophobicContact CD1-CG 4.17Å; L60-M64 HydrophobicContact CD1-SD 4.06Å; L60-M64 HydrophobicContact CD2-SD 4.1Å; L60-M64 HydrophobicContact CG-CG 4.34Å; L60-M64 HydrophobicContact CG-SD 3.81Å; L60-M64 PolarHBondContact O-N 2.82Å; D61-M64 PolarHBondContact O-N 3.44Å; D61-M64 VanDerWaalsContact O-N 3.08Å; M64-P73 HydrophobicContact CE-CG 3.86Å; M64-P73 HydrophobicContact SD-CB 4.15Å; M64-P73 HydrophobicContact SD-CG 4.1Å
65E92Very high91.4Very high155 Ų15577.6 Ų77.672%0.72441%0.412SS*.Hα-helixtrans-79.6-17.8177.2-69.6-173.117700113.2D61 E67D61-E65 WeakPolarHBondContact O-CG 3.45Å; D61-E65 PolarHBondContact O-N 3.13Å; E65-E67 PolarHBondContact O-N 3.41Å; E65-E67 VanDerWaalsContact O-N 3.13Å
66D89.9Confident91.4Very high70 Ų7074.4 Ų74.437%0.37440%0.4SS..  trans-67110.3178.1-168.9-40.1000112.2D62 A68 I69 R70D62-D66 PolarHBondContact O-N 3.38Å; D66-A68 PolarHBondContact O-N 3.34Å; D66-A68 VanDerWaalsContact O-N 3.14Å; D66-A68 WeakPolarHBondContact OD1-CA 3.39Å; D66-A68 WeakPolarHBondContact OD1-CB 3.45Å; D66-A68 PolarHBondContact OD1-N 2.87Å; D66-I69 HydrophobicContact CB-CB 4.17Å; D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 4.06Å; D66-I69 PolarHBondContact O-N 2.64Å; D66-I69 VanDerWaalsContact O-N 3.16Å; D66-I69 PolarHBondContact OD1-N 2.73Å; D66-R70 PolarHBondContact O-N 3.23Å; D66-R70 VanDerWaalsContact O-N 3.13Å
67E84.4Confident91.3Very high164 Ų16468.4 Ų68.477%0.76637%0.368SS*.THydrogen-bonded Turntrans-61.6-19.5-180-65.4-169.7175.100114.6E65 R70E65-E67 PolarHBondContact O-N 3.41Å; E65-E67 VanDerWaalsContact O-N 3.13Å; E67-R70 WeakPolarHBondContact O-CG 3.42Å; E67-R70 PolarHBondContact O-NE 3.24Å
68A85Confident91.2Very high88 Ų8868.9 Ų68.973%0.72737%0.371SS*.THydrogen-bonded Turntrans-85.2-33.4177.600000112.1D66D66-A68 PolarHBondContact O-N 3.34Å; D66-A68 VanDerWaalsContact O-N 3.14Å; D66-A68 WeakPolarHBondContact OD1-CA 3.39Å; D66-A68 WeakPolarHBondContact OD1-CB 3.45Å; D66-A68 PolarHBondContact OD1-N 2.87Å
69I82.6Confident91.3Very high49 Ų4971 Ų7125%0.25138%0.379SS..THydrogen-bonded Turntrans-81.7-44.8-177.3-62.6176.3000110.9V63 D66 L71 F79V63-I69 HydrophobicContact CG1-CD1 4.36Å; V63-I69 HydrophobicContact CG1-CG2 4.12Å; D66-I69 HydrophobicContact CB-CB 4.17Å; D66-I69 HydrophobicContact CB-CD1 3.91Å; D66-I69 HydrophobicContact CB-CG1 4.06Å; D66-I69 PolarHBondContact O-N 2.64Å; D66-I69 VanDerWaalsContact O-N 3.16Å; D66-I69 PolarHBondContact OD1-N 2.73Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 HydrophobicContact CG2-CB 3.98Å; I69-L71 HydrophobicContact CG2-CD1 3.37Å; I69-L71 HydrophobicContact CG2-CG 3.45Å; I69-L71 VanDerWaalsContact CG2-CG 3.45Å; I69-L71 PolarHBondContact O-N 3.22Å; I69-F79 HydrophobicContact CD1-CE1 4Å; I69-F79 HydrophobicContact CD1-CE2 4.35Å; I69-F79 HydrophobicContact CD1-CZ 3.81Å
70R83.8Confident91.3Very high210 Ų21068.8 Ų68.879%0.79237%0.369SS*.  trans48.842.2177.4-55.2-174.6-179.6-172.5-4.8114.2D66 E67D66-R70 PolarHBondContact O-N 3.23Å; D66-R70 VanDerWaalsContact O-N 3.13Å; E67-R70 WeakPolarHBondContact O-CG 3.42Å; E67-R70 PolarHBondContact O-NE 3.24Å
71L91Very high91.4Very high65 Ų6568.2 Ų68.234%0.3437%0.366SS..  trans-93142.1176.1-67.8173.4000110.7I69 F79I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 HydrophobicContact CG2-CB 3.98Å; I69-L71 HydrophobicContact CG2-CD1 3.37Å; I69-L71 HydrophobicContact CG2-CG 3.45Å; I69-L71 VanDerWaalsContact CG2-CG 3.45Å; I69-L71 PolarHBondContact O-N 3.22Å; L71-F79 HydrophobicContact CD1-CB 3.74Å; L71-F79 HydrophobicContact CD1-CD2 4.17Å; L71-F79 HydrophobicContact CD1-CG 4.15Å
72G91.6Very high91.5Very high43 Ų4368.1 Ų68.144%0.44336%0.363SS..  trans-76.9175.1166.500000111.7N74 G75 G76G72-N74 PolarHBondContact O-N 3.36Å; G72-G75 CarbonylContact O-C 3.45Å; G72-G75 WeakPolarHBondContact O-CA 3.37Å; G72-G75 PolarHBondContact O-N 3.03Å; G72-G76 PolarHBondContact O-N 2.79Å
73P90.8Very high91.7Very high75 Ų7567.1 Ų67.149%0.48735%0.351SS..Hα-helixtrans-51-50.6-171.5-27.732.7000114.9M64 G75 G76 L77M64-P73 HydrophobicContact CE-CG 3.86Å; M64-P73 HydrophobicContact SD-CB 4.15Å; M64-P73 HydrophobicContact SD-CG 4.1Å; P73-G75 PolarHBondContact O-N 2.91Å; P73-G76 PolarHBondContact O-N 2.8Å; P73-L77 WeakPolarHBondContact O-CG 3.43Å; P73-L77 PolarHBondContact O-N 3.17Å
74N91.3Very high91.9Very high89 Ų8966.8 Ų66.848%0.47635%0.349SS..Hα-helixtrans-67-36.3179.9-67.6-5.1000112.5G72 I78G72-N74 PolarHBondContact O-N 3.36Å; N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.07Å
75G92.7Very high92.1Very high26 Ų2665.2 Ų65.227%0.26834%0.341SS..Hα-helixtrans-68.2-39175.100000111.8G72 P73 I78 F79G72-G75 CarbonylContact O-C 3.45Å; G72-G75 WeakPolarHBondContact O-CA 3.37Å; G72-G75 PolarHBondContact O-N 3.03Å; P73-G75 PolarHBondContact O-N 2.91Å; G75-I78 PolarHBondContact O-N 2.73Å; G75-F79 WeakPolarHBondContact O-CB 3.35Å; G75-F79 PolarHBondContact O-N 3.08Å
76G94.9Very high92.3Very high0 Ų064.6 Ų64.60%034%0.338CS..Hα-helixtrans-62.4-43174.800000112G72 P73 I78 F79 C80G72-G76 PolarHBondContact O-N 2.79Å; P73-G76 PolarHBondContact O-N 2.8Å; G76-I78 PolarHBondContact O-N 3.22Å; G76-F79 WeakPolarHBondContact O-CB 3.48Å; G76-F79 PolarHBondContact O-N 3.25Å; G76-F79 VanDerWaalsContact O-N 3.17Å; G76-C80 PolarHBondContact O-N 2.86Å; G76-C80 PolarHBondContact O-SG 2.89Å
77L94.4Very high92.6Very high11 Ų1164 Ų646%0.05834%0.335CS..Hα-helixtrans-59.9-44.3175.3-74.8173.9000112.6P41 A42 L60 P73 F79 C80 L81 Q110 L113P41-L77 HydrophobicContact CG-CD2 3.75Å; A42-L77 HydrophobicContact CB-CD2 4.07Å; L60-L77 HydrophobicContact CD1-CD2 4.25Å; L60-L77 HydrophobicContact CD1-CG 4.16Å; L60-L77 HydrophobicContact CD2-CD2 3.88Å; L60-L77 HydrophobicContact CD2-CG 4.03Å; P73-L77 WeakPolarHBondContact O-CG 3.43Å; P73-L77 PolarHBondContact O-N 3.17Å; L77-F79 VanDerWaalsContact C-N 3.33Å; L77-C80 PolarHBondContact O-N 3.15Å; L77-L81 PolarHBondContact O-N 2.66Å; L77-L81 VanDerWaalsContact O-N 3.13Å; L77-Q110 HydrophobicContact CD1-CB 4.37Å; L77-Q110 HydrophobicContact CD1-CG 3.41Å; L77-Q110 VanDerWaalsContact CD1-CG 3.41Å; L77-L113 HydrophobicContact CB-CD1 4.49Å
78I94.9Very high93.2Very high51 Ų5157.2 Ų57.226%0.26230%0.304SS..Hα-helixtrans-59.9-47.6174.9-66.1168000109.7N74 G75 G76 C80 L81 E82 L113 L117 I119N74-I78 WeakPolarHBondContact O-CG1 3.49Å; N74-I78 PolarHBondContact O-N 3.07Å; G75-I78 PolarHBondContact O-N 2.73Å; G76-I78 PolarHBondContact O-N 3.22Å; I78-C80 PolarHBondContact O-N 3.12Å; I78-L81 PolarHBondContact O-N 3.04Å; I78-E82 HydrophobicContact CG2-CG 4.24Å; I78-E82 WeakPolarHBondContact O-CG 3.24Å; I78-E82 PolarHBondContact O-N 3.09Å; I78-L113 HydrophobicContact CB-CD2 4.49Å; I78-L113 HydrophobicContact CG1-CD2 3.66Å; I78-L117 HydrophobicContact CD1-CD1 3.85Å; I78-L117 HydrophobicContact CG1-CD1 3.7Å; I78-L117 HydrophobicContact CG2-CD1 4.2Å; I78-I119 HydrophobicContact CG2-CD1 4.1Å
79F95.4Very high93.7Very high62 Ų6258.3 Ų58.327%0.27230%0.298SS..Hα-helixtrans-58.6-45178.4-179.3-87.6000112.3I58 V63 I69 L71 G75 G76 L77 L81 E82 Y83I58-F79 HydrophobicContact CD1-CD1 3.94Å; I58-F79 HydrophobicContact CD1-CE1 3.73Å; V63-F79 HydrophobicContact CB-CD1 4.36Å; V63-F79 HydrophobicContact CG1-CB 4.25Å; V63-F79 HydrophobicContact CG1-CD1 3.59Å; V63-F79 HydrophobicContact CG1-CE1 4.21Å; V63-F79 HydrophobicContact CG1-CG 4.08Å; V63-F79 HydrophobicContact CG2-CD1 3.75Å; V63-F79 HydrophobicContact CG2-CE1 3.96Å; I69-F79 HydrophobicContact CD1-CE1 4Å; I69-F79 HydrophobicContact CD1-CE2 4.35Å; I69-F79 HydrophobicContact CD1-CZ 3.81Å; L71-F79 HydrophobicContact CD1-CB 3.74Å; L71-F79 HydrophobicContact CD1-CD2 4.17Å; L71-F79 HydrophobicContact CD1-CG 4.15Å; G75-F79 WeakPolarHBondContact O-CB 3.35Å; G75-F79 PolarHBondContact O-N 3.08Å; G76-F79 WeakPolarHBondContact O-CB 3.48Å; G76-F79 PolarHBondContact O-N 3.25Å; G76-F79 VanDerWaalsContact O-N 3.17Å; L77-F79 VanDerWaalsContact C-N 3.33Å; F79-L81 PolarHBondContact O-N 3.23Å; F79-E82 PolarHBondContact O-N 2.93Å; F79-Y83 WeakPolarHBondContact O-CB 3.5Å; F79-Y83 PolarHBondContact O-N 3.04Å
80C96.4Very high94.3Very high0 Ų058.2 Ų58.20%029%0.294CS..Hα-helixtrans-59.2-45177.7-670000112P41 I58 G76 L77 I78 Y83 L84P41-C80 HydrophobicContact CB-CB 3.95Å; P41-C80 HydrophobicContact CG-CB 3.63Å; I58-C80 HydrophobicContact CG1-CB 4.47Å; I58-C80 HydrophobicContact CG2-CB 4.07Å; G76-C80 PolarHBondContact O-N 2.86Å; G76-C80 PolarHBondContact O-SG 2.89Å; L77-C80 PolarHBondContact O-N 3.15Å; I78-C80 PolarHBondContact O-N 3.12Å; C80-Y83 WeakPolarHBondContact O-CB 3.41Å; C80-Y83 PolarHBondContact O-N 2.99Å; C80-L84 PolarHBondContact O-N 3.21Å
81L96.4Very high94.9Very high1 Ų148.2 Ų48.21%0.00526%0.256CS..Hα-helixtrans-70.8-36178-66.5-172.5000112.6I54 L77 I78 F79 Y83 L84 Q85 P108 L113 I119 M120I54-L81 HydrophobicContact CD1-CD2 4.17Å; L77-L81 PolarHBondContact O-N 2.66Å; L77-L81 VanDerWaalsContact O-N 3.13Å; I78-L81 PolarHBondContact O-N 3.04Å; F79-L81 PolarHBondContact O-N 3.23Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 PolarHBondContact O-N 3.42Å; L81-L84 PolarHBondContact O-N 2.77Å; L81-Q85 WeakPolarHBondContact O-CB 3.21Å; L81-Q85 PolarHBondContact O-N 2.95Å; L81-P108 HydrophobicContact CD1-CG 4.21Å; L81-P108 HydrophobicContact CD2-CG 4.18Å; L81-P108 HydrophobicContact CG-CG 4.47Å; L81-L113 HydrophobicContact CD1-CB 4.19Å; L81-L113 HydrophobicContact CD1-CD1 3.91Å; L81-L113 HydrophobicContact CD1-CD2 3.88Å; L81-L113 HydrophobicContact CD1-CG 4.19Å; L81-I119 HydrophobicContact CB-CD1 4.4Å; L81-I119 HydrophobicContact CB-CG2 3.75Å; L81-I119 WeakPolarHBondContact O-CG2 3.16Å; L81-M120 HydrophobicContact CD1-SD 4.24Å
82E95.7Very high95Very high84 Ų8446.6 Ų46.639%0.39325%0.248SC..Hα-helixtrans-62.3-39.5171.9-74.2-176.116100111.3I78 F79 Q85 Q86 I119I78-E82 HydrophobicContact CG2-CG 4.24Å; I78-E82 WeakPolarHBondContact O-CG 3.24Å; I78-E82 PolarHBondContact O-N 3.09Å; F79-E82 PolarHBondContact O-N 2.93Å; E82-Q85 PolarHBondContact O-N 3.24Å; E82-Q86 VanDerWaalsContact O-CG 3.31Å; E82-Q86 WeakPolarHBondContact O-CG 3.28Å; E82-Q86 PolarHBondContact O-N 2.78Å; E82-I119 HydrophobicContact CG-CD1 3.58Å; E82-I119 HydrophobicContact CG-CG1 4.07Å
83Y96.7Very high95.1Very high86 Ų8650.4 Ų50.434%0.33726%0.263SS..Hα-helixtrans-65.1-43.7175.9-170.1-98.2000111.6L57 I58 F79 C80 L81 Q85 Q86 N87L57-Y83 HydrophobicContact CD1-CD1 4.36Å; L57-Y83 HydrophobicContact CD1-CE1 3.79Å; L57-Y83 HydrophobicContact CD2-CD1 4.33Å; L57-Y83 HydrophobicContact CG-CD1 4.06Å; L57-Y83 HydrophobicContact CG-CE1 3.93Å; I58-Y83 HydrophobicContact CB-CD1 3.93Å; I58-Y83 HydrophobicContact CB-CE1 4.37Å; I58-Y83 HydrophobicContact CD1-CD1 3.73Å; I58-Y83 HydrophobicContact CD1-CD2 4.38Å; I58-Y83 HydrophobicContact CD1-CE1 4.43Å; I58-Y83 HydrophobicContact CD1-CG 3.69Å; I58-Y83 HydrophobicContact CG1-CD1 4.45Å; I58-Y83 HydrophobicContact CG2-CD1 4Å; F79-Y83 WeakPolarHBondContact O-CB 3.5Å; F79-Y83 PolarHBondContact O-N 3.04Å; C80-Y83 WeakPolarHBondContact O-CB 3.41Å; C80-Y83 PolarHBondContact O-N 2.99Å; L81-Y83 VanDerWaalsContact C-N 3.29Å; L81-Y83 PolarHBondContact O-N 3.42Å; Y83-Q85 VanDerWaalsContact C-N 3.35Å; Y83-Q85 PolarHBondContact O-N 2.89Å; Y83-Q86 PolarHBondContact O-N 3.24Å; Y83-N87 WeakPolarHBondContact O-CB 3.43Å; Y83-N87 PolarHBondContact O-N 3.37Å; Y83-N87 PolarHBondContact O-ND2 2.92Å
84L97.6Very high95.2Very high0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-57.8-46.6170.8173.263.4000111.5L39 I54 L57 C80 L81 Q86 N87 L88 W90 L91 I123L39-L84 HydrophobicContact CD2-CD2 3.89Å; I54-L84 HydrophobicContact CD1-CB 4.19Å; I54-L84 HydrophobicContact CD1-CD2 3.77Å; I54-L84 HydrophobicContact CD1-CG 4.48Å; I54-L84 HydrophobicContact CG1-CD2 4.47Å; L57-L84 HydrophobicContact CD2-CB 4.26Å; L57-L84 HydrophobicContact CD2-CD1 3.73Å; C80-L84 PolarHBondContact O-N 3.21Å; L81-L84 PolarHBondContact O-N 2.77Å; L84-Q86 PolarHBondContact O-N 2.99Å; L84-N87 CarbonylContact O-C 3.32Å; L84-N87 VanDerWaalsContact O-C 3.22Å; L84-N87 PolarHBondContact O-N 2.83Å; L84-L88 PolarHBondContact O-N 2.77Å; L84-L88 VanDerWaalsContact O-N 3.14Å; L84-W90 HydrophobicContact CD1-CE3 3.56Å; L84-W90 HydrophobicContact CD1-CZ3 3.89Å; L84-L91 HydrophobicContact CD1-CD1 4.3Å; L84-L91 HydrophobicContact CD1-CG 4.14Å; L84-I123 HydrophobicContact CD2-CD1 4Å; L84-I123 HydrophobicContact CG-CD1 4.33Å
85Q96.3Very high95.3Very high41 Ų4144.1 Ų44.119%0.19223%0.229CC..Hα-helixtrans-63-26.8179.3-164.5-131.7-85.700112.8L81 E82 Y83 L88 I119 R122 I123L81-Q85 WeakPolarHBondContact O-CB 3.21Å; L81-Q85 PolarHBondContact O-N 2.95Å; E82-Q85 PolarHBondContact O-N 3.24Å; Y83-Q85 VanDerWaalsContact C-N 3.35Å; Y83-Q85 PolarHBondContact O-N 2.89Å; Q85-L88 WeakPolarHBondContact O-CG 3.38Å; Q85-I119 HydrophobicContact CB-CG2 4.01Å; Q85-I119 HydrophobicContact CG-CG2 4.32Å; Q85-R122 HydrophobicContact CG-CB 4.15Å; Q85-I123 HydrophobicContact CB-CG1 4.32Å; Q85-I123 HydrophobicContact CG-CG1 4.23Å
86Q96.6Very high95.2Very high142 Ų14244.1 Ų44.166%0.66423%0.229SC*.Hα-helixtrans-82.2-24.5172.9-70.4173.729.200112.8E82 Y83 L84E82-Q86 VanDerWaalsContact O-CG 3.31Å; E82-Q86 WeakPolarHBondContact O-CG 3.28Å; E82-Q86 PolarHBondContact O-N 2.78Å; Y83-Q86 PolarHBondContact O-N 3.24Å; L84-Q86 PolarHBondContact O-N 2.99Å
87N97.1Very high94.7Very high57 Ų5751 Ų5131%0.30527%0.266SS..  trans-117.240.4-174.8-64.3-78.5000112.3L57 Y83 L84 N89 W90L57-N87 HydrophobicContact CD1-CB 4.34Å; L57-N87 HydrophobicContact CD2-CB 4.42Å; Y83-N87 WeakPolarHBondContact O-CB 3.43Å; Y83-N87 PolarHBondContact O-N 3.37Å; Y83-N87 PolarHBondContact O-ND2 2.92Å; L84-N87 CarbonylContact O-C 3.32Å; L84-N87 VanDerWaalsContact O-C 3.22Å; L84-N87 PolarHBondContact O-N 2.83Å; N87-N89 PolarHBondContact O-N 3.48Å; N87-W90 WeakPolarHBondContact O-CB 3.37Å; N87-W90 PolarHBondContact O-N 3.21Å
88L96.2Very high94.2Very high21 Ų2154 Ų5411%0.1128%0.282CS..THydrogen-bonded Turntrans-57.5-19.2-179-68.4168.8000114L84 Q85 W90 L91 D92 I123 Y126L84-L88 PolarHBondContact O-N 2.77Å; L84-L88 VanDerWaalsContact O-N 3.14Å; Q85-L88 WeakPolarHBondContact O-CG 3.38Å; L88-W90 PolarHBondContact O-N 2.89Å; L88-L91 HydrophobicContact CD2-CD1 3.85Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 2.86Å; L88-D92 PolarHBondContact O-N 3.08Å; L88-I123 HydrophobicContact CD2-CG1 4.09Å; L88-I123 HydrophobicContact CD2-CG2 4.28Å; L88-Y126 HydrophobicContact CB-CD1 4.08Å; L88-Y126 HydrophobicContact CB-CE1 3.77Å; L88-Y126 HydrophobicContact CB-CE2 4.29Å; L88-Y126 HydrophobicContact CB-CG 4.46Å; L88-Y126 HydrophobicContact CD1-CD1 3.95Å; L88-Y126 HydrophobicContact CD1-CD2 3.77Å; L88-Y126 HydrophobicContact CD1-CE1 4.41Å; L88-Y126 HydrophobicContact CD1-CE2 4.25Å; L88-Y126 HydrophobicContact CD1-CG 3.6Å; L88-Y126 HydrophobicContact CD2-CD1 4.34Å; L88-Y126 HydrophobicContact CG-CD1 4.35Å; L88-Y126 HydrophobicContact CG-CG 4.47Å
89N94.8Very high93.4Very high112 Ų11258 Ų5860%0.59930%0.303SS*.Hα-helixtrans-58.5-24.6171.6-62.5-22.4000113.4N87 D92 T93N87-N89 PolarHBondContact O-N 3.48Å; N89-D92 WeakPolarHBondContact CA-OD2 2.98Å; N89-D92 WeakPolarHBondContact O-CB 3.47Å; N89-D92 PolarHBondContact O-N 2.61Å; N89-D92 PolarHBondContact OD1-OD2 3.02Å; N89-T93 PolarHBondContact O-N 3.47Å; N89-T93 VanDerWaalsContact O-N 3.15Å; N89-T93 PolarHBondContact O-OG1 3.41Å; N89-T93 VanDerWaalsContact O-OG1 3.11Å
90W97Very high92.8Very high46 Ų4655.8 Ų55.817%0.17430%0.299CS..Hα-helixtrans-62.4-45.6172173.180.8000111A52 D53 I54 L57 L84 N87 L88 D92 T93 A94A52-W90 HydrophobicContact CB-CH2 4.03Å; A52-W90 HydrophobicContact CB-CZ2 4.19Å; D53-W90 VanDerWaalsContact O-CZ2 3.24Å; D53-W90 WeakPolarHBondContact O-CZ2 3.4Å; I54-W90 HydrophobicContact CB-CH2 4.35Å; L57-W90 HydrophobicContact CB-CD2 4.12Å; L57-W90 HydrophobicContact CB-CG 4.19Å; L57-W90 HydrophobicContact CD1-CB 4.22Å; L57-W90 HydrophobicContact CD1-CG 4.21Å; L57-W90 HydrophobicContact CD2-CB 4.16Å; L57-W90 HydrophobicContact CD2-CD2 4.09Å; L57-W90 HydrophobicContact CD2-CE3 4.15Å; L57-W90 HydrophobicContact CD2-CG 4.08Å; L57-W90 HydrophobicContact CG-CG 4.39Å; L84-W90 HydrophobicContact CD1-CE3 3.56Å; L84-W90 HydrophobicContact CD1-CZ3 3.89Å; N87-W90 WeakPolarHBondContact O-CB 3.37Å; N87-W90 PolarHBondContact O-N 3.21Å; L88-W90 PolarHBondContact O-N 2.89Å; W90-D92 PolarHBondContact O-N 2.84Å; W90-T93 PolarHBondContact O-N 3.17Å; W90-T93 VanDerWaalsContact O-N 3.16Å; W90-A94 WeakPolarHBondContact O-CB 3.3Å; W90-A94 PolarHBondContact O-N 3.23Å
91L95.4Very high92.5Very high0 Ų056.4 Ų56.40%030%0.302CS..Hα-helixtrans-60.3-37.7173.6-70.2172000111L39 L84 L88 T93 A94 L95 I123 M127 W131L39-L91 HydrophobicContact CD2-CD2 4.47Å; L84-L91 HydrophobicContact CD1-CD1 4.3Å; L84-L91 HydrophobicContact CD1-CG 4.14Å; L88-L91 HydrophobicContact CD2-CD1 3.85Å; L88-L91 WeakPolarHBondContact O-CB 3.47Å; L88-L91 PolarHBondContact O-N 2.86Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.23Å; L91-A94 PolarHBondContact O-N 3.36Å; L91-L95 HydrophobicContact CB-CD1 4.39Å; L91-L95 HydrophobicContact CD2-CD1 4.45Å; L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.85Å; L91-I123 HydrophobicContact CD1-CG2 4.15Å; L91-M127 HydrophobicContact CD1-SD 4.36Å; L91-W131 HydrophobicContact CB-CH2 4.21Å; L91-W131 HydrophobicContact CB-CZ3 4.49Å
92D93.2Very high92.5Very high32 Ų3256.6 Ų56.617%0.17130%0.302CS..Hα-helixtrans-59-43.2177.4-51.5-25.8000112.5L88 N89 W90 G96 Y126 K130 W131L88-D92 PolarHBondContact O-N 3.08Å; N89-D92 WeakPolarHBondContact CA-OD2 2.98Å; N89-D92 WeakPolarHBondContact O-CB 3.47Å; N89-D92 PolarHBondContact O-N 2.61Å; N89-D92 PolarHBondContact OD1-OD2 3.02Å; W90-D92 PolarHBondContact O-N 2.84Å; D92-G96 PolarHBondContact O-N 2.86Å; D92-Y126 WeakPolarHBondContact OD1-CE1 3.5Å; D92-Y126 PolarHBondContact OD1-OH 3.17Å; D92-Y126 PolarHBondContact OD2-OH 3.47Å; D92-K130 WeakPolarHBondContact OD1-CE 3.29Å; D92-K130 IonicContact OD1-NZ 2.91Å; D92-K130 PolarHBondContact OD1-NZ 2.76Å; D92-K130 IonicContact OD2-NZ 2.6Å; D92-K130 PolarHBondContact OD2-NZ 3.29Å; D92-W131 HydrophobicContact CB-CH2 4.12Å; D92-W131 HydrophobicContact CB-CZ2 3.72Å; D92-W131 WeakPolarHBondContact OD1-CH2 3.41Å; D92-W131 WeakPolarHBondContact OD1-CZ2 3.31Å
93T93.8Very high92.6Very high123 Ų12352.6 Ų52.676%0.75528%0.284SS*.Hα-helixtrans-73.5-39.8-178-52.90000110.7N89 W90 L91N89-T93 PolarHBondContact O-N 3.47Å; N89-T93 VanDerWaalsContact O-N 3.15Å; N89-T93 PolarHBondContact O-OG1 3.41Å; N89-T93 VanDerWaalsContact O-OG1 3.11Å; W90-T93 PolarHBondContact O-N 3.17Å; W90-T93 VanDerWaalsContact O-N 3.16Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.23Å
94A93.5Very high92.6Very high29 Ų2948.5 Ų48.524%0.2427%0.268CS..Hα-helixtrans-75.6-37.5-174.400000112.8A52 W90 L91A52-A94 HydrophobicContact CB-CB 3.59Å; W90-A94 WeakPolarHBondContact O-CB 3.3Å; W90-A94 PolarHBondContact O-N 3.23Å; L91-A94 PolarHBondContact O-N 3.36Å
95L93.3Very high92.6Very high3 Ų348.6 Ų48.62%0.01627%0.268CS..Hα-helixtrans-87.5-23.5-178.5-58.5-176.4000113.3R3 V37 L51 L91 L103 F105 M127 W131 F133R3-L95 PolarHBondContact NH2-O 2.81Å; V37-L95 HydrophobicContact CG2-CD2 3.64Å; L51-L95 HydrophobicContact CD2-CD2 4.12Å; L91-L95 HydrophobicContact CB-CD1 4.39Å; L91-L95 HydrophobicContact CD2-CD1 4.45Å; L91-L95 VanDerWaalsContact O-CB 3.29Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.41Å; L91-L95 PolarHBondContact O-N 2.85Å; L95-L103 HydrophobicContact CD1-CD1 4.21Å; L95-L103 HydrophobicContact CD2-CD1 3.87Å; L95-F105 HydrophobicContact CD1-CZ 4.34Å; L95-M127 HydrophobicContact CD1-CE 3.73Å; L95-W131 HydrophobicContact CD1-CZ3 4.16Å; L95-F133 HydrophobicContact CD1-CZ 4.46Å
96G89.8Confident92.7Very high26 Ų2646.6 Ų46.627%0.26826%0.259SS..  trans57.6-167.9-17600000114.1R3 D92R3-G96 PolarHBondContact NH1-O 3Å; D92-G96 PolarHBondContact O-N 2.86Å
97D84.4Confident92.7Very high145 Ų14539.9 Ų39.978%0.77523%0.227SC*.SBendtrans-107.774.3179.3-65.7-33.2000109.7
98I83.6Confident92.6Very high74 Ų7437.1 Ų37.138%0.37921%0.213SC..  trans-107.4111.4175.9-53.3177000108.2R3 D101R3-I98 PolarHBondContact NE-O 3.11Å; I98-D101 HydrophobicContact CB-CB 4.3Å; I98-D101 HydrophobicContact CG2-CB 3.98Å
99D79.1Confident92.5Very high133 Ų13336.5 Ų36.571%0.71121%0.211SC*.THydrogen-bonded Turntrans-70.1137.3175.4-78.3-22.1000111D101D99-D101 VanDerWaalsContact C-N 3.27Å; D99-D101 PolarHBondContact O-N 3.02Å
100G82Confident92.4Very high17 Ų1734 Ų3418%0.17520%0.196CC..THydrogen-bonded Turntrans71.215.8172.900000115.2P2P2-G100 WeakPolarHBondContact O-CA 3.37Å
101D90.5Very high92Very high13 Ų1334.5 Ų34.57%0.0720%0.201CC..  trans-68.8161.8175.474.2-20.8000112.3R3 F4 I98 D99R3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R3-D101 WeakPolarHBondContact CD-OD1 3.37Å; R3-D101 WeakPolarHBondContact CG-OD1 3.5Å; R3-D101 IonicContact CZ-OD1 2.89Å; R3-D101 IonicContact CZ-OD2 3.84Å; R3-D101 VanDerWaalsContact NE-CG 3.29Å; R3-D101 IonicContact NE-OD1 3.33Å; R3-D101 PolarHBondContact NE-OD1 3.15Å; R3-D101 IonicContact NE-OD2 3.23Å; R3-D101 PolarHBondContact NE-OD2 3.46Å; R3-D101 IonicContact NH2-OD1 2.68Å; R3-D101 IonicContact NH2-OD2 3.35Å; R3-D101 PolarHBondContact NH2-OD2 3.2Å; F4-D101 PolarHBondContact N-O 3.27Å; I98-D101 HydrophobicContact CB-CB 4.3Å; I98-D101 HydrophobicContact CG2-CB 3.98Å; D99-D101 VanDerWaalsContact C-N 3.27Å; D99-D101 PolarHBondContact O-N 3.02Å
102Y95.6Very high91.8Very high4 Ų438.7 Ų38.72%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-128.1112.8-178.5-160.8-72.3000109.4F4 Q6 V34 D35 L104 I259 L263 Y265F4-Y102 HydrophobicContact CB-CD2 3.39Å; F4-Y102 HydrophobicContact CB-CE2 3.72Å; F4-Y102 HydrophobicContact CB-CG 4.12Å; F4-Y102 HydrophobicContact CD2-CD2 4.41Å; F4-Y102 HydrophobicContact CG-CD2 4.11Å; F4-Y102 HydrophobicContact CG-CE2 4.41Å; F4-Y102 WeakPolarHBondContact O-CA 3.28Å; Q6-Y102 HydrophobicContact CG-CE1 3.88Å; Q6-Y102 VanDerWaalsContact NE2-CE1 3.33Å; Q6-Y102 PolarHBondContact NE2-OH 3.24Å; V34-Y102 WeakPolarHBondContact CA-O 3.14Å; V34-Y102 HydrophobicContact CG1-CD1 4.07Å; V34-Y102 HydrophobicContact CG2-CD1 3.78Å; V34-Y102 HydrophobicContact CG2-CG 4.2Å; D35-Y102 PolarHBondContact N-O 3.23Å; D35-Y102 VanDerWaalsContact N-O 3.08Å; Y102-L104 HydrophobicContact CD1-CD2 4.42Å; Y102-L104 HydrophobicContact CE1-CD2 4.01Å; Y102-I259 WeakPolarHBondContact OH-CG2 2.86Å; Y102-L263 HydrophobicContact CE2-CD1 3.66Å; Y102-L263 WeakPolarHBondContact OH-CD1 3.33Å; Y102-Y265 AromaticContact CD2-CD2 3.69Å; Y102-Y265 HydrophobicContact CD2-CD2 3.69Å; Y102-Y265 AromaticContact CD2-CE2 3.54Å; Y102-Y265 HydrophobicContact CD2-CE2 3.54Å; Y102-Y265 AromaticContact CE2-CD2 3.85Å; Y102-Y265 HydrophobicContact CE2-CD2 3.85Å; Y102-Y265 HydrophobicContact CE2-CE2 4.12Å; Y102-Y265 HydrophobicContact CE2-CG 4.45Å
103L97.4Very high91.7Very high0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-115.2139.2-170.9-59.1-175.8000112.3F4 A5 Q6 D35 L51 L95 F105 F133F4-L103 PolarHBondContact O-N 3.4Å; A5-L103 CarbonylContact C-O 3.59Å; A5-L103 VanDerWaalsContact CA-O 3.29Å; A5-L103 WeakPolarHBondContact CA-O 3.47Å; Q6-L103 PolarHBondContact N-O 3.48Å; D35-L103 HydrophobicContact CB-CD2 3.72Å; D35-L103 CarbonylContact O-C 3.54Å; D35-L103 WeakPolarHBondContact O-CA 3.29Å; L51-L103 HydrophobicContact CD2-CD2 4.1Å; L95-L103 HydrophobicContact CD1-CD1 4.21Å; L95-L103 HydrophobicContact CD2-CD1 3.87Å; L103-F105 HydrophobicContact CB-CD2 4.36Å; L103-F105 HydrophobicContact CB-CE2 3.69Å; L103-F105 HydrophobicContact CB-CZ 4.11Å; L103-F105 HydrophobicContact CD1-CE2 4.09Å; L103-F105 HydrophobicContact CD1-CZ 3.75Å; L103-F133 HydrophobicContact CD1-CE1 3.77Å; L103-F133 HydrophobicContact CD1-CZ 3.55Å; L103-F133 HydrophobicContact CG-CE1 4.31Å; L103-F133 HydrophobicContact CG-CZ 4.48Å
104L98.3Very high91.7Very high0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-105.3121.4167.1-49.2-176.9000108.7Q6 C20 M23 V34 D35 V36 V37 Y102Q6-L104 HydrophobicContact CB-CD2 3.68Å; Q6-L104 HydrophobicContact CG-CD2 3.7Å; C20-L104 HydrophobicContact CB-CD1 4.43Å; M23-L104 HydrophobicContact CB-CD1 3.86Å; M23-L104 HydrophobicContact CG-CD1 3.89Å; M23-L104 HydrophobicContact CG-CD2 4.41Å; V34-L104 HydrophobicContact CG1-CD1 3.75Å; V34-L104 HydrophobicContact CG1-CD2 3.97Å; V34-L104 HydrophobicContact CG1-CG 3.5Å; V34-L104 VanDerWaalsContact CG1-CG 3.5Å; D35-L104 PolarHBondContact O-N 2.9Å; V36-L104 CarbonylContact C-O 3.22Å; V36-L104 WeakPolarHBondContact CA-O 3.27Å; V36-L104 HydrophobicContact CG1-CB 4.42Å; V36-L104 HydrophobicContact CG2-CB 4.25Å; V36-L104 HydrophobicContact CG2-CD1 4.17Å; V37-L104 PolarHBondContact N-O 3.26Å; Y102-L104 HydrophobicContact CD1-CD2 4.42Å; Y102-L104 HydrophobicContact CE1-CD2 4.01Å
105F97.9Very high91.3Very high2 Ų231.9 Ų31.91%0.00918%0.179CC..EExtended strand (participates in β ladder)trans-98.1108.4174.4-68.7-87000109.3A5 Q6 L7 V8 V37 L39 L95 L103 C107 M127 F135A5-F105 HydrophobicContact CB-CD2 3.99Å; A5-F105 HydrophobicContact CB-CE2 3.65Å; Q6-F105 PolarHBondContact O-N 3.02Å; L7-F105 HydrophobicContact CD1-CB 3.9Å; L7-F105 HydrophobicContact CD1-CG 4.5Å; V8-F105 WeakPolarHBondContact CB-O 3.48Å; V8-F105 PolarHBondContact N-O 3.49Å; V37-F105 HydrophobicContact CB-CD1 3.69Å; V37-F105 HydrophobicContact CB-CE1 3.76Å; V37-F105 HydrophobicContact CB-CG 4.48Å; V37-F105 HydrophobicContact CG1-CD1 3.75Å; V37-F105 HydrophobicContact CG1-CE1 3.75Å; V37-F105 HydrophobicContact CG2-CD1 4.32Å; V37-F105 HydrophobicContact CG2-CE1 3.93Å; V37-F105 HydrophobicContact CG2-CZ 4.37Å; V37-F105 WeakPolarHBondContact O-CA 3.4Å; L39-F105 HydrophobicContact CD1-CB 4.19Å; L39-F105 HydrophobicContact CD1-CD1 3.68Å; L39-F105 HydrophobicContact CD1-CG 4.32Å; L39-F105 HydrophobicContact CG-CD1 4.03Å; L95-F105 HydrophobicContact CD1-CZ 4.34Å; L103-F105 HydrophobicContact CB-CD2 4.36Å; L103-F105 HydrophobicContact CB-CE2 3.69Å; L103-F105 HydrophobicContact CB-CZ 4.11Å; L103-F105 HydrophobicContact CD1-CE2 4.09Å; L103-F105 HydrophobicContact CD1-CZ 3.75Å; F105-C107 PolarHBondContact O-N 3.4Å; F105-C107 PolarHBondContact O-SG 2.88Å; F105-M127 HydrophobicContact CE1-CE 3.86Å; F105-M127 HydrophobicContact CE1-SD 4.41Å; F105-M127 HydrophobicContact CE2-CE 3.92Å; F105-M127 HydrophobicContact CZ-CE 3.23Å; F105-M127 HydrophobicContact CZ-SD 4.23Å; F105-F135 HydrophobicContact CD2-CE1 4.17Å; F105-F135 HydrophobicContact CE2-CE1 4.11Å
106D97.4Very high90.9Very high0 Ų037.9 Ų37.90%021%0.206CC..EExtended strand (participates in β ladder)trans-83105.4174.1-167.19.7000109.2K16 S17 V37 L39 D40 Y48K16-D106 VanDerWaalsContact CB-OD1 3.29Å; K16-D106 WeakPolarHBondContact CB-OD1 3.48Å; S17-D106 WeakPolarHBondContact CA-OD2 3.39Å; S17-D106 WeakPolarHBondContact CB-OD2 3.39Å; S17-D106 PolarHBondContact OG-OD2 2.79Å; V37-D106 PolarHBondContact O-N 3.24Å; L39-D106 WeakPolarHBondContact CA-O 3.44Å; L39-D106 PolarHBondContact N-O 2.7Å; D40-D106 PolarHBondContact N-O 2.93Å; Y48-D106 WeakPolarHBondContact OH-CB 3.39Å; Y48-D106 PolarHBondContact OH-OD2 2.91Å
107C96.6Very high91Very high0 Ų038 Ų380%020%0.201CC..  trans-100.8159.6-171-56.50000112.5L7 V8 I9 K16 F105 Y114L7-C107 WeakPolarHBondContact CD1-SG 3.01Å; V8-C107 VanDerWaalsContact O-CB 3.27Å; V8-C107 WeakPolarHBondContact O-CB 3.49Å; V8-C107 PolarHBondContact O-N 3.33Å; I9-C107 HydrophobicContact CG2-CB 4.02Å; K16-C107 WeakPolarHBondContact CD-O 3.4Å; K16-C107 WeakPolarHBondContact CE-O 3.26Å; F105-C107 PolarHBondContact O-N 3.4Å; F105-C107 PolarHBondContact O-SG 2.88Å; C107-Y114 HydrophobicContact CB-CE1 4.11Å; C107-Y114 WeakPolarHBondContact CB-OH 3.34Å
108P95.5Very high91.4Very high0 Ų034.3 Ų34.30%019%0.185CC..  trans-53.3149.2180-24.129.6000115.3L39 D40 L81 Q110 L113 Y114L39-P108 WeakPolarHBondContact O-CD 3.49Å; L39-P108 WeakPolarHBondContact O-CG 3.37Å; D40-P108 HydrophobicContact CB-CG 4.4Å; L81-P108 HydrophobicContact CD1-CG 4.21Å; L81-P108 HydrophobicContact CD2-CG 4.18Å; L81-P108 HydrophobicContact CG-CG 4.47Å; P108-Q110 PolarHBondContact O-N 3.23Å; P108-L113 HydrophobicContact CB-CD1 3.55Å; P108-L113 HydrophobicContact CG-CD1 4.04Å; P108-Y114 VanDerWaalsContact CD-OH 3.26Å; P108-Y114 WeakPolarHBondContact CD-OH 3.34Å; P108-Y114 WeakPolarHBondContact O-CE2 3.27Å; P108-Y114 PolarHBondContact O-OH 3.46Å
109G92.9Very high91.9Very high8 Ų831 Ų318%0.08217%0.168CC..SBendtrans-76.6-8.7-177.200000117.7P11 A12 K16 I111P11-G109 CarbonylContact C-O 3.57Å; P11-G109 WeakPolarHBondContact CA-O 3.32Å; A12-G109 PolarHBondContact N-O 3.38Å; K16-G109 VanDerWaalsContact NZ-CA 3.27Å; G109-I111 PolarHBondContact O-N 2.9Å
110Q92.9Very high92.7Very high60 Ų6024.7 Ų24.728%0.2813%0.134SC..  trans-85114.8-177.7-55.3-54.8-34.500110.4L77 P108 E112 L113L77-Q110 HydrophobicContact CD1-CB 4.37Å; L77-Q110 HydrophobicContact CD1-CG 3.41Å; L77-Q110 VanDerWaalsContact CD1-CG 3.41Å; P108-Q110 PolarHBondContact O-N 3.23Å; Q110-E112 PolarHBondContact O-N 3.48Å; Q110-L113 HydrophobicContact CB-CD1 4Å; Q110-L113 HydrophobicContact CB-CG 4.32Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 WeakPolarHBondContact O-CG 3.49Å; Q110-L113 PolarHBondContact O-N 3.35Å
111I89.8Confident93.3Very high55 Ų5525.3 Ų25.328%0.28214%0.135SC..THydrogen-bonded Turntrans-66.6-23.1-172.658.7169.9000113.2P11 G109 L113 Y114 S115P11-I111 HydrophobicContact CB-CG2 4.25Å; P11-I111 HydrophobicContact CG-CG2 3.87Å; G109-I111 PolarHBondContact O-N 2.9Å; I111-L113 PolarHBondContact O-N 3.21Å; I111-Y114 PolarHBondContact O-N 3.32Å; I111-S115 PolarHBondContact O-N 2.87Å
112E89.9Confident93.6Very high88 Ų8830.7 Ų30.741%0.41116%0.155SC..Hα-helixtrans-56.5-31.9177.6-65.882.5175.100111.3Q110 Y114 S115Q110-E112 PolarHBondContact O-N 3.48Å; E112-Y114 PolarHBondContact O-N 3.32Å; E112-S115 WeakPolarHBondContact CA-OG 3.29Å; E112-S115 PolarHBondContact O-N 2.89Å; E112-S115 PolarHBondContact O-OG 3.04Å
113L92.3Very high93.6Very high3 Ų330.7 Ų30.72%0.01616%0.155CC..Hα-helixtrans-64.7-22.6179.1-61.2166.7000113.2L77 I78 L81 P108 Q110 I111 L117L77-L113 HydrophobicContact CB-CD1 4.49Å; I78-L113 HydrophobicContact CB-CD2 4.49Å; I78-L113 HydrophobicContact CG1-CD2 3.66Å; L81-L113 HydrophobicContact CD1-CB 4.19Å; L81-L113 HydrophobicContact CD1-CD1 3.91Å; L81-L113 HydrophobicContact CD1-CD2 3.88Å; L81-L113 HydrophobicContact CD1-CG 4.19Å; P108-L113 HydrophobicContact CB-CD1 3.55Å; P108-L113 HydrophobicContact CG-CD1 4.04Å; Q110-L113 HydrophobicContact CB-CD1 4Å; Q110-L113 HydrophobicContact CB-CG 4.32Å; Q110-L113 WeakPolarHBondContact O-CB 3.4Å; Q110-L113 WeakPolarHBondContact O-CG 3.49Å; Q110-L113 PolarHBondContact O-N 3.35Å; I111-L113 PolarHBondContact O-N 3.21Å; L113-L117 HydrophobicContact CD2-CD1 4.08Å
114Y92.6Very high93.6Very high2 Ų231 Ų311%0.00816%0.156CC..Hα-helixtrans-107.8-8.5-177.8-45.4-70.4000113.5I9 C107 P108 I111 E112 M120 S165I9-Y114 HydrophobicContact CB-CD1 4.44Å; I9-Y114 HydrophobicContact CB-CD2 4.2Å; I9-Y114 HydrophobicContact CB-CE1 4.27Å; I9-Y114 HydrophobicContact CB-CE2 4.04Å; I9-Y114 HydrophobicContact CB-CG 4.41Å; I9-Y114 HydrophobicContact CD1-CD1 4.49Å; I9-Y114 HydrophobicContact CD1-CD2 4.48Å; I9-Y114 HydrophobicContact CD1-CG 4.18Å; I9-Y114 HydrophobicContact CG2-CD1 3.84Å; I9-Y114 HydrophobicContact CG2-CD2 4.45Å; I9-Y114 HydrophobicContact CG2-CE1 3.53Å; I9-Y114 HydrophobicContact CG2-CE2 4.19Å; I9-Y114 HydrophobicContact CG2-CG 4.3Å; C107-Y114 HydrophobicContact CB-CE1 4.11Å; C107-Y114 WeakPolarHBondContact CB-OH 3.34Å; P108-Y114 VanDerWaalsContact CD-OH 3.26Å; P108-Y114 WeakPolarHBondContact CD-OH 3.34Å; P108-Y114 WeakPolarHBondContact O-CE2 3.27Å; P108-Y114 PolarHBondContact O-OH 3.46Å; I111-Y114 PolarHBondContact O-N 3.32Å; E112-Y114 PolarHBondContact O-N 3.32Å; Y114-M120 HydrophobicContact CD1-CB 4.34Å; Y114-M120 HydrophobicContact CD1-CG 3.78Å; Y114-M120 HydrophobicContact CE1-CE 4.37Å; Y114-M120 HydrophobicContact CE1-CG 3.78Å; Y114-M120 HydrophobicContact CE1-SD 4.4Å; Y114-S165 WeakPolarHBondContact O-CB 3.35Å; Y114-S165 PolarHBondContact O-OG 3.42Å
115S85.5Confident93.5Very high37 Ų3734.6 Ų34.626%0.25917%0.173SC..Hα-helixtrans-89.5-44.2-171.256.70000114.1I111 E112 S161 S165I111-S115 PolarHBondContact O-N 2.87Å; E112-S115 WeakPolarHBondContact CA-OG 3.29Å; E112-S115 PolarHBondContact O-N 2.89Å; E112-S115 PolarHBondContact O-OG 3.04Å; S115-S161 WeakPolarHBondContact CB-OG 3.21Å; S115-S165 WeakPolarHBondContact O-CB 3.49Å
116H85.2Confident93.4Very high128 Ų12837.1 Ų37.159%0.59318%0.183SC*.THydrogen-bonded Turntrans-142.4-12.8-171.763.3-78.2000114.5
117L91.5Very high93.3Very high30 Ų3037.2 Ų37.216%0.15718%0.183CC..  trans-81.8126179-62.1-178.8000109.9I78 L113 I119I78-L117 HydrophobicContact CD1-CD1 3.85Å; I78-L117 HydrophobicContact CG1-CD1 3.7Å; I78-L117 HydrophobicContact CG2-CD1 4.2Å; L113-L117 HydrophobicContact CD2-CD1 4.08Å; L117-I119 HydrophobicContact CB-CD1 4.13Å; L117-I119 HydrophobicContact CB-CG1 4.29Å; L117-I119 HydrophobicContact CD1-CD1 4.22Å; L117-I119 PolarHBondContact O-N 3.37Å
118P92.8Very high93.3Very high67 Ų6741 Ų4144%0.43520%0.201SC..SBendtrans-8032.3-17736.1-38.2000112.3R122P118-R122 WeakPolarHBondContact O-CD 3.46Å; P118-R122 WeakPolarHBondContact O-CG 3.38Å
119I94.6Very high93.2Very high3 Ų350.1 Ų50.12%0.01524%0.236CC..SBendtrans-86.5-61.9-176.4-57.5165.8000109.4I78 L81 E82 Q85 L117 R122 I123I78-I119 HydrophobicContact CG2-CD1 4.1Å; L81-I119 HydrophobicContact CB-CD1 4.4Å; L81-I119 HydrophobicContact CB-CG2 3.75Å; L81-I119 WeakPolarHBondContact O-CG2 3.16Å; E82-I119 HydrophobicContact CG-CD1 3.58Å; E82-I119 HydrophobicContact CG-CG1 4.07Å; Q85-I119 HydrophobicContact CB-CG2 4.01Å; Q85-I119 HydrophobicContact CG-CG2 4.32Å; L117-I119 HydrophobicContact CB-CD1 4.13Å; L117-I119 HydrophobicContact CB-CG1 4.29Å; L117-I119 HydrophobicContact CD1-CD1 4.22Å; L117-I119 PolarHBondContact O-N 3.37Å; I119-R122 WeakPolarHBondContact O-CB 3.42Å; I119-R122 PolarHBondContact O-N 2.78Å; I119-R122 VanDerWaalsContact O-N 3.11Å; I119-I123 HydrophobicContact CG2-CD1 4.02Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.05Å
120M95.1Very high93.2Very high1 Ų154.4 Ų54.41%0.00525%0.252CS..Hα-helixtrans-59.8-43.5179.2-65.5-57.3-6000113.2L7 L39 L81 Y114 R122 I123 I124 L166L7-M120 HydrophobicContact CD1-CE 3.81Å; L7-M120 HydrophobicContact CD2-CE 4.41Å; L39-M120 HydrophobicContact CD1-CE 4.41Å; L81-M120 HydrophobicContact CD1-SD 4.24Å; Y114-M120 HydrophobicContact CD1-CB 4.34Å; Y114-M120 HydrophobicContact CD1-CG 3.78Å; Y114-M120 HydrophobicContact CE1-CE 4.37Å; Y114-M120 HydrophobicContact CE1-CG 3.78Å; Y114-M120 HydrophobicContact CE1-SD 4.4Å; M120-R122 PolarHBondContact O-N 3.19Å; M120-I123 PolarHBondContact O-N 3.44Å; M120-I123 VanDerWaalsContact O-N 3.16Å; M120-I123 HydrophobicContact SD-CD1 3.95Å; M120-I124 VanDerWaalsContact O-CG1 3.28Å; M120-I124 WeakPolarHBondContact O-CG1 3.44Å; M120-I124 PolarHBondContact O-N 3.26Å; M120-L166 HydrophobicContact CB-CD2 3.72Å
121P95.7Very high93.2Very high31 Ų3152.9 Ų52.920%0.20124%0.243CC..Hα-helixtrans-56.8-36.6174.6-26.935.7000113.6E125 S165 L166P121-E125 VanDerWaalsContact O-CB 3.29Å; P121-E125 WeakPolarHBondContact O-CB 3.35Å; P121-E125 PolarHBondContact O-N 2.88Å; P121-S165 WeakPolarHBondContact CG-O 3.4Å; P121-L166 HydrophobicContact CG-CD2 4.19Å
122R96.1Very high93.4Very high126 Ų12654.9 Ų54.948%0.47526%0.255SS..Hα-helixtrans-72.4-38177.5-75.3177.5-178.1163.6-1.7112.7Q85 P118 I119 M120 Y126Q85-R122 HydrophobicContact CG-CB 4.15Å; P118-R122 WeakPolarHBondContact O-CD 3.46Å; P118-R122 WeakPolarHBondContact O-CG 3.38Å; I119-R122 WeakPolarHBondContact O-CB 3.42Å; I119-R122 PolarHBondContact O-N 2.78Å; I119-R122 VanDerWaalsContact O-N 3.11Å; M120-R122 PolarHBondContact O-N 3.19Å; R122-Y126 WeakPolarHBondContact O-CB 3.42Å; R122-Y126 PolarHBondContact O-N 2.92Å
123I96.2Very high93.6Very high4 Ų451 Ų512%0.02124%0.236CC..Hα-helixtrans-62-48174.7-62.8170.7000109.1L84 Q85 L88 L91 I119 M120 Y126 M127L84-I123 HydrophobicContact CD2-CD1 4Å; L84-I123 HydrophobicContact CG-CD1 4.33Å; Q85-I123 HydrophobicContact CB-CG1 4.32Å; Q85-I123 HydrophobicContact CG-CG1 4.23Å; L88-I123 HydrophobicContact CD2-CG1 4.09Å; L88-I123 HydrophobicContact CD2-CG2 4.28Å; L91-I123 HydrophobicContact CD1-CG2 4.15Å; I119-I123 HydrophobicContact CG2-CD1 4.02Å; I119-I123 WeakPolarHBondContact O-CG1 3.34Å; I119-I123 PolarHBondContact O-N 3.05Å; M120-I123 PolarHBondContact O-N 3.44Å; M120-I123 VanDerWaalsContact O-N 3.16Å; M120-I123 HydrophobicContact SD-CD1 3.95Å; I123-Y126 WeakPolarHBondContact O-CB 3.4Å; I123-Y126 PolarHBondContact O-N 3.46Å; I123-M127 HydrophobicContact CG2-SD 4.13Å; I123-M127 VanDerWaalsContact O-CG 3.31Å; I123-M127 WeakPolarHBondContact O-CG 3.25Å; I123-M127 PolarHBondContact O-N 3.25Å
124I96.5Very high93.8Very high6 Ų654 Ų543%0.03125%0.248CC..Hα-helixtrans-58.9-52176.4-65.8164.4000110.7L7 M120 Y126 M127 Q128 F135 L166 T168L7-I124 HydrophobicContact CD2-CD1 3.6Å; L7-I124 HydrophobicContact CD2-CG1 4.27Å; M120-I124 VanDerWaalsContact O-CG1 3.28Å; M120-I124 WeakPolarHBondContact O-CG1 3.44Å; M120-I124 PolarHBondContact O-N 3.26Å; I124-Y126 VanDerWaalsContact C-N 3.26Å; I124-Y126 PolarHBondContact O-N 2.96Å; I124-M127 PolarHBondContact O-N 2.92Å; I124-M127 VanDerWaalsContact O-N 3.12Å; I124-Q128 HydrophobicContact CG2-CG 4.13Å; I124-Q128 WeakPolarHBondContact O-CB 3.41Å; I124-Q128 VanDerWaalsContact O-CG 3.28Å; I124-Q128 WeakPolarHBondContact O-CG 3.38Å; I124-Q128 PolarHBondContact O-N 3.44Å; I124-F135 HydrophobicContact CG2-CD2 3.75Å; I124-F135 HydrophobicContact CG2-CE2 3.97Å; I124-F135 HydrophobicContact CG2-CG 4.26Å; I124-L166 HydrophobicContact CD1-CB 4.37Å; I124-L166 HydrophobicContact CD1-CD2 3.94Å; I124-T168 HydrophobicContact CD1-CG2 4.12Å; I124-T168 HydrophobicContact CG2-CG2 3.96Å
125E96.5Very high94Very high76 Ų7654.5 Ų54.536%0.35525%0.25SC..Hα-helixtrans-57.8-39.7-179.8-177.8-177.5-169.100111.9P121 R129P121-E125 VanDerWaalsContact O-CB 3.29Å; P121-E125 WeakPolarHBondContact O-CB 3.35Å; P121-E125 PolarHBondContact O-N 2.88Å; E125-R129 WeakPolarHBondContact O-CB 3.5Å; E125-R129 WeakPolarHBondContact O-CG 3.48Å; E125-R129 PolarHBondContact O-N 2.84Å; E125-R129 IonicContact OE1-CZ 3.27Å; E125-R129 IonicContact OE1-NE 3.88Å; E125-R129 IonicContact OE1-NH1 2.72Å; E125-R129 PolarHBondContact OE1-NH1 3.13Å; E125-R129 IonicContact OE1-NH2 2.63Å; E125-R129 PolarHBondContact OE1-NH2 3.38Å
126Y96.3Very high94.5Very high54 Ų5452.7 Ų52.721%0.21224%0.237CC..Hα-helixtrans-62-49.9175.3176.4-95.1000111.6L88 D92 R122 I123 I124 R129 K130 W131L88-Y126 HydrophobicContact CB-CD1 4.08Å; L88-Y126 HydrophobicContact CB-CE1 3.77Å; L88-Y126 HydrophobicContact CB-CE2 4.29Å; L88-Y126 HydrophobicContact CB-CG 4.46Å; L88-Y126 HydrophobicContact CD1-CD1 3.95Å; L88-Y126 HydrophobicContact CD1-CD2 3.77Å; L88-Y126 HydrophobicContact CD1-CE1 4.41Å; L88-Y126 HydrophobicContact CD1-CE2 4.25Å; L88-Y126 HydrophobicContact CD1-CG 3.6Å; L88-Y126 HydrophobicContact CD2-CD1 4.34Å; L88-Y126 HydrophobicContact CG-CD1 4.35Å; L88-Y126 HydrophobicContact CG-CG 4.47Å; D92-Y126 WeakPolarHBondContact OD1-CE1 3.5Å; D92-Y126 PolarHBondContact OD1-OH 3.17Å; D92-Y126 PolarHBondContact OD2-OH 3.47Å; R122-Y126 WeakPolarHBondContact O-CB 3.42Å; R122-Y126 PolarHBondContact O-N 2.92Å; I123-Y126 WeakPolarHBondContact O-CB 3.4Å; I123-Y126 PolarHBondContact O-N 3.46Å; I124-Y126 VanDerWaalsContact C-N 3.26Å; I124-Y126 PolarHBondContact O-N 2.96Å; Y126-R129 PolarHBondContact O-N 3.39Å; Y126-K130 HydrophobicContact CE1-CD 3.79Å; Y126-K130 HydrophobicContact CE2-CD 4.17Å; Y126-K130 VanDerWaalsContact CZ-CD 3.49Å; Y126-K130 VanDerWaalsContact O-CB 3.22Å; Y126-K130 WeakPolarHBondContact O-CB 3.42Å; Y126-K130 PolarHBondContact O-N 3.24Å; Y126-K130 VanDerWaalsContact OH-CD 3.28Å; Y126-K130 WeakPolarHBondContact OH-CD 3.42Å; Y126-K130 PolarHBondContact OH-NZ 3.06Å; Y126-W131 HydrophobicContact CD1-CZ3 4.45Å; Y126-W131 AromaticContact CE1-CH2 3.95Å; Y126-W131 HydrophobicContact CE1-CH2 3.95Å; Y126-W131 HydrophobicContact CE1-CZ3 4.12Å
127M95.4Very high95.1Very high3 Ų346.6 Ų46.62%0.01521%0.209CC..Hα-helixtrans-63.7-42.6-179.7-67.7-177.470.300112L91 L95 F105 I123 I124 W131 F133 F135L91-M127 HydrophobicContact CD1-SD 4.36Å; L95-M127 HydrophobicContact CD1-CE 3.73Å; F105-M127 HydrophobicContact CE1-CE 3.86Å; F105-M127 HydrophobicContact CE1-SD 4.41Å; F105-M127 HydrophobicContact CE2-CE 3.92Å; F105-M127 HydrophobicContact CZ-CE 3.23Å; F105-M127 HydrophobicContact CZ-SD 4.23Å; I123-M127 HydrophobicContact CG2-SD 4.13Å; I123-M127 VanDerWaalsContact O-CG 3.31Å; I123-M127 WeakPolarHBondContact O-CG 3.25Å; I123-M127 PolarHBondContact O-N 3.25Å; I124-M127 PolarHBondContact O-N 2.92Å; I124-M127 VanDerWaalsContact O-N 3.12Å; M127-W131 HydrophobicContact CB-CE3 4.25Å; M127-W131 HydrophobicContact CE-CZ3 4.48Å; M127-W131 HydrophobicContact CG-CE3 4.14Å; M127-W131 HydrophobicContact CG-CZ3 3.91Å; M127-W131 PolarHBondContact O-N 2.94Å; M127-F133 HydrophobicContact CB-CB 4.36Å; M127-F133 HydrophobicContact CB-CD2 3.81Å; M127-F133 HydrophobicContact CB-CG 4.31Å; M127-F133 HydrophobicContact CE-CD2 3.82Å; M127-F133 HydrophobicContact CE-CE1 4.28Å; M127-F133 HydrophobicContact CE-CE2 3.56Å; M127-F133 HydrophobicContact CE-CG 4.3Å; M127-F133 HydrophobicContact CE-CZ 3.81Å; M127-F135 HydrophobicContact CB-CE2 3.93Å; M127-F135 HydrophobicContact CB-CZ 3.93Å; M127-F135 HydrophobicContact CE-CZ 3.97Å; M127-F135 HydrophobicContact SD-CZ 3.84Å
128Q95.3Very high95.4Very high79 Ų7945.2 Ų45.237%0.36920%0.202SC..Hα-helixtrans-60.1-46.2175.3-71.2-179.1-39.600111.7I124 D132 F133 F135I124-Q128 HydrophobicContact CG2-CG 4.13Å; I124-Q128 WeakPolarHBondContact O-CB 3.41Å; I124-Q128 VanDerWaalsContact O-CG 3.28Å; I124-Q128 WeakPolarHBondContact O-CG 3.38Å; I124-Q128 PolarHBondContact O-N 3.44Å; Q128-D132 VanDerWaalsContact O-CA 3.26Å; Q128-D132 WeakPolarHBondContact O-CA 3.38Å; Q128-D132 PolarHBondContact O-N 3.32Å; Q128-D132 VanDerWaalsContact O-N 3.12Å; Q128-F133 WeakPolarHBondContact CG-O 3.47Å; Q128-F135 HydrophobicContact CG-CD2 3.78Å; Q128-F135 HydrophobicContact CG-CE2 3.92Å
129R94.8Very high95.5Very high192 Ų19242.1 Ų42.173%0.72518%0.181SC*.Hα-helixtrans-73.4-35-178.3-76.7-174.6172.2146.512.5113.8E125 Y126E125-R129 WeakPolarHBondContact O-CB 3.5Å; E125-R129 WeakPolarHBondContact O-CG 3.48Å; E125-R129 PolarHBondContact O-N 2.84Å; E125-R129 IonicContact OE1-CZ 3.27Å; E125-R129 IonicContact OE1-NE 3.88Å; E125-R129 IonicContact OE1-NH1 2.72Å; E125-R129 PolarHBondContact OE1-NH1 3.13Å; E125-R129 IonicContact OE1-NH2 2.63Å; E125-R129 PolarHBondContact OE1-NH2 3.38Å; Y126-R129 PolarHBondContact O-N 3.39Å
130K93.1Very high95.5Very high98 Ų9842 Ų4243%0.42618%0.181SC..Hα-helixtrans-84.2-42.9-173.1-174.7167.8179.71600112.5D92 Y126D92-K130 WeakPolarHBondContact OD1-CE 3.29Å; D92-K130 IonicContact OD1-NZ 2.91Å; D92-K130 PolarHBondContact OD1-NZ 2.76Å; D92-K130 IonicContact OD2-NZ 2.6Å; D92-K130 PolarHBondContact OD2-NZ 3.29Å; Y126-K130 HydrophobicContact CE1-CD 3.79Å; Y126-K130 HydrophobicContact CE2-CD 4.17Å; Y126-K130 VanDerWaalsContact CZ-CD 3.49Å; Y126-K130 VanDerWaalsContact O-CB 3.22Å; Y126-K130 WeakPolarHBondContact O-CB 3.42Å; Y126-K130 PolarHBondContact O-N 3.24Å; Y126-K130 VanDerWaalsContact OH-CD 3.28Å; Y126-K130 WeakPolarHBondContact OH-CD 3.42Å; Y126-K130 PolarHBondContact OH-NZ 3.06Å
131W92.4Very high95.4Very high27 Ų2742.2 Ų42.210%0.10218%0.182CC..Hα-helixtrans-12413.6-172.5-56.8-63.1000114.3L91 D92 L95 Y126 M127 F133L91-W131 HydrophobicContact CB-CH2 4.21Å; L91-W131 HydrophobicContact CB-CZ3 4.49Å; D92-W131 HydrophobicContact CB-CH2 4.12Å; D92-W131 HydrophobicContact CB-CZ2 3.72Å; D92-W131 WeakPolarHBondContact OD1-CH2 3.41Å; D92-W131 WeakPolarHBondContact OD1-CZ2 3.31Å; L95-W131 HydrophobicContact CD1-CZ3 4.16Å; Y126-W131 HydrophobicContact CD1-CZ3 4.45Å; Y126-W131 AromaticContact CE1-CH2 3.95Å; Y126-W131 HydrophobicContact CE1-CH2 3.95Å; Y126-W131 HydrophobicContact CE1-CZ3 4.12Å; M127-W131 HydrophobicContact CB-CE3 4.25Å; M127-W131 HydrophobicContact CE-CZ3 4.48Å; M127-W131 HydrophobicContact CG-CE3 4.14Å; M127-W131 HydrophobicContact CG-CZ3 3.91Å; M127-W131 PolarHBondContact O-N 2.94Å; W131-F133 HydrophobicContact CB-CD2 3.78Å; W131-F133 HydrophobicContact CB-CE2 3.86Å; W131-F133 HydrophobicContact CD2-CE2 4.24Å; W131-F133 HydrophobicContact CE3-CD2 4.02Å; W131-F133 AromaticContact CE3-CE2 3.69Å; W131-F133 HydrophobicContact CE3-CE2 3.69Å; W131-F133 HydrophobicContact CG-CE2 4.36Å; W131-F133 PolarHBondContact O-N 3.46Å
132D93Very high95.3Very high97 Ų9740.8 Ų40.852%0.51917%0.173SC..  trans54.941.7179.1-163.635.5000112.5P2 R3 Q128P2-D132 WeakPolarHBondContact CA-O 3.35Å; P2-D132 WeakPolarHBondContact CB-O 3.36Å; R3-D132 PolarHBondContact N-O 2.83Å; Q128-D132 VanDerWaalsContact O-CA 3.26Å; Q128-D132 WeakPolarHBondContact O-CA 3.38Å; Q128-D132 PolarHBondContact O-N 3.32Å; Q128-D132 VanDerWaalsContact O-N 3.12Å
133F95.3Very high94.9Very high6 Ų634.8 Ų34.83%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-67135.3175.9-92.9-80.6000111.6R3 A5 L95 L103 M127 Q128 W131 F135R3-F133 HydrophobicContact CB-CD1 3.56Å; R3-F133 HydrophobicContact CB-CD2 4.1Å; R3-F133 HydrophobicContact CB-CE1 3.44Å; R3-F133 VanDerWaalsContact CB-CE1 3.44Å; R3-F133 HydrophobicContact CB-CE2 3.99Å; R3-F133 HydrophobicContact CB-CG 3.89Å; R3-F133 HydrophobicContact CB-CZ 3.66Å; R3-F133 HydrophobicContact CG-CE2 4.43Å; R3-F133 HydrophobicContact CG-CZ 4.28Å; R3-F133 VanDerWaalsContact NE-CZ 3.28Å; R3-F133 CarbonylContact O-C 3.57Å; R3-F133 VanDerWaalsContact O-CA 3.28Å; R3-F133 WeakPolarHBondContact O-CA 3.41Å; A5-F133 HydrophobicContact CB-CD1 3.64Å; A5-F133 HydrophobicContact CB-CE1 3.97Å; L95-F133 HydrophobicContact CD1-CZ 4.46Å; L103-F133 HydrophobicContact CD1-CE1 3.77Å; L103-F133 HydrophobicContact CD1-CZ 3.55Å; L103-F133 HydrophobicContact CG-CE1 4.31Å; L103-F133 HydrophobicContact CG-CZ 4.48Å; M127-F133 HydrophobicContact CB-CB 4.36Å; M127-F133 HydrophobicContact CB-CD2 3.81Å; M127-F133 HydrophobicContact CB-CG 4.31Å; M127-F133 HydrophobicContact CE-CD2 3.82Å; M127-F133 HydrophobicContact CE-CE1 4.28Å; M127-F133 HydrophobicContact CE-CE2 3.56Å; M127-F133 HydrophobicContact CE-CG 4.3Å; M127-F133 HydrophobicContact CE-CZ 3.81Å; Q128-F133 WeakPolarHBondContact CG-O 3.47Å; W131-F133 HydrophobicContact CB-CD2 3.78Å; W131-F133 HydrophobicContact CB-CE2 3.86Å; W131-F133 HydrophobicContact CD2-CE2 4.24Å; W131-F133 HydrophobicContact CE3-CD2 4.02Å; W131-F133 AromaticContact CE3-CE2 3.69Å; W131-F133 HydrophobicContact CE3-CE2 3.69Å; W131-F133 HydrophobicContact CG-CE2 4.36Å; W131-F133 PolarHBondContact O-N 3.46Å; F133-F135 HydrophobicContact CB-CD2 3.95Å; F133-F135 HydrophobicContact CB-CE2 3.42Å; F133-F135 VanDerWaalsContact CB-CE2 3.42Å; F133-F135 HydrophobicContact CB-CZ 4.04Å; F133-F135 HydrophobicContact CD1-CZ 4.35Å; F133-F135 HydrophobicContact CG-CE2 4.07Å; F133-F135 HydrophobicContact CG-CZ 4.18Å
134R95.4Very high94.4Very high67 Ų6740.8 Ų40.825%0.25317%0.173SC..EExtended strand (participates in β ladder)trans-103.5121.3164.3-66-176.2-175.4174.37.3108.9P2 R3 F4 A5 L263 E268P2-R134 HydrophobicContact CB-CG 4.09Å; R3-R134 PolarHBondContact O-N 3.27Å; F4-R134 HydrophobicContact CD1-CB 4.33Å; A5-R134 PolarHBondContact N-O 2.87Å; R134-L263 HydrophobicContact CB-CD2 4.16Å; R134-L263 WeakPolarHBondContact O-CD2 3.26Å; R134-E268 IonicContact CZ-OE1 2.64Å; R134-E268 IonicContact NH1-OE1 3.64Å; R134-E268 PolarHBondContact NH1-OE1 3.27Å; R134-E268 IonicContact NH2-OE1 3.23Å; R134-E268 PolarHBondContact NH2-OE1 3.13Å
135F96.8Very high93.8Very high12 Ų1244.9 Ų44.95%0.05319%0.19CC..EExtended strand (participates in β ladder)trans-106.2135.4-178.1-76-85.7000111.6A5 L7 F105 I124 M127 Q128 F133 T168A5-F135 HydrophobicContact CB-CD1 3.44Å; A5-F135 VanDerWaalsContact CB-CD1 3.44Å; A5-F135 HydrophobicContact CB-CE1 3.37Å; A5-F135 HydrophobicContact CB-CG 4.18Å; A5-F135 HydrophobicContact CB-CZ 4.06Å; A5-F135 WeakPolarHBondContact O-CA 3.43Å; L7-F135 HydrophobicContact CB-CD1 4.26Å; F105-F135 HydrophobicContact CD2-CE1 4.17Å; F105-F135 HydrophobicContact CE2-CE1 4.11Å; I124-F135 HydrophobicContact CG2-CD2 3.75Å; I124-F135 HydrophobicContact CG2-CE2 3.97Å; I124-F135 HydrophobicContact CG2-CG 4.26Å; M127-F135 HydrophobicContact CB-CE2 3.93Å; M127-F135 HydrophobicContact CB-CZ 3.93Å; M127-F135 HydrophobicContact CE-CZ 3.97Å; M127-F135 HydrophobicContact SD-CZ 3.84Å; Q128-F135 HydrophobicContact CG-CD2 3.78Å; Q128-F135 HydrophobicContact CG-CE2 3.92Å; F133-F135 HydrophobicContact CB-CD2 3.95Å; F133-F135 HydrophobicContact CB-CE2 3.42Å; F133-F135 VanDerWaalsContact CB-CE2 3.42Å; F133-F135 HydrophobicContact CB-CZ 4.04Å; F133-F135 HydrophobicContact CD1-CZ 4.35Å; F133-F135 HydrophobicContact CG-CE2 4.07Å; F133-F135 HydrophobicContact CG-CZ 4.18Å; F135-T168 HydrophobicContact CB-CG2 3.9Å
136V97.3Very high92.8Very high0 Ų041.3 Ų41.30%017%0.174CC..EExtended strand (participates in β ladder)trans-116.1131.2154.466.10000108.2A5 Q6 L7 I138 A169 I171 I259 C262 L263A5-V136 PolarHBondContact O-N 3.07Å; Q6-V136 CarbonylContact C-O 3.49Å; Q6-V136 WeakPolarHBondContact CA-O 3.41Å; Q6-V136 HydrophobicContact CG-CG1 4.06Å; L7-V136 PolarHBondContact N-O 3.43Å; V136-I138 HydrophobicContact CG1-CD1 3.99Å; V136-I138 HydrophobicContact CG2-CD1 4.19Å; V136-A169 HydrophobicContact CG2-CB 4.3Å; V136-I171 HydrophobicContact CG2-CD1 3.9Å; V136-I171 HydrophobicContact CG2-CG1 3.91Å; V136-I259 HydrophobicContact CG1-CG2 3.92Å; V136-C262 HydrophobicContact CG2-CB 4.38Å; V136-L263 HydrophobicContact CB-CD2 4.02Å; V136-L263 HydrophobicContact CB-CG 4.24Å; V136-L263 HydrophobicContact CG1-CD1 3.98Å; V136-L263 HydrophobicContact CG1-CD2 3.97Å; V136-L263 HydrophobicContact CG1-CG 3.92Å
137T97Very high91.9Very high0 Ų039.9 Ų39.90%017%0.171CC..EExtended strand (participates in β ladder)trans-89.7124174.8-67.60000109.1L7 I9 L166 T168 A169 H170 I171L7-T137 CarbonylContact O-C 3.49Å; L7-T137 WeakPolarHBondContact O-CA 3.39Å; I9-T137 HydrophobicContact CD1-CG2 3.36Å; I9-T137 HydrophobicContact CG1-CG2 3.54Å; T137-L166 HydrophobicContact CG2-CD1 3.97Å; T137-T168 WeakPolarHBondContact CB-OG1 3.44Å; T137-T168 PolarHBondContact OG1-OG1 2.99Å; T137-A169 PolarHBondContact N-O 3.02Å; T137-H170 WeakPolarHBondContact CB-NE2 3.29Å; T137-H170 WeakPolarHBondContact CG2-CE1 3.43Å; T137-H170 WeakPolarHBondContact CG2-NE2 3.42Å; T137-H170 CarbonylContact O-C 3.54Å; T137-H170 WeakPolarHBondContact O-CA 3.46Å; T137-I171 PolarHBondContact O-N 3.44Å
138I97.4Very high91.2Very high0 Ų042.2 Ų42.20%018%0.183CC..EExtended strand (participates in β ladder)trans-97103.2175.7-50.7-54.9000107.4Q6 L7 V8 I9 Y19 V136 I140 I171 V173 I259Q6-I138 HydrophobicContact CB-CG1 4.02Å; Q6-I138 HydrophobicContact CG-CG1 4.38Å; L7-I138 PolarHBondContact O-N 3.02Å; V8-I138 HydrophobicContact CG2-CB 4.46Å; I9-I138 PolarHBondContact N-O 2.78Å; I9-I138 VanDerWaalsContact O-O 3.1Å; Y19-I138 HydrophobicContact CE1-CB 4.49Å; Y19-I138 HydrophobicContact CE1-CG1 4.42Å; Y19-I138 HydrophobicContact CE1-CG2 4.13Å; Y19-I138 HydrophobicContact CE2-CG2 4.43Å; V136-I138 HydrophobicContact CG1-CD1 3.99Å; V136-I138 HydrophobicContact CG2-CD1 4.19Å; I138-I140 HydrophobicContact CG2-CD1 4.4Å; I138-I140 HydrophobicContact CG2-CG1 3.96Å; I138-I171 WeakPolarHBondContact CA-O 3.38Å; I138-I171 HydrophobicContact CD1-CB 4.08Å; I138-V173 HydrophobicContact CG2-CB 4.26Å; I138-V173 HydrophobicContact CG2-CG2 3.59Å; I138-I259 HydrophobicContact CD1-CD1 3.67Å; I138-I259 HydrophobicContact CD1-CG1 3.73Å; I138-I259 HydrophobicContact CG1-CD1 4.42Å
139F95.5Very high90.2Very high2 Ų238.8 Ų38.81%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-92105.5178.8-172.5-91.2000110.1I9 L141 A159 A162 I171 N172 V173I9-F139 HydrophobicContact CD1-CD2 3.77Å; I9-F139 HydrophobicContact CD1-CE2 4.48Å; I9-F139 HydrophobicContact CG1-CB 4.38Å; I9-F139 HydrophobicContact CG1-CD2 3.75Å; I9-F139 WeakPolarHBondContact O-CA 3.31Å; F139-L141 HydrophobicContact CD1-CD2 4.38Å; F139-L141 HydrophobicContact CD1-CG 3.99Å; F139-L141 HydrophobicContact CE1-CD1 3.9Å; F139-L141 HydrophobicContact CE1-CD2 3.48Å; F139-L141 VanDerWaalsContact CE1-CD2 3.48Å; F139-L141 HydrophobicContact CE1-CG 3.48Å; F139-L141 VanDerWaalsContact CE1-CG 3.48Å; F139-L141 HydrophobicContact CZ-CD2 4.01Å; F139-L141 HydrophobicContact CZ-CG 4.47Å; F139-A159 HydrophobicContact CD1-CB 3.59Å; F139-A159 HydrophobicContact CD2-CB 4.49Å; F139-A159 HydrophobicContact CE1-CB 3.57Å; F139-A159 HydrophobicContact CG-CB 4.08Å; F139-A159 HydrophobicContact CZ-CB 4.09Å; F139-A162 HydrophobicContact CD2-CB 4.25Å; F139-A162 HydrophobicContact CE2-CB 4.3Å; F139-I171 PolarHBondContact N-O 3.2Å; F139-N172 CarbonylContact O-C 3.48Å; F139-N172 WeakPolarHBondContact O-CA 3.04Å; F139-V173 PolarHBondContact O-N 2.97Å
140I95.6Very high89.5Confident1 Ų133.1 Ų33.11%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-94.2123.7-175.3-57-178.2000110.6V8 I9 P11 C14 K16 Y19 I138 V173 S175V8-I140 HydrophobicContact CG1-CD1 3.54Å; V8-I140 HydrophobicContact CG1-CG1 4.28Å; I9-I140 PolarHBondContact O-N 3.25Å; P11-I140 WeakPolarHBondContact CD-O 3.28Å; C14-I140 HydrophobicContact CB-CG2 4.14Å; C14-I140 PolarHBondContact SG-O 3.45Å; K16-I140 HydrophobicContact CG-CD1 4.46Å; Y19-I140 VanDerWaalsContact CB-CD1 3.46Å; Y19-I140 HydrophobicContact CD1-CD1 3.95Å; Y19-I140 HydrophobicContact CD2-CD1 4.1Å; Y19-I140 HydrophobicContact CG-CD1 3.55Å; I138-I140 HydrophobicContact CG2-CD1 4.4Å; I138-I140 HydrophobicContact CG2-CG1 3.96Å; I140-V173 WeakPolarHBondContact CA-O 3.38Å; I140-V173 HydrophobicContact CG1-CB 4.31Å; I140-S175 WeakPolarHBondContact CG2-OG 3.25Å
141L92.6Very high89.1Confident5 Ų532.9 Ų32.93%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-112.9148.3165.4-69.6-175.6000110.9P11 F139 L146 V173 M174 S175 F241P11-L141 HydrophobicContact CG-CD2 3.75Å; F139-L141 HydrophobicContact CD1-CD2 4.38Å; F139-L141 HydrophobicContact CD1-CG 3.99Å; F139-L141 HydrophobicContact CE1-CD1 3.9Å; F139-L141 HydrophobicContact CE1-CD2 3.48Å; F139-L141 VanDerWaalsContact CE1-CD2 3.48Å; F139-L141 HydrophobicContact CE1-CG 3.48Å; F139-L141 VanDerWaalsContact CE1-CG 3.48Å; F139-L141 HydrophobicContact CZ-CD2 4.01Å; F139-L141 HydrophobicContact CZ-CG 4.47Å; L141-L146 HydrophobicContact CD1-CD2 3.92Å; L141-V173 PolarHBondContact N-O 2.62Å; L141-M174 CarbonylContact O-C 3.56Å; L141-M174 WeakPolarHBondContact O-CA 3.12Å; L141-S175 PolarHBondContact O-N 2.63Å; L141-S175 PolarHBondContact O-OG 2.83Å; L141-F241 HydrophobicContact CB-CE1 4.04Å; L141-F241 HydrophobicContact CD1-CE1 3.47Å; L141-F241 VanDerWaalsContact CD1-CE1 3.47Å; L141-F241 HydrophobicContact CD1-CZ 3.48Å; L141-F241 VanDerWaalsContact CD1-CZ 3.48Å; L141-F241 HydrophobicContact CG-CE1 3.85Å; L141-F241 HydrophobicContact CG-CZ 4.32Å
142D92Very high88.4Confident2 Ų231.9 Ų31.91%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-79.6130172.3174.4-29.4000109.1R144 F145 K176D142-R144 PolarHBondContact O-N 2.86Å; D142-R144 WeakPolarHBondContact OD1-CB 3.14Å; D142-R144 WeakPolarHBondContact OD1-CG 3.29Å; D142-R144 IonicContact OD1-CZ 3.22Å; D142-R144 PolarHBondContact OD1-N 3.34Å; D142-R144 IonicContact OD1-NE 2.82Å; D142-R144 PolarHBondContact OD1-NE 3.29Å; D142-R144 IonicContact OD1-NH2 3.34Å; D142-R144 IonicContact OD2-CZ 3.96Å; D142-R144 IonicContact OD2-NE 3.12Å; D142-R144 PolarHBondContact OD2-NE 3.47Å; D142-R144 IonicContact OD2-NH2 3.13Å; D142-R144 PolarHBondContact OD2-NH2 3.21Å; D142-F145 HydrophobicContact CB-CD2 3.73Å; D142-F145 HydrophobicContact CB-CE2 4.05Å; D142-F145 WeakPolarHBondContact O-CB 3.33Å; D142-F145 PolarHBondContact O-N 2.73Å; D142-K176 WeakPolarHBondContact OD2-CD 3.4Å; D142-K176 WeakPolarHBondContact OD2-CE 3.28Å; D142-K176 IonicContact OD2-NZ 3.66Å; D142-K176 PolarHBondContact OD2-NZ 3.46Å
143A88.9Confident87.9Confident0 Ų028 Ų280%013%0.133CC..G310 helixtrans-56.6-22.3-175.500000114.2F145 L146 M174 S175 L177 L180A143-F145 VanDerWaalsContact C-N 3.31Å; A143-F145 PolarHBondContact O-N 3.38Å; A143-L146 WeakPolarHBondContact O-CB 3.37Å; A143-L146 PolarHBondContact O-N 3.47Å; A143-L146 VanDerWaalsContact O-N 3.12Å; A143-M174 HydrophobicContact CB-CE 4.49Å; A143-M174 HydrophobicContact CB-CG 3.52Å; A143-M174 HydrophobicContact CB-SD 3.56Å; A143-M174 VanDerWaalsContact CB-SD 3.56Å; A143-S175 WeakPolarHBondContact CB-O 3.43Å; A143-S175 PolarHBondContact N-O 3.11Å; A143-L177 HydrophobicContact CB-CD2 3.86Å; A143-L177 HydrophobicContact CB-CG 4.32Å; A143-L180 HydrophobicContact CB-CD1 3.5Å; A143-L180 VanDerWaalsContact CB-CD1 3.5Å; A143-L180 HydrophobicContact CB-CG 4.13Å
144R86.4Confident87.4Confident129 Ų12930.1 Ų30.149%0.48715%0.152SC..G310 helixtrans-68-30.9176.5-64.3174-65.3165.26.3112.6D142 L146 V147 L180D142-R144 PolarHBondContact O-N 2.86Å; D142-R144 WeakPolarHBondContact OD1-CB 3.14Å; D142-R144 WeakPolarHBondContact OD1-CG 3.29Å; D142-R144 IonicContact OD1-CZ 3.22Å; D142-R144 PolarHBondContact OD1-N 3.34Å; D142-R144 IonicContact OD1-NE 2.82Å; D142-R144 PolarHBondContact OD1-NE 3.29Å; D142-R144 IonicContact OD1-NH2 3.34Å; D142-R144 IonicContact OD2-CZ 3.96Å; D142-R144 IonicContact OD2-NE 3.12Å; D142-R144 PolarHBondContact OD2-NE 3.47Å; D142-R144 IonicContact OD2-NH2 3.13Å; D142-R144 PolarHBondContact OD2-NH2 3.21Å; R144-L146 PolarHBondContact O-N 2.93Å; R144-V147 PolarHBondContact O-N 2.97Å; R144-L180 HydrophobicContact CG-CD2 3.79Å
145F82Confident87Confident93 Ų9327.3 Ų27.341%0.40814%0.144SC..G310 helixtrans-71.2-11.6173.9-71.2-96.4000112.6D142 A143 H151 F152D142-F145 HydrophobicContact CB-CD2 3.73Å; D142-F145 HydrophobicContact CB-CE2 4.05Å; D142-F145 WeakPolarHBondContact O-CB 3.33Å; D142-F145 PolarHBondContact O-N 2.73Å; A143-F145 VanDerWaalsContact C-N 3.31Å; A143-F145 PolarHBondContact O-N 3.38Å; F145-H151 HydrophobicContact CB-CB 4.21Å; F145-H151 HydrophobicContact CD1-CB 4.21Å; F145-H151 AromaticContact CD1-CD2 3.72Å; F145-H151 CarbonylContact O-C 3.22Å; F145-H151 WeakPolarHBondContact O-CB 3.3Å; F145-F152 PolarHBondContact O-N 2.87Å
146L77.5Confident86.5Confident0 Ų026.8 Ų26.80%014%0.141CC..G310 helixtrans-100.82.1-175.8-65.7-164.2000112.6L141 A143 R144 F152 M174 V188 Y192 F241L141-L146 HydrophobicContact CD1-CD2 3.92Å; A143-L146 WeakPolarHBondContact O-CB 3.37Å; A143-L146 PolarHBondContact O-N 3.47Å; A143-L146 VanDerWaalsContact O-N 3.12Å; R144-L146 PolarHBondContact O-N 2.93Å; L146-F152 HydrophobicContact CD2-CD2 3.93Å; L146-M174 HydrophobicContact CB-SD 4.02Å; L146-M174 HydrophobicContact CD1-CB 3.87Å; L146-M174 HydrophobicContact CD1-CG 3.5Å; L146-M174 VanDerWaalsContact CD1-CG 3.5Å; L146-M174 HydrophobicContact CD1-SD 3.28Å; L146-M174 WeakPolarHBondContact CD1-SD 3.41Å; L146-M174 HydrophobicContact CG-CG 4.46Å; L146-M174 HydrophobicContact CG-SD 4.11Å; L146-V188 HydrophobicContact CB-CG1 4.23Å; L146-Y192 HydrophobicContact CB-CE2 4.33Å; L146-Y192 WeakPolarHBondContact CB-OH 3.22Å; L146-Y192 HydrophobicContact CD1-CE1 4.12Å; L146-Y192 HydrophobicContact CD1-CE2 4.1Å; L146-Y192 VanDerWaalsContact CD1-CZ 3.49Å; L146-Y192 WeakPolarHBondContact CD1-OH 3.39Å; L146-Y192 VanDerWaalsContact CD2-OH 3.3Å; L146-Y192 WeakPolarHBondContact CD2-OH 3.49Å; L146-Y192 WeakPolarHBondContact CG-OH 3.45Å; L146-F241 HydrophobicContact CD1-CD1 4.15Å; L146-F241 HydrophobicContact CD1-CE1 4.42Å; L146-F241 HydrophobicContact CD1-CG 4.33Å
147V77.1Confident86Confident25 Ų2529.8 Ų29.815%0.15216%0.157CC..THydrogen-bonded Turntrans-82.9-47.7176.5-178.20000110.8R144 L180 Y187 V188R144-V147 PolarHBondContact O-N 2.97Å; V147-L180 HydrophobicContact CG2-CD1 4.47Å; V147-L180 HydrophobicContact CG2-CD2 4.27Å; V147-Y187 HydrophobicContact CG1-CE1 4.49Å; V147-V188 HydrophobicContact CG2-CG2 3.94Å
148D79.2Confident85.6Confident52 Ų5231.4 Ų31.428%0.27817%0.169SC..SBendtrans-88.1139.3178.9163.368.4000111.7S150 H151 F152D148-S150 VanDerWaalsContact C-N 3.3Å; D148-S150 PolarHBondContact O-N 2.93Å; D148-S150 WeakPolarHBondContact OD2-CA 2.94Å; D148-S150 WeakPolarHBondContact OD2-CB 3.46Å; D148-S150 PolarHBondContact OD2-N 2.93Å; D148-S150 PolarHBondContact OD2-OG 2.84Å; D148-H151 PolarHBondContact O-N 2.91Å; D148-H151 IonicContact OD2-CE1 3.57Å; D148-H151 IonicContact OD2-CG 3.64Å; D148-H151 PolarHBondContact OD2-N 2.78Å; D148-H151 IonicContact OD2-ND1 3.6Å; D148-H151 PolarHBondContact OD2-ND1 2.87Å; D148-F152 VanDerWaalsContact O-CB 3.23Å; D148-F152 WeakPolarHBondContact O-CB 3.36Å; D148-F152 PolarHBondContact O-N 3.05Å
149S75.5Confident85.2Confident6 Ų631.4 Ų31.44%0.04217%0.169CC..Hα-helixtrans-60.3-35.7-178.8-66.10000113.7L153 R191 D204S149-L153 VanDerWaalsContact O-CB 3.32Å; S149-L153 WeakPolarHBondContact O-CB 3.43Å; S149-L153 PolarHBondContact O-N 2.68Å; S149-R191 PolarHBondContact OG-NH1 3.32Å; S149-R191 PolarHBondContact OG-NH2 3.38Å; S149-D204 WeakPolarHBondContact CB-OD2 3.38Å; S149-D204 PolarHBondContact N-OD2 3.43Å; S149-D204 VanDerWaalsContact OG-CG 3.27Å; S149-D204 PolarHBondContact OG-OD2 3Å
150S80Confident84.9Confident74 Ų7433.1 Ų33.152%0.51718%0.178SC..Hα-helixtrans-73.4-43.2-176.680.50000111.7D148 F152 L153 A154D148-S150 VanDerWaalsContact C-N 3.3Å; D148-S150 PolarHBondContact O-N 2.93Å; D148-S150 WeakPolarHBondContact OD2-CA 2.94Å; D148-S150 WeakPolarHBondContact OD2-CB 3.46Å; D148-S150 PolarHBondContact OD2-N 2.93Å; D148-S150 PolarHBondContact OD2-OG 2.84Å; S150-F152 VanDerWaalsContact C-N 3.34Å; S150-L153 PolarHBondContact O-N 2.97Å; S150-A154 WeakPolarHBondContact O-CB 3.34Å; S150-A154 PolarHBondContact O-N 2.71Å
151H83.3Confident84.7Confident92 Ų9235.3 Ų35.343%0.42619%0.193SC..Hα-helixtrans-67-37.9173.8-67.289.2000111.4F145 D148 A154 G155F145-H151 HydrophobicContact CB-CB 4.21Å; F145-H151 HydrophobicContact CD1-CB 4.21Å; F145-H151 AromaticContact CD1-CD2 3.72Å; F145-H151 CarbonylContact O-C 3.22Å; F145-H151 WeakPolarHBondContact O-CB 3.3Å; D148-H151 PolarHBondContact O-N 2.91Å; D148-H151 IonicContact OD2-CE1 3.57Å; D148-H151 IonicContact OD2-CG 3.64Å; D148-H151 PolarHBondContact OD2-N 2.78Å; D148-H151 IonicContact OD2-ND1 3.6Å; D148-H151 PolarHBondContact OD2-ND1 2.87Å; H151-A154 PolarHBondContact O-N 3.13Å; H151-G155 PolarHBondContact O-N 2.75Å
152F79.7Confident84.7Confident7 Ų735.3 Ų35.33%0.03119%0.193CC..Hα-helixtrans-57.6-53173.3170.3-104.3000110.9F145 L146 D148 S150 A154 G155 V156 Y192 M197F145-F152 PolarHBondContact O-N 2.87Å; L146-F152 HydrophobicContact CD2-CD2 3.93Å; D148-F152 VanDerWaalsContact O-CB 3.23Å; D148-F152 WeakPolarHBondContact O-CB 3.36Å; D148-F152 PolarHBondContact O-N 3.05Å; S150-F152 VanDerWaalsContact C-N 3.34Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 3.01Å; F152-G155 PolarHBondContact O-N 3.34Å; F152-G155 VanDerWaalsContact O-N 3.13Å; F152-V156 HydrophobicContact CD2-CG2 4.24Å; F152-V156 HydrophobicContact CE1-CG2 4.05Å; F152-V156 HydrophobicContact CE2-CG2 3.74Å; F152-V156 HydrophobicContact CZ-CG2 3.65Å; F152-V156 WeakPolarHBondContact O-CG2 3.04Å; F152-V156 PolarHBondContact O-N 2.87Å; F152-Y192 HydrophobicContact CD2-CE1 4.27Å; F152-Y192 WeakPolarHBondContact CD2-OH 3.5Å; F152-Y192 HydrophobicContact CE2-CD1 4.5Å; F152-Y192 AromaticContact CE2-CE1 3.52Å; F152-Y192 HydrophobicContact CE2-CE1 3.52Å; F152-Y192 AromaticContact CE2-CZ 3.7Å; F152-Y192 WeakPolarHBondContact CE2-OH 3.46Å; F152-Y192 HydrophobicContact CZ-CE1 4.45Å; F152-M197 HydrophobicContact CD1-CE 4.01Å; F152-M197 HydrophobicContact CD1-SD 3.89Å; F152-M197 HydrophobicContact CE1-CE 4.12Å; F152-M197 HydrophobicContact CE1-SD 3.52Å; F152-M197 VanDerWaalsContact CE1-SD 3.52Å
153L81.6Confident84.6Confident15 Ų1536.9 Ų36.98%0.07920%0.201CC..Hα-helixtrans-58.8-45.1179.4179.359000111.5S149 S150 G155 V156 L157 T226 L229 I233S149-L153 VanDerWaalsContact O-CB 3.32Å; S149-L153 WeakPolarHBondContact O-CB 3.43Å; S149-L153 PolarHBondContact O-N 2.68Å; S150-L153 PolarHBondContact O-N 2.97Å; L153-G155 VanDerWaalsContact C-N 3.33Å; L153-G155 PolarHBondContact O-N 2.89Å; L153-V156 PolarHBondContact O-N 3.12Å; L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CG 4.27Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.44Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.02Å; L153-L157 PolarHBondContact O-N 3.47Å; L153-T226 HydrophobicContact CD2-CG2 4.1Å; L153-L229 HydrophobicContact CD1-CB 3.99Å; L153-L229 HydrophobicContact CD2-CB 4.3Å; L153-L229 HydrophobicContact CD2-CD1 4.17Å; L153-I233 HydrophobicContact CD1-CD1 3.21Å
154A85.2Confident84.7Confident51 Ų5142.5 Ų42.542%0.42124%0.235SC..Hα-helixtrans-61.4-40.8176.400000112.3S150 H151 F152 L157 S158S150-A154 WeakPolarHBondContact O-CB 3.34Å; S150-A154 PolarHBondContact O-N 2.71Å; H151-A154 PolarHBondContact O-N 3.13Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 3.01Å; A154-L157 PolarHBondContact O-N 2.85Å; A154-S158 WeakPolarHBondContact O-CB 3.49Å; A154-S158 PolarHBondContact O-N 3.47Å; A154-S158 PolarHBondContact O-OG 3.27Å
155G86.3Confident85.1Confident7 Ų737.7 Ų37.77%0.07222%0.222CC..Hα-helixtrans-62-46.9175.800000112.5H151 F152 L153 S158 A159H151-G155 PolarHBondContact O-N 2.75Å; F152-G155 PolarHBondContact O-N 3.34Å; F152-G155 VanDerWaalsContact O-N 3.13Å; L153-G155 VanDerWaalsContact C-N 3.33Å; L153-G155 PolarHBondContact O-N 2.89Å; G155-S158 PolarHBondContact O-N 3.21Å; G155-A159 WeakPolarHBondContact O-CB 3.35Å; G155-A159 PolarHBondContact O-N 2.94Å
156V85.4Confident85.6Confident1 Ų133.6 Ų33.61%0.00620%0.204CC..Hα-helixtrans-62-46.6176.9173.30000111.3F152 L153 S158 A159 L160 I233 V239 F241F152-V156 HydrophobicContact CD2-CG2 4.24Å; F152-V156 HydrophobicContact CE1-CG2 4.05Å; F152-V156 HydrophobicContact CE2-CG2 3.74Å; F152-V156 HydrophobicContact CZ-CG2 3.65Å; F152-V156 WeakPolarHBondContact O-CG2 3.04Å; F152-V156 PolarHBondContact O-N 2.87Å; L153-V156 PolarHBondContact O-N 3.12Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 2.97Å; V156-A159 WeakPolarHBondContact O-CB 3.37Å; V156-A159 PolarHBondContact O-N 3.42Å; V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.42Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 WeakPolarHBondContact O-CG 3.28Å; V156-L160 PolarHBondContact O-N 3.03Å; V156-I233 HydrophobicContact CB-CD1 4.03Å; V156-I233 HydrophobicContact CG1-CB 4.49Å; V156-I233 HydrophobicContact CG1-CD1 3.52Å; V156-I233 HydrophobicContact CG1-CG1 3.68Å; V156-I233 HydrophobicContact CG1-CG2 3.98Å; V156-V239 HydrophobicContact CG1-CB 4.08Å; V156-V239 HydrophobicContact CG1-CG1 4.42Å; V156-V239 HydrophobicContact CG1-CG2 3.77Å; V156-F241 HydrophobicContact CG2-CE2 4.18Å
157L87.5Confident86.3Confident64 Ų6438.6 Ų38.634%0.33524%0.239SC..Hα-helixtrans-63.4-37.8178-69172.6000112.2L153 A154 L160 S161 L229L153-L157 HydrophobicContact CD1-CD1 4.19Å; L153-L157 HydrophobicContact CD1-CG 4.27Å; L153-L157 HydrophobicContact CG-CD1 4.11Å; L153-L157 WeakPolarHBondContact O-CB 3.44Å; L153-L157 VanDerWaalsContact O-CG 3.28Å; L153-L157 WeakPolarHBondContact O-CG 3.02Å; L153-L157 PolarHBondContact O-N 3.47Å; A154-L157 PolarHBondContact O-N 2.85Å; L157-L160 PolarHBondContact O-N 3.41Å; L157-S161 WeakPolarHBondContact O-CB 3.33Å; L157-S161 PolarHBondContact O-N 3.32Å; L157-L229 HydrophobicContact CD1-CD1 4.24Å; L157-L229 HydrophobicContact CD2-CD2 4.32Å
158S89.2Confident87.1Confident34 Ų3438.4 Ų38.424%0.23824%0.237CC..Hα-helixtrans-65.2-43.5175.8-59.40000111.4A154 G155 V156 S161 A162A154-S158 WeakPolarHBondContact O-CB 3.49Å; A154-S158 PolarHBondContact O-N 3.47Å; A154-S158 PolarHBondContact O-OG 3.27Å; G155-S158 PolarHBondContact O-N 3.21Å; V156-S158 VanDerWaalsContact C-N 3.31Å; V156-S158 PolarHBondContact O-N 2.97Å; S158-S161 PolarHBondContact O-N 3.02Å; S158-A162 PolarHBondContact O-N 3.45Å
159A89.3Confident87.8Confident0 Ų038 Ų380%024%0.241CC..Hα-helixtrans-60.7-46.7175.100000111.6F139 G155 V156 S161 A162 M163 V239F139-A159 HydrophobicContact CD1-CB 3.59Å; F139-A159 HydrophobicContact CD2-CB 4.49Å; F139-A159 HydrophobicContact CE1-CB 3.57Å; F139-A159 HydrophobicContact CG-CB 4.08Å; F139-A159 HydrophobicContact CZ-CB 4.09Å; G155-A159 WeakPolarHBondContact O-CB 3.35Å; G155-A159 PolarHBondContact O-N 2.94Å; V156-A159 WeakPolarHBondContact O-CB 3.37Å; V156-A159 PolarHBondContact O-N 3.42Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 2.94Å; A159-A162 PolarHBondContact O-N 3.5Å; A159-M163 HydrophobicContact CB-CE 3.98Å; A159-M163 WeakPolarHBondContact O-CG 3.44Å; A159-M163 PolarHBondContact O-N 3.27Å; A159-V239 HydrophobicContact CB-CG1 4.39Å
160L88.7Confident88.5Confident38 Ų3839.2 Ų39.220%0.19925%0.246CC..Hα-helixtrans-63-40.3177.2-72.2173.9000112.2V156 L157 A162 M163 V164 V238 V239V156-L160 HydrophobicContact CG1-CD1 3.99Å; V156-L160 HydrophobicContact CG1-CG 4.42Å; V156-L160 WeakPolarHBondContact O-CB 3.5Å; V156-L160 WeakPolarHBondContact O-CG 3.28Å; V156-L160 PolarHBondContact O-N 3.03Å; L157-L160 PolarHBondContact O-N 3.41Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.96Å; L160-M163 HydrophobicContact CD2-CE 3.96Å; L160-M163 HydrophobicContact CD2-SD 4.29Å; L160-M163 HydrophobicContact CG-CE 4.49Å; L160-M163 WeakPolarHBondContact O-CB 3.49Å; L160-M163 PolarHBondContact O-N 2.89Å; L160-V164 WeakPolarHBondContact O-CG2 3.48Å; L160-V164 PolarHBondContact O-N 2.91Å; L160-V238 HydrophobicContact CD2-CB 3.95Å; L160-V238 HydrophobicContact CD2-CG1 3.46Å; L160-V238 VanDerWaalsContact CD2-CG1 3.46Å; L160-V239 HydrophobicContact CD1-CG2 4.16Å; L160-V239 HydrophobicContact CD2-CG2 3.49Å; L160-V239 VanDerWaalsContact CD2-CG2 3.49Å; L160-V239 HydrophobicContact CG-CG2 3.68Å
161S90.8Very high89.2Confident47 Ų4736.5 Ų36.533%0.32923%0.226SC..Hα-helixtrans-61.2-43.5175.5-172.90000111.4S115 L157 S158 A159 S165S115-S161 WeakPolarHBondContact CB-OG 3.21Å; L157-S161 WeakPolarHBondContact O-CB 3.33Å; L157-S161 PolarHBondContact O-N 3.32Å; S158-S161 PolarHBondContact O-N 3.02Å; A159-S161 VanDerWaalsContact C-N 3.35Å; A159-S161 PolarHBondContact O-N 2.94Å; S161-S165 VanDerWaalsContact O-CB 3.3Å; S161-S165 WeakPolarHBondContact O-CB 3.31Å; S161-S165 PolarHBondContact O-N 3.24Å; S161-S165 VanDerWaalsContact O-N 3.12Å
162A92.1Very high89.6Confident4 Ų432.5 Ų32.53%0.03321%0.207CC..Hα-helixtrans-65.9-42.6176.400000111.6I9 F139 S158 A159 L160 V164 S165 L166I9-A162 HydrophobicContact CD1-CB 3.84Å; F139-A162 HydrophobicContact CD2-CB 4.25Å; F139-A162 HydrophobicContact CE2-CB 4.3Å; S158-A162 PolarHBondContact O-N 3.45Å; A159-A162 PolarHBondContact O-N 3.5Å; L160-A162 VanDerWaalsContact C-N 3.33Å; L160-A162 PolarHBondContact O-N 2.96Å; A162-V164 PolarHBondContact O-N 2.91Å; A162-S165 PolarHBondContact O-N 3.06Å; A162-L166 WeakPolarHBondContact O-CB 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 3.35Å
163M91.2Very high90.3Very high36 Ų3632.1 Ų32.118%0.17721%0.206CC..Hα-helixtrans-54-49.8175.8-84.4-177.9-111.200112.5A159 L160 S167 H170 V239A159-M163 HydrophobicContact CB-CE 3.98Å; A159-M163 WeakPolarHBondContact O-CG 3.44Å; A159-M163 PolarHBondContact O-N 3.27Å; L160-M163 HydrophobicContact CD2-CE 3.96Å; L160-M163 HydrophobicContact CD2-SD 4.29Å; L160-M163 HydrophobicContact CG-CE 4.49Å; L160-M163 WeakPolarHBondContact O-CB 3.49Å; L160-M163 PolarHBondContact O-N 2.89Å; M163-S167 PolarHBondContact O-N 3.23Å; M163-S167 VanDerWaalsContact O-N 3.07Å; M163-H170 WeakPolarHBondContact CA-NE2 3.28Å; M163-H170 HydrophobicContact CG-CB 3.55Å; M163-H170 VanDerWaalsContact CG-ND1 3.34Å; M163-H170 WeakPolarHBondContact CG-ND1 3.36Å; M163-H170 HydrophobicContact SD-CB 3.97Å; M163-V239 HydrophobicContact CE-CG1 4.36Å; M163-V239 HydrophobicContact CE-CG2 3.98Å
164V91.1Very high90.8Very high118 Ų11831.5 Ų31.572%0.71520%0.203SC*.Hα-helixtrans-66.7-41.2-179.1173.30000111.1L160 A162 S167L160-V164 WeakPolarHBondContact O-CG2 3.48Å; L160-V164 PolarHBondContact O-N 2.91Å; A162-V164 PolarHBondContact O-N 2.91Å; V164-S167 PolarHBondContact O-OG 3.15Å
165S93.4Very high91.2Very high28 Ų2829.4 Ų29.420%0.19619%0.185CC..Hα-helixtrans-69.6-46-177.4177.40000112.9Y114 S115 P121 S161 A162Y114-S165 WeakPolarHBondContact O-CB 3.35Å; Y114-S165 PolarHBondContact O-OG 3.42Å; S115-S165 WeakPolarHBondContact O-CB 3.49Å; P121-S165 WeakPolarHBondContact CG-O 3.4Å; S161-S165 VanDerWaalsContact O-CB 3.3Å; S161-S165 WeakPolarHBondContact O-CB 3.31Å; S161-S165 PolarHBondContact O-N 3.24Å; S161-S165 VanDerWaalsContact O-N 3.12Å; A162-S165 PolarHBondContact O-N 3.06Å
166L94Very high91.5Very high7 Ų731.4 Ų31.44%0.03719%0.192CC..Hα-helixtrans-81.8-26.6-175.2-61.1178.2000112.9L7 I9 M120 P121 I124 T137 A162 T168L7-L166 HydrophobicContact CD2-CD1 3.98Å; I9-L166 HydrophobicContact CD1-CD1 3.66Å; M120-L166 HydrophobicContact CB-CD2 3.72Å; P121-L166 HydrophobicContact CG-CD2 4.19Å; I124-L166 HydrophobicContact CD1-CB 4.37Å; I124-L166 HydrophobicContact CD1-CD2 3.94Å; T137-L166 HydrophobicContact CG2-CD1 3.97Å; A162-L166 WeakPolarHBondContact O-CB 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.49Å; A162-L166 PolarHBondContact O-N 3.35Å; L166-T168 PolarHBondContact O-N 3.45Å; L166-T168 VanDerWaalsContact O-N 3.17Å
167S91.8Very high91.7Very high104 Ų10431.5 Ų31.573%0.72719%0.192SC*.  trans55.430178.8-61.50000114.2M163 V164M163-S167 PolarHBondContact O-N 3.23Å; M163-S167 VanDerWaalsContact O-N 3.07Å; V164-S167 PolarHBondContact O-OG 3.15Å
168T93.2Very high91.7Very high21 Ų2130.3 Ų30.313%0.12919%0.186CC..SBendtrans-103.4168.617365.20000110.6I124 F135 T137 L166 H170I124-T168 HydrophobicContact CD1-CG2 4.12Å; I124-T168 HydrophobicContact CG2-CG2 3.96Å; F135-T168 HydrophobicContact CB-CG2 3.9Å; T137-T168 WeakPolarHBondContact CB-OG1 3.44Å; T137-T168 PolarHBondContact OG1-OG1 2.99Å; L166-T168 PolarHBondContact O-N 3.45Å; L166-T168 VanDerWaalsContact O-N 3.17Å; T168-H170 PolarHBondContact O-CD2 3.24Å
169A93.6Very high91.7Very high43 Ų4333.2 Ų33.236%0.35520%0.198SC..EExtended strand (participates in β ladder)trans-58.4150.7161.900000109.8V136 T137 C262V136-A169 HydrophobicContact CG2-CB 4.3Å; T137-A169 PolarHBondContact N-O 3.02Å; A169-C262 WeakPolarHBondContact CB-SG 3.41Å
170H92.1Very high91.6Very high32 Ų3234 Ų3415%0.14820%0.202CC..EExtended strand (participates in β ladder)trans-139.6133.7-172-105.4-107000111T137 M163 T168T137-H170 WeakPolarHBondContact CB-NE2 3.29Å; T137-H170 WeakPolarHBondContact CG2-CE1 3.43Å; T137-H170 WeakPolarHBondContact CG2-NE2 3.42Å; T137-H170 CarbonylContact O-C 3.54Å; T137-H170 WeakPolarHBondContact O-CA 3.46Å; M163-H170 WeakPolarHBondContact CA-NE2 3.28Å; M163-H170 HydrophobicContact CG-CB 3.55Å; M163-H170 VanDerWaalsContact CG-ND1 3.34Å; M163-H170 WeakPolarHBondContact CG-ND1 3.36Å; M163-H170 HydrophobicContact SD-CB 3.97Å; T168-H170 PolarHBondContact O-CD2 3.24Å
171I93.9Very high91.4Very high18 Ų1834.9 Ų34.99%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-124.6122.7170.1-64.7174.7000107V136 T137 I138 F139 V173 V242 L255 Q258 I259 C262V136-I171 HydrophobicContact CG2-CD1 3.9Å; V136-I171 HydrophobicContact CG2-CG1 3.91Å; T137-I171 PolarHBondContact O-N 3.44Å; I138-I171 WeakPolarHBondContact CA-O 3.38Å; I138-I171 HydrophobicContact CD1-CB 4.08Å; F139-I171 PolarHBondContact N-O 3.2Å; I171-V173 HydrophobicContact CG2-CG2 4.06Å; I171-V242 HydrophobicContact CG2-CG2 3.99Å; I171-L255 HydrophobicContact CG2-CD1 3.92Å; I171-Q258 HydrophobicContact CD1-CB 4.5Å; I171-I259 HydrophobicContact CD1-CB 4.28Å; I171-I259 HydrophobicContact CD1-CG1 3.61Å; I171-C262 HydrophobicContact CD1-CB 4.16Å
172N92.4Very high90.9Very high7 Ų739.6 Ų39.64%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-90.3131.7175.5-41.2-76000108.5F139 V239 H240 F241 V242F139-N172 CarbonylContact O-C 3.48Å; F139-N172 WeakPolarHBondContact O-CA 3.04Å; N172-V239 HydrophobicContact CB-CG1 4.39Å; N172-V239 VanDerWaalsContact ND2-CG1 3.31Å; N172-V239 WeakPolarHBondContact ND2-CG1 3.36Å; N172-H240 WeakPolarHBondContact CB-O 3.1Å; N172-H240 PolarHBondContact ND2-O 3.12Å; N172-F241 HydrophobicContact CB-CD1 3.49Å; N172-F241 VanDerWaalsContact CB-CD1 3.49Å; N172-F241 HydrophobicContact CB-CD2 4.23Å; N172-F241 HydrophobicContact CB-CE1 3.46Å; N172-F241 VanDerWaalsContact CB-CE1 3.46Å; N172-F241 HydrophobicContact CB-CE2 4.25Å; N172-F241 HydrophobicContact CB-CG 3.89Å; N172-F241 HydrophobicContact CB-CZ 3.87Å; N172-F241 CarbonylContact O-C 3.59Å; N172-F241 WeakPolarHBondContact O-CA 3.16Å; N172-V242 PolarHBondContact O-N 3.39Å
173V93.9Very high90.4Very high0 Ų046.2 Ų46.20%026%0.259CS..EExtended strand (participates in β ladder)trans-121.9133.1-175.6177.60000108.5I138 F139 I140 L141 I171 V242 L244 L255I138-V173 HydrophobicContact CG2-CB 4.26Å; I138-V173 HydrophobicContact CG2-CG2 3.59Å; F139-V173 PolarHBondContact O-N 2.97Å; I140-V173 WeakPolarHBondContact CA-O 3.38Å; I140-V173 HydrophobicContact CG1-CB 4.31Å; L141-V173 PolarHBondContact N-O 2.62Å; I171-V173 HydrophobicContact CG2-CG2 4.06Å; V173-V242 WeakPolarHBondContact CA-O 3.43Å; V173-L244 HydrophobicContact CG1-CB 3.51Å; V173-L244 HydrophobicContact CG1-CD2 3.86Å; V173-L244 HydrophobicContact CG1-CG 4.31Å; V173-L255 HydrophobicContact CG1-CD2 3.99Å; V173-L255 HydrophobicContact CG2-CD1 3.7Å; V173-L255 HydrophobicContact CG2-CD2 3.83Å; V173-L255 HydrophobicContact CG2-CG 4.45Å
174M91.8Very high89.9Confident2 Ų246.9 Ų46.91%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-102.5109.3173.4-178.8-179.358.400109.5L141 A143 L146 L177 V188 Y192 F241 V242 P243 L244L141-M174 CarbonylContact O-C 3.56Å; L141-M174 WeakPolarHBondContact O-CA 3.12Å; A143-M174 HydrophobicContact CB-CE 4.49Å; A143-M174 HydrophobicContact CB-CG 3.52Å; A143-M174 HydrophobicContact CB-SD 3.56Å; A143-M174 VanDerWaalsContact CB-SD 3.56Å; L146-M174 HydrophobicContact CB-SD 4.02Å; L146-M174 HydrophobicContact CD1-CB 3.87Å; L146-M174 HydrophobicContact CD1-CG 3.5Å; L146-M174 VanDerWaalsContact CD1-CG 3.5Å; L146-M174 HydrophobicContact CD1-SD 3.28Å; L146-M174 WeakPolarHBondContact CD1-SD 3.41Å; L146-M174 HydrophobicContact CG-CG 4.46Å; L146-M174 HydrophobicContact CG-SD 4.11Å; M174-L177 HydrophobicContact CE-CD1 3.92Å; M174-L177 HydrophobicContact CE-CD2 3.37Å; M174-L177 HydrophobicContact CE-CG 3.92Å; M174-L177 HydrophobicContact SD-CD2 4.2Å; M174-V188 HydrophobicContact CE-CG1 3.36Å; M174-V188 HydrophobicContact SD-CG1 3.1Å; M174-V188 WeakPolarHBondContact SD-CG1 3.31Å; M174-Y192 HydrophobicContact SD-CE2 4.24Å; M174-F241 HydrophobicContact CB-CB 4.32Å; M174-F241 HydrophobicContact CB-CD1 4.36Å; M174-V242 PolarHBondContact N-O 3.27Å; M174-P243 HydrophobicContact CE-CB 4.43Å; M174-L244 PolarHBondContact O-N 3.12Å
175S94.2Very high89.3Confident7 Ų742.6 Ų42.65%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-90.6171.4-178.763.60000112.9C14 I140 L141 A143 L177C14-S175 PolarHBondContact O-OG 2.6Å; I140-S175 WeakPolarHBondContact CG2-OG 3.25Å; L141-S175 PolarHBondContact O-N 2.63Å; L141-S175 PolarHBondContact O-OG 2.83Å; A143-S175 WeakPolarHBondContact CB-O 3.43Å; A143-S175 PolarHBondContact N-O 3.11Å; S175-L177 VanDerWaalsContact C-N 3.26Å; S175-L177 PolarHBondContact O-N 2.93Å
176K92.3Very high88.6Confident49 Ų4947.9 Ų47.921%0.21325%0.253CS..  trans59.931173.6-52-164.6-159.7161.30114.9G13 D142 D178 L179G13-K176 WeakPolarHBondContact O-CE 3.44Å; G13-K176 PolarHBondContact O-NZ 3.43Å; D142-K176 WeakPolarHBondContact OD2-CD 3.4Å; D142-K176 WeakPolarHBondContact OD2-CE 3.28Å; D142-K176 IonicContact OD2-NZ 3.66Å; D142-K176 PolarHBondContact OD2-NZ 3.46Å; K176-D178 VanDerWaalsContact CA-OD1 3.25Å; K176-D178 WeakPolarHBondContact CA-OD1 3.49Å; K176-D178 PolarHBondContact O-N 2.9Å; K176-L179 HydrophobicContact CB-CD1 4.04Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 3.76Å; K176-L179 HydrophobicContact CG-CD1 4.43Å; K176-L179 WeakPolarHBondContact O-CB 3.47Å; K176-L179 PolarHBondContact O-N 3.33Å
177L89.1Confident87.5Confident2 Ų248.5 Ų48.51%0.0125%0.254CS..G310 helixtrans-60.6-27.5173.4-78.2169.8000112.4A143 M174 S175 L179 L180 Q185 M189 P243 N245A143-L177 HydrophobicContact CB-CD2 3.86Å; A143-L177 HydrophobicContact CB-CG 4.32Å; M174-L177 HydrophobicContact CE-CD1 3.92Å; M174-L177 HydrophobicContact CE-CD2 3.37Å; M174-L177 HydrophobicContact CE-CG 3.92Å; M174-L177 HydrophobicContact SD-CD2 4.2Å; S175-L177 VanDerWaalsContact C-N 3.26Å; S175-L177 PolarHBondContact O-N 2.93Å; L177-L179 PolarHBondContact O-N 3.01Å; L177-L180 HydrophobicContact CD2-CD1 4.19Å; L177-L180 PolarHBondContact O-N 3.03Å; L177-L180 VanDerWaalsContact O-N 3.1Å; L177-Q185 HydrophobicContact CD2-CG 4.27Å; L177-Q185 PolarHBondContact O-NE2 3.34Å; L177-M189 HydrophobicContact CD1-CE 4.33Å; L177-P243 HydrophobicContact CD1-CB 3.37Å; L177-N245 HydrophobicContact CB-CB 4.12Å
178D87.8Confident86.7Confident39 Ų3943.5 Ų43.521%0.20922%0.22CC..G310 helixtrans-57.8-23.2172.654.8-57.7000113.5K176 R246 D247K176-D178 VanDerWaalsContact CA-OD1 3.25Å; K176-D178 WeakPolarHBondContact CA-OD1 3.49Å; K176-D178 PolarHBondContact O-N 2.9Å; D178-R246 IonicContact OD2-CZ 3.38Å; D178-R246 IonicContact OD2-NE 3.87Å; D178-R246 PolarHBondContact OD2-NE 2.97Å; D178-R246 VanDerWaalsContact OD2-NE 3.12Å; D178-R246 IonicContact OD2-NH2 2.71Å; D178-R246 PolarHBondContact OD2-NH2 3.48Å; D178-D247 WeakPolarHBondContact CB-OD2 3.2Å
179L89.3Confident85.8Confident95 Ų9545.7 Ų45.750%0.49723%0.229SC..G310 helixtrans-88.7-8.3178.7-56.1-172.6000113.9K176 L177K176-L179 HydrophobicContact CB-CD1 4.04Å; K176-L179 HydrophobicContact CB-CG 4.17Å; K176-L179 HydrophobicContact CD-CD1 3.76Å; K176-L179 HydrophobicContact CG-CD1 4.43Å; K176-L179 WeakPolarHBondContact O-CB 3.47Å; K176-L179 PolarHBondContact O-N 3.33Å; L177-L179 PolarHBondContact O-N 3.01Å
180L86.4Confident84.6Confident17 Ų1746.1 Ų46.19%0.08923%0.233CC..SBendtrans-95.3146.4178-66.5-174.4000111.3A143 R144 V147 L177 K184 Q185 V188A143-L180 HydrophobicContact CB-CD1 3.5Å; A143-L180 VanDerWaalsContact CB-CD1 3.5Å; A143-L180 HydrophobicContact CB-CG 4.13Å; R144-L180 HydrophobicContact CG-CD2 3.79Å; V147-L180 HydrophobicContact CG2-CD1 4.47Å; V147-L180 HydrophobicContact CG2-CD2 4.27Å; L177-L180 HydrophobicContact CD2-CD1 4.19Å; L177-L180 PolarHBondContact O-N 3.03Å; L177-L180 VanDerWaalsContact O-N 3.1Å; L180-K184 HydrophobicContact CB-CB 4.25Å; L180-K184 HydrophobicContact CD2-CB 4.47Å; L180-Q185 HydrophobicContact CB-CG 3.78Å; L180-Q185 PolarHBondContact O-NE2 3.49Å; L180-V188 HydrophobicContact CD1-CG2 4.11Å
181S84.9Confident83.3Confident57 Ų5744.7 Ų44.740%0.39923%0.226SC..  trans-61.9154.4169.370.20000110.9Q183 K184 Q185S181-Q183 PolarHBondContact O-N 3.48Å; S181-Q183 VanDerWaalsContact O-N 3.15Å; S181-K184 PolarHBondContact O-N 3.45Å; S181-K184 PolarHBondContact OG-N 2.95Å; S181-Q185 WeakPolarHBondContact O-CG 3.44Å; S181-Q185 PolarHBondContact O-N 3.42Å
182E81.7Confident81.8Confident145 Ų14544.6 Ų44.668%0.67823%0.225SC*.Hα-helixtrans-56.4-33.8178.9-69.4-169.1173.100113.2K186E182-K186 VanDerWaalsContact O-CG 3.32Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.9Å
183Q80.5Confident80.2Confident143 Ų14350.7 Ų50.767%0.66826%0.256SS*.Hα-helixtrans-66.6-48.8175.1-73.9171.3-34.500111.3S181 Q185 K186 Y187S181-Q183 PolarHBondContact O-N 3.48Å; S181-Q183 VanDerWaalsContact O-N 3.15Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.26Å; Q183-K186 PolarHBondContact O-N 3.5Å; Q183-Y187 WeakPolarHBondContact O-CB 3.22Å; Q183-Y187 PolarHBondContact O-N 2.94Å
184K79.8Confident78.5Confident50 Ų5056.6 Ų56.622%0.21729%0.288CS..Hα-helixtrans-63.7-37.3176.7-72.4-175.6176.1-1760110.9L180 S181 Y187 V188 D211L180-K184 HydrophobicContact CB-CB 4.25Å; L180-K184 HydrophobicContact CD2-CB 4.47Å; S181-K184 PolarHBondContact O-N 3.45Å; S181-K184 PolarHBondContact OG-N 2.95Å; K184-Y187 WeakPolarHBondContact O-CB 3.14Å; K184-Y187 PolarHBondContact O-N 3.49Å; K184-V188 VanDerWaalsContact O-CB 3.29Å; K184-V188 WeakPolarHBondContact O-CB 3.42Å; K184-V188 WeakPolarHBondContact O-CG2 3.39Å; K184-V188 PolarHBondContact O-N 3.06Å; K184-D211 IonicContact NZ-OD1 2.81Å; K184-D211 IonicContact NZ-OD2 3.39Å; K184-D211 PolarHBondContact NZ-OD2 2.81Å
185Q79.9Confident76.6Confident28 Ų2858.7 Ų58.713%0.13130%0.302CS..Hα-helixtrans-59.4-48.8172.6-70.2-179.730.100112L177 L180 S181 Q183 Y187 M189L177-Q185 HydrophobicContact CD2-CG 4.27Å; L177-Q185 PolarHBondContact O-NE2 3.34Å; L180-Q185 HydrophobicContact CB-CG 3.78Å; L180-Q185 PolarHBondContact O-NE2 3.49Å; S181-Q185 WeakPolarHBondContact O-CG 3.44Å; S181-Q185 PolarHBondContact O-N 3.42Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.26Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.41Å; Q185-M189 VanDerWaalsContact O-CB 3.32Å; Q185-M189 WeakPolarHBondContact O-CB 3.44Å; Q185-M189 WeakPolarHBondContact O-CG 3.49Å; Q185-M189 PolarHBondContact O-N 3.38Å
186K77.6Confident74.9Confident140 Ų14062.3 Ų62.361%0.60932%0.321SS*.Hα-helixtrans-62.8-40.6177.2-72.8173.6-171.5173.30112E182 Q183 A190E182-K186 VanDerWaalsContact O-CG 3.32Å; E182-K186 WeakPolarHBondContact O-CG 3.47Å; E182-K186 PolarHBondContact O-N 2.9Å; Q183-K186 PolarHBondContact O-N 3.5Å; K186-A190 VanDerWaalsContact O-CB 3.28Å; K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.36Å
187Y72.1Confident73.2Confident19 Ų1960.1 Ų60.18%0.07531%0.311CS..Hα-helixtrans-59.7-55.3177.3172.6-112.5000111.3V147 Q183 K184 Q185 M189 A190 R191 F200 L203 D204 F207V147-Y187 HydrophobicContact CG1-CE1 4.49Å; Q183-Y187 WeakPolarHBondContact O-CB 3.22Å; Q183-Y187 PolarHBondContact O-N 2.94Å; K184-Y187 WeakPolarHBondContact O-CB 3.14Å; K184-Y187 PolarHBondContact O-N 3.49Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.41Å; Y187-M189 PolarHBondContact O-N 3.34Å; Y187-A190 PolarHBondContact O-N 3.42Å; Y187-A190 VanDerWaalsContact O-N 3.17Å; Y187-R191 PolarHBondContact O-N 3.23Å; Y187-R191 PolarHBondContact OH-NH1 3.13Å; Y187-F200 AromaticContact CE2-CD1 3.96Å; Y187-F200 HydrophobicContact CE2-CD1 3.96Å; Y187-F200 HydrophobicContact CE2-CE1 4.04Å; Y187-L203 HydrophobicContact CE2-CD1 4.11Å; Y187-D204 PolarHBondContact OH-OD1 3.49Å; Y187-D204 VanDerWaalsContact OH-OD1 3.05Å; Y187-F207 HydrophobicContact CD1-CE2 4.17Å; Y187-F207 HydrophobicContact CD1-CZ 4.09Å; Y187-F207 AromaticContact CD2-CE2 3.48Å; Y187-F207 HydrophobicContact CD2-CE2 3.48Å; Y187-F207 VanDerWaalsContact CD2-CE2 3.48Å; Y187-F207 AromaticContact CD2-CZ 3.45Å; Y187-F207 HydrophobicContact CD2-CZ 3.45Å; Y187-F207 VanDerWaalsContact CD2-CZ 3.45Å; Y187-F207 HydrophobicContact CE1-CD2 4.33Å; Y187-F207 AromaticContact CE1-CE2 3.95Å; Y187-F207 HydrophobicContact CE1-CE2 3.95Å; Y187-F207 HydrophobicContact CE1-CZ 4.35Å; Y187-F207 HydrophobicContact CE2-CD2 4.2Å; Y187-F207 AromaticContact CE2-CE2 3.27Å; Y187-F207 HydrophobicContact CE2-CE2 3.27Å; Y187-F207 AromaticContact CE2-CZ 3.8Å; Y187-F207 HydrophobicContact CE2-CZ 3.8Å; Y187-F207 HydrophobicContact CG-CE1 4.43Å; Y187-F207 AromaticContact CG-CE2 3.92Å; Y187-F207 HydrophobicContact CG-CE2 3.92Å; Y187-F207 AromaticContact CG-CZ 3.6Å; Y187-F207 HydrophobicContact CG-CZ 3.6Å; Y187-F207 AromaticContact CZ-CD2 3.98Å; Y187-F207 AromaticContact CZ-CE2 3.48Å; Y187-F207 VanDerWaalsContact CZ-CE2 3.48Å
188V74.4Confident71.7Confident0 Ų064.2 Ų64.20%033%0.333CS..Hα-helixtrans-57-52.5178.2171.30000109L146 V147 M174 L180 K184 A190 R191 Y192L146-V188 HydrophobicContact CB-CG1 4.23Å; V147-V188 HydrophobicContact CG2-CG2 3.94Å; M174-V188 HydrophobicContact CE-CG1 3.36Å; M174-V188 HydrophobicContact SD-CG1 3.1Å; M174-V188 WeakPolarHBondContact SD-CG1 3.31Å; L180-V188 HydrophobicContact CD1-CG2 4.11Å; K184-V188 VanDerWaalsContact O-CB 3.29Å; K184-V188 WeakPolarHBondContact O-CB 3.42Å; K184-V188 WeakPolarHBondContact O-CG2 3.39Å; K184-V188 PolarHBondContact O-N 3.06Å; V188-A190 VanDerWaalsContact C-N 3.34Å; V188-A190 PolarHBondContact O-N 2.83Å; V188-R191 WeakPolarHBondContact O-CB 3.26Å; V188-R191 PolarHBondContact O-N 3.11Å; V188-Y192 HydrophobicContact CB-CE2 4.45Å; V188-Y192 HydrophobicContact CG1-CD2 4.07Å; V188-Y192 HydrophobicContact CG1-CE2 3.49Å; V188-Y192 VanDerWaalsContact CG1-CE2 3.49Å; V188-Y192 WeakPolarHBondContact O-CD2 3.42Å; V188-Y192 VanDerWaalsContact O-CE2 3.24Å; V188-Y192 WeakPolarHBondContact O-CE2 3.38Å; V188-Y192 PolarHBondContact O-N 3.43Å
189M73.7Confident70.2Confident67 Ų6768.9 Ų68.933%0.3335%0.349SS..Hα-helixtrans-55.8-41.1176.5-74.1176.8162.100114.1L177 Q185 Y187 R191 Y192 L193 P243L177-M189 HydrophobicContact CD1-CE 4.33Å; Q185-M189 VanDerWaalsContact O-CB 3.32Å; Q185-M189 WeakPolarHBondContact O-CB 3.44Å; Q185-M189 WeakPolarHBondContact O-CG 3.49Å; Q185-M189 PolarHBondContact O-N 3.38Å; Y187-M189 PolarHBondContact O-N 3.34Å; M189-R191 VanDerWaalsContact C-N 3.32Å; M189-R191 PolarHBondContact O-N 3.22Å; M189-Y192 PolarHBondContact O-N 3.08Å; M189-L193 WeakPolarHBondContact O-CG 3.24Å; M189-L193 PolarHBondContact O-N 2.82Å; M189-L193 VanDerWaalsContact O-N 3.17Å; M189-P243 HydrophobicContact CE-CB 3.74Å; M189-P243 HydrophobicContact CE-CG 4.06Å
190A69.2Low68.6Low52 Ų5264.7 Ų64.743%0.4333%0.327SS..Hα-helixtrans-63.7-38.8177.100000111.9K186 Y187 V188 Y192 L193 N194K186-A190 VanDerWaalsContact O-CB 3.28Å; K186-A190 WeakPolarHBondContact O-CB 3.44Å; K186-A190 PolarHBondContact O-N 3.36Å; Y187-A190 PolarHBondContact O-N 3.42Å; Y187-A190 VanDerWaalsContact O-N 3.17Å; V188-A190 VanDerWaalsContact C-N 3.34Å; V188-A190 PolarHBondContact O-N 2.83Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 3.33Å; A190-L193 PolarHBondContact O-N 2.92Å; A190-N194 PolarHBondContact O-N 2.88Å
191R65.2Low67.4Low1 Ų166.1 Ų66.10%0.00433%0.332CS..Hα-helixtrans-61.5-29.2176.3-165.4166.7-173.8144.25113.7S149 Y187 V188 M189 N194 P195 F200 D204S149-R191 PolarHBondContact OG-NH1 3.32Å; S149-R191 PolarHBondContact OG-NH2 3.38Å; Y187-R191 PolarHBondContact O-N 3.23Å; Y187-R191 PolarHBondContact OH-NH1 3.13Å; V188-R191 WeakPolarHBondContact O-CB 3.26Å; V188-R191 PolarHBondContact O-N 3.11Å; M189-R191 VanDerWaalsContact C-N 3.32Å; M189-R191 PolarHBondContact O-N 3.22Å; R191-N194 CarbonylContact O-C 3.59Å; R191-P195 WeakPolarHBondContact O-CA 3.38Å; R191-F200 HydrophobicContact CB-CD1 4.27Å; R191-F200 HydrophobicContact CB-CE1 3.67Å; R191-F200 HydrophobicContact CB-CE2 4.17Å; R191-F200 HydrophobicContact CB-CZ 3.69Å; R191-F200 HydrophobicContact CG-CD1 3.82Å; R191-F200 HydrophobicContact CG-CD2 3.79Å; R191-F200 HydrophobicContact CG-CE1 3.68Å; R191-F200 HydrophobicContact CG-CE2 3.71Å; R191-F200 HydrophobicContact CG-CG 3.94Å; R191-F200 HydrophobicContact CG-CZ 3.69Å; R191-D204 IonicContact NH1-OD1 3.93Å; R191-D204 PolarHBondContact NH1-OD1 2.96Å
192Y62.5Low66.1Low17 Ų1768.7 Ų68.77%0.06734%0.342CS..Hα-helixtrans-90.3-27.4178.2-65.8-76000114.9L146 F152 M174 V188 M189 A190 H240 F241L146-Y192 HydrophobicContact CB-CE2 4.33Å; L146-Y192 WeakPolarHBondContact CB-OH 3.22Å; L146-Y192 HydrophobicContact CD1-CE1 4.12Å; L146-Y192 HydrophobicContact CD1-CE2 4.1Å; L146-Y192 VanDerWaalsContact CD1-CZ 3.49Å; L146-Y192 WeakPolarHBondContact CD1-OH 3.39Å; L146-Y192 VanDerWaalsContact CD2-OH 3.3Å; L146-Y192 WeakPolarHBondContact CD2-OH 3.49Å; L146-Y192 WeakPolarHBondContact CG-OH 3.45Å; F152-Y192 HydrophobicContact CD2-CE1 4.27Å; F152-Y192 WeakPolarHBondContact CD2-OH 3.5Å; F152-Y192 HydrophobicContact CE2-CD1 4.5Å; F152-Y192 AromaticContact CE2-CE1 3.52Å; F152-Y192 HydrophobicContact CE2-CE1 3.52Å; F152-Y192 AromaticContact CE2-CZ 3.7Å; F152-Y192 WeakPolarHBondContact CE2-OH 3.46Å; F152-Y192 HydrophobicContact CZ-CE1 4.45Å; M174-Y192 HydrophobicContact SD-CE2 4.24Å; V188-Y192 HydrophobicContact CB-CE2 4.45Å; V188-Y192 HydrophobicContact CG1-CD2 4.07Å; V188-Y192 HydrophobicContact CG1-CE2 3.49Å; V188-Y192 VanDerWaalsContact CG1-CE2 3.49Å; V188-Y192 WeakPolarHBondContact O-CD2 3.42Å; V188-Y192 VanDerWaalsContact O-CE2 3.24Å; V188-Y192 WeakPolarHBondContact O-CE2 3.38Å; V188-Y192 PolarHBondContact O-N 3.43Å; M189-Y192 PolarHBondContact O-N 3.08Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 3.33Å; Y192-H240 PolarHBondContact O-CE1 3.03Å; Y192-H240 PolarHBondContact O-ND1 2.72Å; Y192-F241 HydrophobicContact CD1-CB 3.71Å; Y192-F241 AromaticContact CD1-CD2 3.71Å; Y192-F241 HydrophobicContact CD1-CD2 3.71Å; Y192-F241 HydrophobicContact CD1-CG 4.1Å; Y192-F241 HydrophobicContact CE1-CB 3.8Å; Y192-F241 AromaticContact CE1-CD2 3.3Å; Y192-F241 HydrophobicContact CE1-CD2 3.3Å; Y192-F241 HydrophobicContact CE1-CE2 4.06Å; Y192-F241 AromaticContact CE1-CG 3.75Å; Y192-F241 HydrophobicContact CE1-CG 3.75Å; Y192-F241 HydrophobicContact CG-CB 4.29Å
193L58.5Low64.7Low134 Ų13463.7 Ų63.770%0.70232%0.319SS*.Hα-helixtrans-73.6-30.9175.7-73.7166.5000111.6M189 A190M189-L193 WeakPolarHBondContact O-CG 3.24Å; M189-L193 PolarHBondContact O-N 2.82Å; M189-L193 VanDerWaalsContact O-N 3.17Å; A190-L193 PolarHBondContact O-N 2.92Å
194N56.8Low63.6Low125 Ų12557.8 Ų57.867%0.66829%0.292SS*.SBendtrans-142.796.7172.9-96.5-33.6000109.3A190 R191 D196 F200A190-N194 PolarHBondContact O-N 2.88Å; R191-N194 CarbonylContact O-C 3.59Å; N194-D196 VanDerWaalsContact C-N 3.3Å; N194-D196 PolarHBondContact O-N 2.82Å; N194-F200 WeakPolarHBondContact O-CE2 3.38Å
195P52.7Low62.4Low46 Ų4661.4 Ų61.430%0.29931%0.31SS..  trans-74.685.2171.530.8-32.3000109.2R191 E234R191-P195 WeakPolarHBondContact O-CA 3.38Å; P195-E234 WeakPolarHBondContact O-CG 3.35Å
196D58.3Low61.1Low83 Ų8363.7 Ų63.744%0.44433%0.325SS..  trans-102.283.1164-175.3-20.8000108N194 D198 Y199 F200N194-D196 VanDerWaalsContact C-N 3.3Å; N194-D196 PolarHBondContact O-N 2.82Å; D196-D198 PolarHBondContact O-N 3.24Å; D196-D198 PolarHBondContact OD1-N 2.91Å; D196-Y199 WeakPolarHBondContact O-CB 3.33Å; D196-Y199 PolarHBondContact O-N 3.4Å; D196-Y199 VanDerWaalsContact O-N 3.09Å; D196-Y199 PolarHBondContact OD1-N 3.19Å; D196-Y199 VanDerWaalsContact OD1-N 3.12Å; D196-F200 VanDerWaalsContact C-CD2 3.42Å; D196-F200 WeakPolarHBondContact O-CD2 3.44Å; D196-F200 WeakPolarHBondContact O-CE2 3.48Å; D196-F200 PolarHBondContact O-N 2.85Å; D196-F200 VanDerWaalsContact O-N 3.14Å
197M57.1Low59.9Low2 Ų259.1 Ų59.11%0.0131%0.306CS..Hα-helixtrans-59.5-32.2-176-67.7-71.8-6800112.6F152 Y199 F200 F201 A230 E234F152-M197 HydrophobicContact CD1-CE 4.01Å; F152-M197 HydrophobicContact CD1-SD 3.89Å; F152-M197 HydrophobicContact CE1-CE 4.12Å; F152-M197 HydrophobicContact CE1-SD 3.52Å; F152-M197 VanDerWaalsContact CE1-SD 3.52Å; M197-Y199 VanDerWaalsContact C-N 3.34Å; M197-F200 PolarHBondContact O-N 2.93Å; M197-F201 HydrophobicContact CB-CD2 4.38Å; M197-F201 HydrophobicContact CB-CE2 4.03Å; M197-F201 HydrophobicContact CE-CE2 3.84Å; M197-F201 HydrophobicContact CE-CZ 3.7Å; M197-F201 WeakPolarHBondContact O-CD2 3.27Å; M197-F201 PolarHBondContact O-N 2.87Å; M197-A230 HydrophobicContact CB-CB 3.85Å; M197-A230 HydrophobicContact CE-CB 4.15Å; M197-A230 HydrophobicContact CG-CB 3.95Å; M197-E234 WeakPolarHBondContact CA-OE1 3.21Å; M197-E234 WeakPolarHBondContact CB-OE1 3.42Å; M197-E234 HydrophobicContact CG-CG 4.07Å; M197-E234 WeakPolarHBondContact CG-OE1 3.31Å; M197-E234 PolarHBondContact N-OE1 2.94Å
198D57.6Low58.9Low88 Ų8860.3 Ų60.347%0.47131%0.313SS..Hα-helixtrans-61.4-43.9174.4-79.6-15000110.5D196 F200 H227D196-D198 PolarHBondContact O-N 3.24Å; D196-D198 PolarHBondContact OD1-N 2.91Å; D198-F200 VanDerWaalsContact C-N 3.25Å; D198-F200 PolarHBondContact O-N 3.42Å; D198-H227 IonicContact OD1-ND1 2.68Å
199Y56.2Low57.6Low137 Ų13768 Ų6854%0.53735%0.349SS..Hα-helixtrans-63.1-29.9171.6-179.5-108.4000113D196 M197 L203D196-Y199 WeakPolarHBondContact O-CB 3.33Å; D196-Y199 PolarHBondContact O-N 3.4Å; D196-Y199 VanDerWaalsContact O-N 3.09Å; D196-Y199 PolarHBondContact OD1-N 3.19Å; D196-Y199 VanDerWaalsContact OD1-N 3.12Å; M197-Y199 VanDerWaalsContact C-N 3.34Å; Y199-L203 HydrophobicContact CD1-CD1 3.76Å; Y199-L203 HydrophobicContact CE1-CD1 3.26Å; Y199-L203 HydrophobicContact CE1-CG 4.2Å; Y199-L203 HydrophobicContact CE2-CD1 4.48Å; Y199-L203 WeakPolarHBondContact O-CG 3.38Å; Y199-L203 PolarHBondContact O-N 2.81Å
200F56.6Low56.5Low8 Ų871.6 Ų71.64%0.03537%0.365CS..Hα-helixtrans-84.3-34.3-176.6-70.3-66.7000115.2Y187 R191 N194 D196 M197 D198 D202 L203 D204Y187-F200 AromaticContact CE2-CD1 3.96Å; Y187-F200 HydrophobicContact CE2-CD1 3.96Å; Y187-F200 HydrophobicContact CE2-CE1 4.04Å; R191-F200 HydrophobicContact CB-CD1 4.27Å; R191-F200 HydrophobicContact CB-CE1 3.67Å; R191-F200 HydrophobicContact CB-CE2 4.17Å; R191-F200 HydrophobicContact CB-CZ 3.69Å; R191-F200 HydrophobicContact CG-CD1 3.82Å; R191-F200 HydrophobicContact CG-CD2 3.79Å; R191-F200 HydrophobicContact CG-CE1 3.68Å; R191-F200 HydrophobicContact CG-CE2 3.71Å; R191-F200 HydrophobicContact CG-CG 3.94Å; R191-F200 HydrophobicContact CG-CZ 3.69Å; N194-F200 WeakPolarHBondContact O-CE2 3.38Å; D196-F200 VanDerWaalsContact C-CD2 3.42Å; D196-F200 WeakPolarHBondContact O-CD2 3.44Å; D196-F200 WeakPolarHBondContact O-CE2 3.48Å; D196-F200 PolarHBondContact O-N 2.85Å; D196-F200 VanDerWaalsContact O-N 3.14Å; M197-F200 PolarHBondContact O-N 2.93Å; D198-F200 VanDerWaalsContact C-N 3.25Å; D198-F200 PolarHBondContact O-N 3.42Å; F200-D202 PolarHBondContact O-N 3.17Å; F200-L203 HydrophobicContact CD1-CD1 4.19Å; F200-L203 HydrophobicContact CE1-CD1 4.37Å; F200-L203 PolarHBondContact O-N 3.26Å; F200-D204 PolarHBondContact O-N 3.46Å
201F60Low55.7Low47 Ų4774.2 Ų74.221%0.20637%0.372CS..Hα-helixtrans-61.5-32.8172.8-75.3-65.3000111.7M197 T226 A230M197-F201 HydrophobicContact CB-CD2 4.38Å; M197-F201 HydrophobicContact CB-CE2 4.03Å; M197-F201 HydrophobicContact CE-CE2 3.84Å; M197-F201 HydrophobicContact CE-CZ 3.7Å; M197-F201 WeakPolarHBondContact O-CD2 3.27Å; M197-F201 PolarHBondContact O-N 2.87Å; F201-T226 HydrophobicContact CE1-CG2 3.77Å; F201-T226 HydrophobicContact CE2-CG2 4.47Å; F201-T226 HydrophobicContact CZ-CG2 3.47Å; F201-T226 VanDerWaalsContact CZ-CG2 3.47Å; F201-A230 HydrophobicContact CE2-CB 4.06Å
202D56.8Low54.7Low111 Ų11177.2 Ų77.259%0.59440%0.403SS*.Hα-helixtrans-72.1-28.3174-73-13.5000112.5F200F200-D202 PolarHBondContact O-N 3.17Å
203L52.9Low53.7Low39 Ų3982.4 Ų82.420%0.20443%0.428CS..Hα-helixtrans-85-30.9-179.7-79.1179.7000114.7Y187 Y199 F200 Q205 V206 F207Y187-L203 HydrophobicContact CE2-CD1 4.11Å; Y199-L203 HydrophobicContact CD1-CD1 3.76Å; Y199-L203 HydrophobicContact CE1-CD1 3.26Å; Y199-L203 HydrophobicContact CE1-CG 4.2Å; Y199-L203 HydrophobicContact CE2-CD1 4.48Å; Y199-L203 WeakPolarHBondContact O-CG 3.38Å; Y199-L203 PolarHBondContact O-N 2.81Å; F200-L203 HydrophobicContact CD1-CD1 4.19Å; F200-L203 HydrophobicContact CE1-CD1 4.37Å; F200-L203 PolarHBondContact O-N 3.26Å; L203-Q205 PolarHBondContact O-N 3.4Å; L203-V206 HydrophobicContact CD2-CG2 4.41Å; L203-V206 WeakPolarHBondContact O-CA 3.47Å; L203-V206 VanDerWaalsContact O-CB 3.32Å; L203-V206 WeakPolarHBondContact O-CB 3.28Å; L203-V206 PolarHBondContact O-N 3.38Å; L203-F207 WeakPolarHBondContact O-CD2 3.41Å; L203-F207 PolarHBondContact O-N 3.36Å
204D58.6Low52.7Low20 Ų2084.5 Ų84.511%0.10744%0.435CS..Hα-helixtrans-56.6-35.5176.4-8410.7000110.9S149 Y187 R191 F200 V206 F207 D208S149-D204 WeakPolarHBondContact CB-OD2 3.38Å; S149-D204 PolarHBondContact N-OD2 3.43Å; S149-D204 VanDerWaalsContact OG-CG 3.27Å; S149-D204 PolarHBondContact OG-OD2 3Å; Y187-D204 PolarHBondContact OH-OD1 3.49Å; Y187-D204 VanDerWaalsContact OH-OD1 3.05Å; R191-D204 IonicContact NH1-OD1 3.93Å; R191-D204 PolarHBondContact NH1-OD1 2.96Å; F200-D204 PolarHBondContact O-N 3.46Å; D204-V206 PolarHBondContact O-N 3.41Å; D204-V206 VanDerWaalsContact O-N 3.13Å; D204-F207 PolarHBondContact O-N 2.92Å; D204-F207 VanDerWaalsContact O-N 3.17Å; D204-D208 PolarHBondContact O-N 3.45Å
205Q53.8Low52Low126 Ų12685.2 Ų85.259%0.58943%0.434SS*.Hα-helixtrans-57.2-28.2172.8-61.1-177.822.200113.3L203L203-Q205 PolarHBondContact O-N 3.4Å
206V52.4Low51.4Low75 Ų7590.5 Ų90.546%0.45545%0.454SS..Hα-helixtrans-83.4-32.9-179.2-1740000111.9L203 D204L203-V206 HydrophobicContact CD2-CG2 4.41Å; L203-V206 WeakPolarHBondContact O-CA 3.47Å; L203-V206 VanDerWaalsContact O-CB 3.32Å; L203-V206 WeakPolarHBondContact O-CB 3.28Å; L203-V206 PolarHBondContact O-N 3.38Å; D204-V206 PolarHBondContact O-N 3.41Å; D204-V206 VanDerWaalsContact O-N 3.13Å
207F52.4Low50.6Low44 Ų4496 Ų9619%0.19348%0.477CS..Hα-helixtrans-76.7-34.7179-73.7-77.8000112.4Y187 L203 D204 E209 E210 D211Y187-F207 HydrophobicContact CD1-CE2 4.17Å; Y187-F207 HydrophobicContact CD1-CZ 4.09Å; Y187-F207 AromaticContact CD2-CE2 3.48Å; Y187-F207 HydrophobicContact CD2-CE2 3.48Å; Y187-F207 VanDerWaalsContact CD2-CE2 3.48Å; Y187-F207 AromaticContact CD2-CZ 3.45Å; Y187-F207 HydrophobicContact CD2-CZ 3.45Å; Y187-F207 VanDerWaalsContact CD2-CZ 3.45Å; Y187-F207 HydrophobicContact CE1-CD2 4.33Å; Y187-F207 AromaticContact CE1-CE2 3.95Å; Y187-F207 HydrophobicContact CE1-CE2 3.95Å; Y187-F207 HydrophobicContact CE1-CZ 4.35Å; Y187-F207 HydrophobicContact CE2-CD2 4.2Å; Y187-F207 AromaticContact CE2-CE2 3.27Å; Y187-F207 HydrophobicContact CE2-CE2 3.27Å; Y187-F207 AromaticContact CE2-CZ 3.8Å; Y187-F207 HydrophobicContact CE2-CZ 3.8Å; Y187-F207 HydrophobicContact CG-CE1 4.43Å; Y187-F207 AromaticContact CG-CE2 3.92Å; Y187-F207 HydrophobicContact CG-CE2 3.92Å; Y187-F207 AromaticContact CG-CZ 3.6Å; Y187-F207 HydrophobicContact CG-CZ 3.6Å; Y187-F207 AromaticContact CZ-CD2 3.98Å; Y187-F207 AromaticContact CZ-CE2 3.48Å; Y187-F207 VanDerWaalsContact CZ-CE2 3.48Å; L203-F207 WeakPolarHBondContact O-CD2 3.41Å; L203-F207 PolarHBondContact O-N 3.36Å; D204-F207 PolarHBondContact O-N 2.92Å; D204-F207 VanDerWaalsContact O-N 3.17Å; F207-E209 VanDerWaalsContact C-N 3.25Å; F207-E209 PolarHBondContact O-N 2.87Å; F207-E210 PolarHBondContact O-N 2.95Å; F207-E210 VanDerWaalsContact O-N 3.09Å; F207-D211 PolarHBondContact O-N 3.24Å
208D50.5Low50.1Low45 Ų45103.9 Ų103.924%0.24151%0.514CS..Hα-helixtrans-64.4-31176.1-68.9-23.3000112.1D204 E210 G212 E213 H215D204-D208 PolarHBondContact O-N 3.45Å; D208-E210 VanDerWaalsContact C-N 3.29Å; D208-E210 PolarHBondContact O-N 3.13Å; D208-G212 PolarHBondContact O-N 3.25Å; D208-G212 VanDerWaalsContact O-N 3.08Å; D208-E213 PolarHBondContact O-N 2.96Å; D208-E213 VanDerWaalsContact O-N 3.1Å; D208-H215 IonicContact OD2-CD2 3.82Å; D208-H215 PolarHBondContact OD2-CD2 3.08Å
209E48.1Very low49.9Very low160 Ų160108.1 Ų108.175%0.74853%0.531SS*.Hα-helixtrans-63.8-29.5172.5-74.4-176.8179.200113.1F207F207-E209 VanDerWaalsContact C-N 3.25Å; F207-E209 PolarHBondContact O-N 2.87Å
210E50.1Low50.1Low143 Ų143104 Ų10467%0.66853%0.525SS*.Hα-helixtrans-81.9-37.7178.4-73-169163.500113F207 D208 G212F207-E210 PolarHBondContact O-N 2.95Å; F207-E210 VanDerWaalsContact O-N 3.09Å; D208-E210 VanDerWaalsContact C-N 3.29Å; D208-E210 PolarHBondContact O-N 3.13Å; E210-G212 VanDerWaalsContact C-N 3.28Å
211D51.8Low50.6Low107 Ų107109.1 Ų109.157%0.57256%0.559SS**Hα-helixtrans-83.6-4178.3-77.4-38.1000112.3K184 F207K184-D211 IonicContact NZ-OD1 2.81Å; K184-D211 IonicContact NZ-OD2 3.39Å; K184-D211 PolarHBondContact NZ-OD2 2.81Å; F207-D211 PolarHBondContact O-N 3.24Å
212G45.3Very low51.2Low64 Ų64113.4 Ų113.466%0.6658%0.578SS**THydrogen-bonded Turntrans80.720.7171.500000114.5D208 E210D208-G212 PolarHBondContact O-N 3.25Å; D208-G212 VanDerWaalsContact O-N 3.08Å; E210-G212 VanDerWaalsContact C-N 3.28Å
213E42Very low52.1Low126 Ų126111.4 Ų111.459%0.58957%0.567SS**  trans-95.2100.5178.3-63.4-166.1-179.700109.6D208 H215D208-E213 PolarHBondContact O-N 2.96Å; D208-E213 VanDerWaalsContact O-N 3.1Å; E213-H215 PolarHBondContact O-N 3.35Å; E213-H215 VanDerWaalsContact O-N 3.08Å
214E36.6Very low53.4Low179 Ų179118.6 Ų118.684%0.83660%0.597SS**  trans-69.999.9175.3-71.1-178176.600110.6H216E214-H216 PolarHBondContact O-N 2.86Å
215H42.6Very low54.5Low140 Ų140122.3 Ų122.365%0.64862%0.616SS**  trans-82.8110.5164.9-84.7-66.7000110.8D208 E213 E217D208-H215 IonicContact OD2-CD2 3.82Å; D208-H215 PolarHBondContact OD2-CD2 3.08Å; E213-H215 PolarHBondContact O-N 3.35Å; E213-H215 VanDerWaalsContact O-N 3.08Å; H215-E217 PolarHBondContact O-N 3.07Å
216H40.1Very low55.7Low157 Ų157118.1 Ų118.173%0.72760%0.599SS**  trans-59.2131.9162.9-77.7-70.5000109.9E214 Q218E214-H216 PolarHBondContact O-N 2.86Å; H216-Q218 PolarHBondContact O-N 2.91Å
217E41.8Very low57Low197 Ų197118.2 Ų118.292%0.92159%0.594SS**  trans-59.552.9170.7-68.6177.2141.300113.4H215 E219H215-E217 PolarHBondContact O-N 3.07Å; E217-E219 PolarHBondContact O-N 3.13Å
218Q46.8Very low58.4Low168 Ų168118.8 Ų118.879%0.78561%0.607SS**  trans-79.7109.8162.9-75.6-175.17.200107H216 A220H216-Q218 PolarHBondContact O-N 2.91Å; Q218-A220 PolarHBondContact O-N 3.48Å
219E51.9Low59.8Low177 Ų177118.6 Ų118.683%0.82761%0.606SS**  trans-45.1105168.3-70.3-176.5163.100108.7E217E217-E219 PolarHBondContact O-N 3.13Å
220A60.5Low61.2Low50 Ų50111 Ų11141%0.41357%0.571SS.*  trans-61.5136-175.300000108.4Q218 F222 N223Q218-A220 PolarHBondContact O-N 3.48Å; A220-F222 PolarHBondContact O-N 2.86Å; A220-N223 WeakPolarHBondContact CB-OD1 3.39Å; A220-N223 PolarHBondContact O-N 2.85Å; A220-N223 VanDerWaalsContact O-N 3.13Å; A220-N223 PolarHBondContact O-OD1 3.17Å
221P68.1Low62.5Low116 Ų116107 Ų10775%0.75355%0.554SS**THydrogen-bonded Turntrans-60.2-10.8-169.619.8-31.5000114.4
222F71.1Confident63.6Low138 Ų138105.8 Ų105.861%0.60555%0.547SS*.THydrogen-bonded Turntrans-114.59.6-174.8-54.7-67.5000114.7A220 K224 L225 T226A220-F222 PolarHBondContact O-N 2.86Å; F222-K224 VanDerWaalsContact C-N 3.25Å; F222-K224 PolarHBondContact O-N 2.98Å; F222-K224 VanDerWaalsContact O-N 3.07Å; F222-L225 WeakPolarHBondContact O-CA 3.32Å; F222-L225 WeakPolarHBondContact O-CB 3.43Å; F222-L225 PolarHBondContact O-N 2.93Å; F222-T226 PolarHBondContact O-N 3.37Å; F222-T226 PolarHBondContact O-OG1 3.15Å
223N76.1Confident65Low69 Ų69103.2 Ų103.237%0.36952%0.518SS..Hα-helixtrans-48.5-43.7-176.5-78.3-3.5000113.6A220 L225 T226 H227A220-N223 WeakPolarHBondContact CB-OD1 3.39Å; A220-N223 PolarHBondContact O-N 2.85Å; A220-N223 VanDerWaalsContact O-N 3.13Å; A220-N223 PolarHBondContact O-OD1 3.17Å; N223-L225 VanDerWaalsContact C-N 3.32Å; N223-L225 PolarHBondContact O-N 3.02Å; N223-T226 PolarHBondContact O-N 3.03Å; N223-H227 PolarHBondContact O-CD2 3.3Å; N223-H227 PolarHBondContact O-N 2.92Å
224K81.7Confident66.4Low190 Ų19099.7 Ų99.783%0.82650%0.502SS*.Hα-helixtrans-61.1-38177.8-68.2-176-179.4177.70113.5F222 A228F222-K224 VanDerWaalsContact C-N 3.25Å; F222-K224 PolarHBondContact O-N 2.98Å; F222-K224 VanDerWaalsContact O-N 3.07Å; K224-A228 WeakPolarHBondContact O-CB 3.38Å; K224-A228 PolarHBondContact O-N 2.66Å
225L81.3Confident67.8Low98 Ų98100.4 Ų100.451%0.51350%0.497SS..Hα-helixtrans-71.6-44.9176.717563.2000110.1F222 N223 H227 A228 L229F222-L225 WeakPolarHBondContact O-CA 3.32Å; F222-L225 WeakPolarHBondContact O-CB 3.43Å; F222-L225 PolarHBondContact O-N 2.93Å; N223-L225 VanDerWaalsContact C-N 3.32Å; N223-L225 PolarHBondContact O-N 3.02Å; L225-H227 PolarHBondContact O-N 3.36Å; L225-A228 PolarHBondContact O-N 3Å; L225-A228 VanDerWaalsContact O-N 3.15Å; L225-L229 HydrophobicContact CD1-CD1 4.09Å; L225-L229 HydrophobicContact CD1-CG 4.12Å; L225-L229 HydrophobicContact CG-CD1 3.95Å; L225-L229 HydrophobicContact CG-CG 4.4Å; L225-L229 WeakPolarHBondContact O-CG 3.31Å; L225-L229 PolarHBondContact O-N 3.09Å
226T78.9Confident68.7Low37 Ų37101.5 Ų101.523%0.22750%0.496CS..Hα-helixtrans-56.3-48.7177.6-55.10000111.3L153 F201 F222 N223 A228 L229 A230L153-T226 HydrophobicContact CD2-CG2 4.1Å; F201-T226 HydrophobicContact CE1-CG2 3.77Å; F201-T226 HydrophobicContact CE2-CG2 4.47Å; F201-T226 HydrophobicContact CZ-CG2 3.47Å; F201-T226 VanDerWaalsContact CZ-CG2 3.47Å; F222-T226 PolarHBondContact O-N 3.37Å; F222-T226 PolarHBondContact O-OG1 3.15Å; N223-T226 PolarHBondContact O-N 3.03Å; T226-A228 PolarHBondContact O-N 2.81Å; T226-L229 PolarHBondContact O-N 3.27Å; T226-A230 WeakPolarHBondContact O-CB 3.41Å; T226-A230 PolarHBondContact O-N 3.13Å
227H79.4Confident69.8Low77 Ų7798.1 Ų98.136%0.35649%0.49SS..Hα-helixtrans-62.7-41.1175.3-74-69.1000112.4D198 N223 L225 L229 A230 D231D198-H227 IonicContact OD1-ND1 2.68Å; N223-H227 PolarHBondContact O-CD2 3.3Å; N223-H227 PolarHBondContact O-N 2.92Å; L225-H227 PolarHBondContact O-N 3.36Å; H227-L229 VanDerWaalsContact C-N 3.28Å; H227-L229 PolarHBondContact O-N 3.21Å; H227-A230 PolarHBondContact O-N 2.63Å; H227-D231 WeakPolarHBondContact O-CB 3.49Å; H227-D231 PolarHBondContact O-N 3.05Å
228A82.8Confident70.9Confident57 Ų5792 Ų9247%0.47147%0.466SS..Hα-helixtrans-63.9-33.3177.100000113K224 L225 T226 L232K224-A228 WeakPolarHBondContact O-CB 3.38Å; K224-A228 PolarHBondContact O-N 2.66Å; L225-A228 PolarHBondContact O-N 3Å; L225-A228 VanDerWaalsContact O-N 3.15Å; T226-A228 PolarHBondContact O-N 2.81Å; A228-L232 PolarHBondContact O-N 2.79Å
229L79.7Confident72.1Confident41 Ų4184.9 Ų84.922%0.21543%0.434CS..Hα-helixtrans-75.9-39.8175.2-68170.1000111.7L153 L157 L225 T226 H227 L232 I233L153-L229 HydrophobicContact CD1-CB 3.99Å; L153-L229 HydrophobicContact CD2-CB 4.3Å; L153-L229 HydrophobicContact CD2-CD1 4.17Å; L157-L229 HydrophobicContact CD1-CD1 4.24Å; L157-L229 HydrophobicContact CD2-CD2 4.32Å; L225-L229 HydrophobicContact CD1-CD1 4.09Å; L225-L229 HydrophobicContact CD1-CG 4.12Å; L225-L229 HydrophobicContact CG-CD1 3.95Å; L225-L229 HydrophobicContact CG-CG 4.4Å; L225-L229 WeakPolarHBondContact O-CG 3.31Å; L225-L229 PolarHBondContact O-N 3.09Å; T226-L229 PolarHBondContact O-N 3.27Å; H227-L229 VanDerWaalsContact C-N 3.28Å; H227-L229 PolarHBondContact O-N 3.21Å; L229-L232 WeakPolarHBondContact O-CB 3.36Å; L229-L232 PolarHBondContact O-N 2.82Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.3Å
230A76.3Confident73.5Confident1 Ų181.1 Ų81.11%0.00842%0.416CS..Hα-helixtrans-59.2-50.917300000110.9M197 F201 T226 H227 L232 I233 E234M197-A230 HydrophobicContact CB-CB 3.85Å; M197-A230 HydrophobicContact CE-CB 4.15Å; M197-A230 HydrophobicContact CG-CB 3.95Å; F201-A230 HydrophobicContact CE2-CB 4.06Å; T226-A230 WeakPolarHBondContact O-CB 3.41Å; T226-A230 PolarHBondContact O-N 3.13Å; H227-A230 PolarHBondContact O-N 2.63Å; A230-L232 PolarHBondContact O-N 2.9Å; A230-I233 PolarHBondContact O-N 2.79Å; A230-E234 WeakPolarHBondContact O-CG 3.36Å; A230-E234 PolarHBondContact O-N 3.23Å
231D76.9Confident74.7Confident58 Ų5878.9 Ų78.931%0.3140%0.397SS..Hα-helixtrans-51.9-42.1173.8-85.413.5000111.9H227 R235H227-D231 WeakPolarHBondContact O-CB 3.49Å; H227-D231 PolarHBondContact O-N 3.05Å; D231-R235 WeakPolarHBondContact O-CB 3.22Å; D231-R235 VanDerWaalsContact O-CD 3.28Å; D231-R235 WeakPolarHBondContact O-CD 3.37Å; D231-R235 WeakPolarHBondContact O-CG 3.42Å; D231-R235 PolarHBondContact O-N 2.94Å; D231-R235 IonicContact OD2-NH2 2.66Å
232L76.1Confident75.8Confident82 Ų8273.8 Ų73.843%0.42936%0.364SS..Hα-helixtrans-65.9-44.7178.9-178.671.1000111.2A228 L229 A230 Y236A228-L232 PolarHBondContact O-N 2.79Å; L229-L232 WeakPolarHBondContact O-CB 3.36Å; L229-L232 PolarHBondContact O-N 2.82Å; A230-L232 PolarHBondContact O-N 2.9Å; L232-Y236 HydrophobicContact CD1-CD2 3.66Å; L232-Y236 HydrophobicContact CD1-CE2 3.41Å; L232-Y236 VanDerWaalsContact CD1-CE2 3.41Å; L232-Y236 HydrophobicContact CG-CD2 4.41Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.06Å; L232-Y236 PolarHBondContact O-N 3.35Å
233I74.7Confident76.7Confident10 Ų1069.2 Ų69.25%0.05135%0.348CS..Hα-helixtrans-64.3-45-179.5-70.5164.6000110.5L153 V156 L229 A230 S237L153-I233 HydrophobicContact CD1-CD1 3.21Å; V156-I233 HydrophobicContact CB-CD1 4.03Å; V156-I233 HydrophobicContact CG1-CB 4.49Å; V156-I233 HydrophobicContact CG1-CD1 3.52Å; V156-I233 HydrophobicContact CG1-CG1 3.68Å; V156-I233 HydrophobicContact CG1-CG2 3.98Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.3Å; A230-I233 PolarHBondContact O-N 2.79Å; I233-S237 PolarHBondContact O-N 3.14Å; I233-S237 VanDerWaalsContact O-N 3.11Å
234E70.5Confident77.5Confident52 Ų5266.5 Ų66.524%0.24333%0.334CS..Hα-helixtrans-65.2-52178.4-70.1-177.5179.200112.7P195 M197 A230 Y236 S237P195-E234 WeakPolarHBondContact O-CG 3.35Å; M197-E234 WeakPolarHBondContact CA-OE1 3.21Å; M197-E234 WeakPolarHBondContact CB-OE1 3.42Å; M197-E234 HydrophobicContact CG-CG 4.07Å; M197-E234 WeakPolarHBondContact CG-OE1 3.31Å; M197-E234 PolarHBondContact N-OE1 2.94Å; A230-E234 WeakPolarHBondContact O-CG 3.36Å; A230-E234 PolarHBondContact O-N 3.23Å; E234-Y236 PolarHBondContact O-N 3.38Å; E234-Y236 VanDerWaalsContact O-N 3.12Å; E234-S237 PolarHBondContact O-N 3.46Å
235R66Low77.9Confident194 Ų19457.9 Ų57.973%0.73230%0.297SS*.Hα-helixtrans-57.4-34.8-173.9-80.3169.7-174-128.53.6112.7D231D231-R235 WeakPolarHBondContact O-CB 3.22Å; D231-R235 VanDerWaalsContact O-CD 3.28Å; D231-R235 WeakPolarHBondContact O-CD 3.37Å; D231-R235 WeakPolarHBondContact O-CG 3.42Å; D231-R235 PolarHBondContact O-N 2.94Å; D231-R235 IonicContact OD2-NH2 2.66Å
236Y62.7Low78.3Confident163 Ų16359.5 Ų59.564%0.63930%0.296SS*.Hα-helixtrans-98.2-5.9-177.9-70.8-93.9000112.5L232 E234 V238L232-Y236 HydrophobicContact CD1-CD2 3.66Å; L232-Y236 HydrophobicContact CD1-CE2 3.41Å; L232-Y236 VanDerWaalsContact CD1-CE2 3.41Å; L232-Y236 HydrophobicContact CG-CD2 4.41Å; L232-Y236 VanDerWaalsContact O-CD2 3.29Å; L232-Y236 WeakPolarHBondContact O-CD2 3.06Å; L232-Y236 PolarHBondContact O-N 3.35Å; E234-Y236 PolarHBondContact O-N 3.38Å; E234-Y236 VanDerWaalsContact O-N 3.12Å; Y236-V238 HydrophobicContact CG-CG2 4.16Å; Y236-V238 WeakPolarHBondContact O-CA 3.44Å; Y236-V238 WeakPolarHBondContact O-CG2 3.28Å; Y236-V238 PolarHBondContact O-N 3.18Å
237S63.5Low78.7Confident86 Ų8663.4 Ų63.460%0.60132%0.315SS*.THydrogen-bonded Turntrans40.835.6-177-175.40000112.2I233 E234 V239I233-S237 PolarHBondContact O-N 3.14Å; I233-S237 VanDerWaalsContact O-N 3.11Å; E234-S237 PolarHBondContact O-N 3.46Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 2.9Å
238V64Low79.3Confident68 Ų6864.8 Ų64.841%0.41232%0.32SS..  trans-72-28-158.1-168.60000111.4L160 Y236L160-V238 HydrophobicContact CD2-CB 3.95Å; L160-V238 HydrophobicContact CD2-CG1 3.46Å; L160-V238 VanDerWaalsContact CD2-CG1 3.46Å; Y236-V238 HydrophobicContact CG-CG2 4.16Å; Y236-V238 WeakPolarHBondContact O-CA 3.44Å; Y236-V238 WeakPolarHBondContact O-CG2 3.28Å; Y236-V238 PolarHBondContact O-N 3.18Å
239V73Confident79.7Confident19 Ų1966.3 Ų66.312%0.11532%0.318CS..  trans-125.595.4-164.1-166.90000109V156 A159 L160 M163 N172 S237 F241V156-V239 HydrophobicContact CG1-CB 4.08Å; V156-V239 HydrophobicContact CG1-CG1 4.42Å; V156-V239 HydrophobicContact CG1-CG2 3.77Å; A159-V239 HydrophobicContact CB-CG1 4.39Å; L160-V239 HydrophobicContact CD1-CG2 4.16Å; L160-V239 HydrophobicContact CD2-CG2 3.49Å; L160-V239 VanDerWaalsContact CD2-CG2 3.49Å; L160-V239 HydrophobicContact CG-CG2 3.68Å; M163-V239 HydrophobicContact CE-CG1 4.36Å; M163-V239 HydrophobicContact CE-CG2 3.98Å; N172-V239 HydrophobicContact CB-CG1 4.39Å; N172-V239 VanDerWaalsContact ND2-CG1 3.31Å; N172-V239 WeakPolarHBondContact ND2-CG1 3.36Å; S237-V239 VanDerWaalsContact C-N 3.26Å; S237-V239 PolarHBondContact O-N 2.9Å; V239-F241 HydrophobicContact CB-CE2 4.49Å; V239-F241 HydrophobicContact CG1-CD2 4.04Å; V239-F241 HydrophobicContact CG1-CE2 3.38Å; V239-F241 HydrophobicContact CG1-CZ 3.92Å
240H80.5Confident80.4Confident97 Ų9770.4 Ų70.445%0.44934%0.34SS..  trans-93.6143.2166-16669.3000109.4N172 Y192N172-H240 WeakPolarHBondContact CB-O 3.1Å; N172-H240 PolarHBondContact ND2-O 3.12Å; Y192-H240 PolarHBondContact O-CE1 3.03Å; Y192-H240 PolarHBondContact O-ND1 2.72Å
241F86.2Confident81.2Confident3 Ų371.4 Ų71.41%0.01335%0.346CS..EExtended strand (participates in β ladder)trans-113128.8175.4-75.7-99.1000110.3L141 L146 V156 N172 M174 Y192 V239L141-F241 HydrophobicContact CB-CE1 4.04Å; L141-F241 HydrophobicContact CD1-CE1 3.47Å; L141-F241 VanDerWaalsContact CD1-CE1 3.47Å; L141-F241 HydrophobicContact CD1-CZ 3.48Å; L141-F241 VanDerWaalsContact CD1-CZ 3.48Å; L141-F241 HydrophobicContact CG-CE1 3.85Å; L141-F241 HydrophobicContact CG-CZ 4.32Å; L146-F241 HydrophobicContact CD1-CD1 4.15Å; L146-F241 HydrophobicContact CD1-CE1 4.42Å; L146-F241 HydrophobicContact CD1-CG 4.33Å; V156-F241 HydrophobicContact CG2-CE2 4.18Å; N172-F241 HydrophobicContact CB-CD1 3.49Å; N172-F241 VanDerWaalsContact CB-CD1 3.49Å; N172-F241 HydrophobicContact CB-CD2 4.23Å; N172-F241 HydrophobicContact CB-CE1 3.46Å; N172-F241 VanDerWaalsContact CB-CE1 3.46Å; N172-F241 HydrophobicContact CB-CE2 4.25Å; N172-F241 HydrophobicContact CB-CG 3.89Å; N172-F241 HydrophobicContact CB-CZ 3.87Å; N172-F241 CarbonylContact O-C 3.59Å; N172-F241 WeakPolarHBondContact O-CA 3.16Å; M174-F241 HydrophobicContact CB-CB 4.32Å; M174-F241 HydrophobicContact CB-CD1 4.36Å; Y192-F241 HydrophobicContact CD1-CB 3.71Å; Y192-F241 AromaticContact CD1-CD2 3.71Å; Y192-F241 HydrophobicContact CD1-CD2 3.71Å; Y192-F241 HydrophobicContact CD1-CG 4.1Å; Y192-F241 HydrophobicContact CE1-CB 3.8Å; Y192-F241 AromaticContact CE1-CD2 3.3Å; Y192-F241 HydrophobicContact CE1-CD2 3.3Å; Y192-F241 HydrophobicContact CE1-CE2 4.06Å; Y192-F241 AromaticContact CE1-CG 3.75Å; Y192-F241 HydrophobicContact CE1-CG 3.75Å; Y192-F241 HydrophobicContact CG-CB 4.29Å; V239-F241 HydrophobicContact CB-CE2 4.49Å; V239-F241 HydrophobicContact CG1-CD2 4.04Å; V239-F241 HydrophobicContact CG1-CE2 3.38Å; V239-F241 HydrophobicContact CG1-CZ 3.92Å
242V89.9Confident82.1Confident9 Ų968.8 Ų68.86%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-86127.1173.7-173.90000108.7I171 N172 V173 M174 L244 L255I171-V242 HydrophobicContact CG2-CG2 3.99Å; N172-V242 PolarHBondContact O-N 3.39Å; V173-V242 WeakPolarHBondContact CA-O 3.43Å; M174-V242 PolarHBondContact N-O 3.27Å; V242-L244 PolarHBondContact O-N 3.01Å; V242-L255 HydrophobicContact CB-CD1 4.13Å; V242-L255 HydrophobicContact CG1-CB 4.3Å; V242-L255 HydrophobicContact CG1-CD1 4Å; V242-L255 HydrophobicContact CG2-CD1 4.39Å
243P90.7Very high83Confident42 Ų4267.2 Ų67.227%0.27333%0.326SS..EExtended strand (participates in β ladder)trans-70.6128.2177.228.5-33.3000110.7M174 L177 M189M174-P243 HydrophobicContact CE-CB 4.43Å; L177-P243 HydrophobicContact CD1-CB 3.37Å; M189-P243 HydrophobicContact CE-CB 3.74Å; M189-P243 HydrophobicContact CE-CG 4.06Å
244L92.7Very high83.9Confident13 Ų1371.5 Ų71.57%0.06835%0.349CS..  trans-118.8116.6172.7178.569.4000109.9Y19 V173 M174 V242 I252 L255Y19-L244 HydrophobicContact CD2-CD2 3.59Å; Y19-L244 HydrophobicContact CE2-CD2 4.18Å; V173-L244 HydrophobicContact CG1-CB 3.51Å; V173-L244 HydrophobicContact CG1-CD2 3.86Å; V173-L244 HydrophobicContact CG1-CG 4.31Å; M174-L244 PolarHBondContact O-N 3.12Å; V242-L244 PolarHBondContact O-N 3.01Å; L244-I252 HydrophobicContact CD1-CG1 3.86Å; L244-L255 HydrophobicContact CD1-CD2 4.09Å
245N90.6Very high85.1Confident9 Ų969 Ų695%0.04834%0.337CS..  trans-116.9113169.8-176.3-34.3000108.3L177 D247 K248 T251L177-N245 HydrophobicContact CB-CB 4.12Å; N245-D247 PolarHBondContact O-N 3.01Å; N245-D247 VanDerWaalsContact O-N 3.12Å; N245-D247 WeakPolarHBondContact OD1-CB 3.05Å; N245-D247 PolarHBondContact OD1-N 3.46Å; N245-K248 HydrophobicContact CB-CB 4.14Å; N245-K248 HydrophobicContact CB-CD 4.17Å; N245-K248 HydrophobicContact CB-CG 4.18Å; N245-K248 PolarHBondContact O-N 2.82Å; N245-T251 HydrophobicContact CB-CG2 4.42Å; N245-T251 PolarHBondContact N-OG1 2.92Å; N245-T251 PolarHBondContact O-OG1 3.45Å
246R88.5Confident86.6Confident132 Ų13260 Ų6050%0.49830%0.304SS..THydrogen-bonded Turntrans-60.9-22.1-177.666.9177.61791555.1114.2D178 K248D178-R246 IonicContact OD2-CZ 3.38Å; D178-R246 IonicContact OD2-NE 3.87Å; D178-R246 PolarHBondContact OD2-NE 2.97Å; D178-R246 VanDerWaalsContact OD2-NE 3.12Å; D178-R246 IonicContact OD2-NH2 2.71Å; D178-R246 PolarHBondContact OD2-NH2 3.48Å; R246-K248 VanDerWaalsContact C-N 3.31Å
247D88.9Confident88.1Confident119 Ų11955.4 Ų55.464%0.63629%0.292SS*.THydrogen-bonded Turntrans-84.2-9.1177.4-56.9-30.5000112.2D178 N245D178-D247 WeakPolarHBondContact CB-OD2 3.2Å; N245-D247 PolarHBondContact O-N 3.01Å; N245-D247 VanDerWaalsContact O-N 3.12Å; N245-D247 WeakPolarHBondContact OD1-CB 3.05Å; N245-D247 PolarHBondContact OD1-N 3.46Å
248K90.3Very high89.6Confident105 Ų10555.2 Ų55.246%0.45728%0.282SS..  trans-117.7101.4-176.8-63.4-176-178.4177.60111N245 R246 D250 T251N245-K248 HydrophobicContact CB-CB 4.14Å; N245-K248 HydrophobicContact CB-CD 4.17Å; N245-K248 HydrophobicContact CB-CG 4.18Å; N245-K248 PolarHBondContact O-N 2.82Å; R246-K248 VanDerWaalsContact C-N 3.31Å; K248-D250 PolarHBondContact O-N 2.88Å; K248-T251 HydrophobicContact CB-CG2 3.97Å; K248-T251 HydrophobicContact CD-CG2 4.47Å; K248-T251 PolarHBondContact O-N 3.38Å; K248-T251 PolarHBondContact O-OG1 2.98Å
249E92.7Very high91.1Very high89 Ų8952 Ų5242%0.41626%0.262SS..Hα-helixtrans-53.3-37.2178.7-164.871.5169.500113.8H26 T251 I252 T253H26-E249 IonicContact CE1-OE1 2.89Å; H26-E249 PolarHBondContact CE1-OE1 3.28Å; H26-E249 VanDerWaalsContact CE1-OE1 3.27Å; H26-E249 IonicContact CG-OE1 3.15Å; H26-E249 VanDerWaalsContact ND1-CD 3.27Å; H26-E249 IonicContact ND1-OE1 3.18Å; H26-E249 PolarHBondContact ND1-OE1 3.29Å; H26-E249 IonicContact ND1-OE2 2.66Å; E249-T251 VanDerWaalsContact C-N 3.25Å; E249-T251 PolarHBondContact O-N 2.87Å; E249-I252 PolarHBondContact O-N 3.32Å; E249-I252 VanDerWaalsContact O-N 3.14Å; E249-T253 PolarHBondContact O-N 2.76Å; E249-T253 PolarHBondContact O-OG1 3.38Å
250D93Very high92.2Very high127 Ų12751.6 Ų51.668%0.67926%0.259SS*.Hα-helixtrans-57.9-39.1178.2-62.1-21.8000111.6K248 I252 T253 D254K248-D250 PolarHBondContact O-N 2.88Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 2.89Å; D250-T253 PolarHBondContact O-N 3.33Å; D250-D254 WeakPolarHBondContact O-CB 3.33Å; D250-D254 VanDerWaalsContact O-CG 3.25Å; D250-D254 PolarHBondContact O-N 3.17Å
251T93.2Very high92.8Very high22 Ų2253.2 Ų53.214%0.13527%0.267CS..Hα-helixtrans-71.1-31.5-179.368.50000112.6N245 K248 E249 L255N245-T251 HydrophobicContact CB-CG2 4.42Å; N245-T251 PolarHBondContact N-OG1 2.92Å; N245-T251 PolarHBondContact O-OG1 3.45Å; K248-T251 HydrophobicContact CB-CG2 3.97Å; K248-T251 HydrophobicContact CD-CG2 4.47Å; K248-T251 PolarHBondContact O-N 3.38Å; K248-T251 PolarHBondContact O-OG1 2.98Å; E249-T251 VanDerWaalsContact C-N 3.25Å; E249-T251 PolarHBondContact O-N 2.87Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.4Å; T251-L255 PolarHBondContact O-N 2.56Å
252I95.7Very high93.1Very high3 Ų355.7 Ų55.72%0.01528%0.284CS..Hα-helixtrans-71.4-43.8175.5-56.9162.5000109.1T22 M23 H26 L244 E249 D250 L255 L256T22-I252 HydrophobicContact CG2-CD1 3.34Å; T22-I252 HydrophobicContact CG2-CG1 4Å; M23-I252 HydrophobicContact CE-CG2 4.15Å; M23-I252 HydrophobicContact SD-CG2 4.31Å; H26-I252 HydrophobicContact CB-CG2 3.79Å; L244-I252 HydrophobicContact CD1-CG1 3.86Å; E249-I252 PolarHBondContact O-N 3.32Å; E249-I252 VanDerWaalsContact O-N 3.14Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 2.89Å; I252-L255 PolarHBondContact O-N 2.9Å; I252-L256 WeakPolarHBondContact O-CB 3.23Å; I252-L256 PolarHBondContact O-N 3.41Å
253T95.6Very high93.3Very high50 Ų5055.5 Ų55.531%0.30728%0.283SS..Hα-helixtrans-61-50.1177.6-52.70000111.2H26 E249 D250 L255 L256 V257H26-T253 PolarHBondContact CE1-OG1 2.87Å; E249-T253 PolarHBondContact O-N 2.76Å; E249-T253 PolarHBondContact O-OG1 3.38Å; D250-T253 PolarHBondContact O-N 3.33Å; T253-L255 VanDerWaalsContact C-N 3.3Å; T253-L255 PolarHBondContact O-N 3.34Å; T253-L256 PolarHBondContact O-N 2.84Å; T253-V257 WeakPolarHBondContact O-CG2 3.17Å; T253-V257 PolarHBondContact O-N 2.66Å
254D93.9Very high93.4Very high99 Ų9958 Ų5853%0.52929%0.291SS..Hα-helixtrans-60.6-40.5179.4-74.1-18.2000111.7D250 V257 Q258D250-D254 WeakPolarHBondContact O-CB 3.33Å; D250-D254 VanDerWaalsContact O-CG 3.25Å; D250-D254 PolarHBondContact O-N 3.17Å; D254-V257 PolarHBondContact O-N 3.41Å; D254-Q258 WeakPolarHBondContact O-CG 3.41Å; D254-Q258 PolarHBondContact O-N 3.3Å; D254-Q258 VanDerWaalsContact O-N 3.17Å
255L95.7Very high93.2Very high0 Ų058.9 Ų58.90%029%0.294CS..Hα-helixtrans-65.4-44.1175.9176.957.8000111.5Y19 I171 V173 V242 L244 T251 I252 T253 V257 Q258 I259Y19-L255 HydrophobicContact CE2-CD2 3.67Å; I171-L255 HydrophobicContact CG2-CD1 3.92Å; V173-L255 HydrophobicContact CG1-CD2 3.99Å; V173-L255 HydrophobicContact CG2-CD1 3.7Å; V173-L255 HydrophobicContact CG2-CD2 3.83Å; V173-L255 HydrophobicContact CG2-CG 4.45Å; V242-L255 HydrophobicContact CB-CD1 4.13Å; V242-L255 HydrophobicContact CG1-CB 4.3Å; V242-L255 HydrophobicContact CG1-CD1 4Å; V242-L255 HydrophobicContact CG2-CD1 4.39Å; L244-L255 HydrophobicContact CD1-CD2 4.09Å; T251-L255 VanDerWaalsContact O-CB 3.31Å; T251-L255 WeakPolarHBondContact O-CB 3.4Å; T251-L255 PolarHBondContact O-N 2.56Å; I252-L255 PolarHBondContact O-N 2.9Å; T253-L255 VanDerWaalsContact C-N 3.3Å; T253-L255 PolarHBondContact O-N 3.34Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.3Å; L255-Q258 PolarHBondContact O-N 3.49Å; L255-I259 HydrophobicContact CD1-CD1 3.93Å; L255-I259 HydrophobicContact CD1-CG1 4.22Å; L255-I259 HydrophobicContact CG-CD1 3.81Å; L255-I259 WeakPolarHBondContact O-CB 3.3Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.24Å; L255-I259 PolarHBondContact O-N 2.9Å
256L96.5Very high93Very high6 Ų663.8 Ų63.83%0.03132%0.32CS..Hα-helixtrans-60.9-42.5177.5-176.958000111.6M23 L30 I252 T253 Q258 I259 D260M23-L256 HydrophobicContact CE-CB 4.39Å; M23-L256 HydrophobicContact SD-CB 4.31Å; M23-L256 HydrophobicContact SD-CD1 3.92Å; M23-L256 HydrophobicContact SD-CD2 4.39Å; M23-L256 HydrophobicContact SD-CG 4.44Å; L30-L256 HydrophobicContact CD1-CD2 3.88Å; I252-L256 WeakPolarHBondContact O-CB 3.23Å; I252-L256 PolarHBondContact O-N 3.41Å; T253-L256 PolarHBondContact O-N 2.84Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-Q258 PolarHBondContact O-N 3.06Å; L256-I259 WeakPolarHBondContact O-CB 3.06Å; L256-I259 PolarHBondContact O-N 2.96Å; L256-D260 WeakPolarHBondContact O-CB 3.02Å; L256-D260 VanDerWaalsContact O-CG 3.26Å; L256-D260 PolarHBondContact O-N 2.66Å
257V94.9Very high92.7Very high66 Ų6664.8 Ų64.840%0.433%0.33SS..Hα-helixtrans-59.9-43.5176170.90000111.6T253 D254 L255 D260 Q261T253-V257 WeakPolarHBondContact O-CG2 3.17Å; T253-V257 PolarHBondContact O-N 2.66Å; D254-V257 PolarHBondContact O-N 3.41Å; L255-V257 VanDerWaalsContact C-N 3.33Å; L255-V257 PolarHBondContact O-N 3.3Å; V257-D260 PolarHBondContact O-N 3.12Å; V257-Q261 VanDerWaalsContact O-CG 3.27Å; V257-Q261 WeakPolarHBondContact O-CG 3.06Å; V257-Q261 PolarHBondContact O-N 3.25Å
258Q94.3Very high92.2Very high81 Ų8162.7 Ų62.738%0.37932%0.317SS..Hα-helixtrans-65.8-39.5177.2-70.6-177.132.500112.3I171 D254 L255 L256 C262I171-Q258 HydrophobicContact CD1-CB 4.5Å; D254-Q258 WeakPolarHBondContact O-CG 3.41Å; D254-Q258 PolarHBondContact O-N 3.3Å; D254-Q258 VanDerWaalsContact O-N 3.17Å; L255-Q258 PolarHBondContact O-N 3.49Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-Q258 PolarHBondContact O-N 3.06Å; Q258-C262 WeakPolarHBondContact O-CB 3.47Å; Q258-C262 PolarHBondContact O-N 2.96Å
259I96.6Very high91.5Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-61.6-47.1175.3-74.3166.4000110.7Q6 Y19 M23 Y102 V136 I138 I171 L255 L256 Q261 C262 L263Q6-I259 HydrophobicContact CG-CG2 4.12Å; Y19-I259 VanDerWaalsContact OH-CD1 3.22Å; Y19-I259 WeakPolarHBondContact OH-CD1 3.48Å; M23-I259 HydrophobicContact CE-CD1 4.39Å; Y102-I259 WeakPolarHBondContact OH-CG2 2.86Å; V136-I259 HydrophobicContact CG1-CG2 3.92Å; I138-I259 HydrophobicContact CD1-CD1 3.67Å; I138-I259 HydrophobicContact CD1-CG1 3.73Å; I138-I259 HydrophobicContact CG1-CD1 4.42Å; I171-I259 HydrophobicContact CD1-CB 4.28Å; I171-I259 HydrophobicContact CD1-CG1 3.61Å; L255-I259 HydrophobicContact CD1-CD1 3.93Å; L255-I259 HydrophobicContact CD1-CG1 4.22Å; L255-I259 HydrophobicContact CG-CD1 3.81Å; L255-I259 WeakPolarHBondContact O-CB 3.3Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.24Å; L255-I259 PolarHBondContact O-N 2.9Å; L256-I259 WeakPolarHBondContact O-CB 3.06Å; L256-I259 PolarHBondContact O-N 2.96Å; I259-Q261 PolarHBondContact O-N 3.42Å; I259-C262 WeakPolarHBondContact O-CB 3.07Å; I259-C262 PolarHBondContact O-N 3.04Å; I259-C262 VanDerWaalsContact O-N 3.12Å; I259-L263 HydrophobicContact CG2-CD1 3.78Å; I259-L263 HydrophobicContact CG2-CG 4.48Å; I259-L263 WeakPolarHBondContact O-CB 3.38Å; I259-L263 WeakPolarHBondContact O-CG 3.03Å; I259-L263 PolarHBondContact O-N 2.93Å
260D95.4Very high90.3Very high11 Ų1162.1 Ų62.16%0.05932%0.323CS..Hα-helixtrans-65.1-39.7-178.6-72.8-21.2000112.1R32 L256 V257 C262 L263 Q264 Y265R32-D260 IonicContact CZ-OD1 3.89Å; R32-D260 IonicContact CZ-OD2 3.72Å; R32-D260 VanDerWaalsContact NH1-CG 3.29Å; R32-D260 IonicContact NH1-OD1 3.42Å; R32-D260 PolarHBondContact NH1-OD1 2.9Å; R32-D260 VanDerWaalsContact NH1-OD1 3.13Å; R32-D260 IonicContact NH1-OD2 3.57Å; R32-D260 PolarHBondContact NH1-OD2 3.04Å; R32-D260 IonicContact NH2-OD1 3.7Å; R32-D260 PolarHBondContact NH2-OD1 3.12Å; R32-D260 IonicContact NH2-OD2 2.72Å; L256-D260 WeakPolarHBondContact O-CB 3.02Å; L256-D260 VanDerWaalsContact O-CG 3.26Å; L256-D260 PolarHBondContact O-N 2.66Å; V257-D260 PolarHBondContact O-N 3.12Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.8Å; D260-L263 CarbonylContact O-C 3.58Å; D260-L263 PolarHBondContact O-N 3.28Å; D260-Q264 WeakPolarHBondContact O-CA 3.25Å; D260-Q264 PolarHBondContact O-N 3Å; D260-Y265 HydrophobicContact CB-CD1 4.46Å; D260-Y265 PolarHBondContact O-N 3.27Å
261Q93.6Very high88.8Confident132 Ų13261.7 Ų61.762%0.61733%0.327SS*.Hα-helixtrans-60.7-42171.5-73.3173.23.500111.9V257 I259 L263 Q264V257-Q261 VanDerWaalsContact O-CG 3.27Å; V257-Q261 WeakPolarHBondContact O-CG 3.06Å; V257-Q261 PolarHBondContact O-N 3.25Å; I259-Q261 PolarHBondContact O-N 3.42Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; Q261-Q264 PolarHBondContact O-N 3.18Å
262C92.9Very high87.1Confident54 Ų5464.3 Ų64.337%0.36535%0.346SS..Hα-helixtrans-65.9-37.8178.9-169.90000112.3V136 A169 I171 Q258 I259 D260 Q264V136-C262 HydrophobicContact CG2-CB 4.38Å; A169-C262 WeakPolarHBondContact CB-SG 3.41Å; I171-C262 HydrophobicContact CD1-CB 4.16Å; Q258-C262 WeakPolarHBondContact O-CB 3.47Å; Q258-C262 PolarHBondContact O-N 2.96Å; I259-C262 WeakPolarHBondContact O-CB 3.07Å; I259-C262 PolarHBondContact O-N 3.04Å; I259-C262 VanDerWaalsContact O-N 3.12Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.8Å; C262-Q264 VanDerWaalsContact C-N 3.31Å
263L94.2Very high85.4Confident6 Ų668.2 Ų68.23%0.03137%0.367CS..Hα-helixtrans-79.7-12.1176.1-71172.2000113.6F4 Y102 R134 V136 I259 D260 Q261 Y265F4-L263 HydrophobicContact CB-CD1 4.37Å; F4-L263 HydrophobicContact CD1-CB 4Å; F4-L263 HydrophobicContact CD1-CD1 4.5Å; F4-L263 HydrophobicContact CE1-CB 4.45Å; Y102-L263 HydrophobicContact CE2-CD1 3.66Å; Y102-L263 WeakPolarHBondContact OH-CD1 3.33Å; R134-L263 HydrophobicContact CB-CD2 4.16Å; R134-L263 WeakPolarHBondContact O-CD2 3.26Å; V136-L263 HydrophobicContact CB-CD2 4.02Å; V136-L263 HydrophobicContact CB-CG 4.24Å; V136-L263 HydrophobicContact CG1-CD1 3.98Å; V136-L263 HydrophobicContact CG1-CD2 3.97Å; V136-L263 HydrophobicContact CG1-CG 3.92Å; I259-L263 HydrophobicContact CG2-CD1 3.78Å; I259-L263 HydrophobicContact CG2-CG 4.48Å; I259-L263 WeakPolarHBondContact O-CB 3.38Å; I259-L263 WeakPolarHBondContact O-CG 3.03Å; I259-L263 PolarHBondContact O-N 2.93Å; D260-L263 CarbonylContact O-C 3.58Å; D260-L263 PolarHBondContact O-N 3.28Å; Q261-L263 VanDerWaalsContact C-N 3.34Å; L263-Y265 PolarHBondContact O-N 3.31Å
264Q91.5Very high83.6Confident95 Ų9572.7 Ų72.744%0.44438%0.378SS..THydrogen-bonded Turntrans53.438.4-166.1-53.5-178.5-79.500112D260 Q261 C262 E267D260-Q264 WeakPolarHBondContact O-CA 3.25Å; D260-Q264 PolarHBondContact O-N 3Å; Q261-Q264 PolarHBondContact O-N 3.18Å; C262-Q264 VanDerWaalsContact C-N 3.31Å; Q264-E267 PolarHBondContact NE2-OE2 3.05Å; Q264-E267 PolarHBondContact O-N 3.46Å
265Y90.4Very high82.2Confident31 Ų3171.5 Ų71.512%0.12238%0.382CS..Hα-helixtrans-61.1-48.7-174.7177.7-97.4000111.7F4 R32 Y102 D260 L263 E267 E268 V269F4-Y265 HydrophobicContact CB-CD2 4.49Å; F4-Y265 HydrophobicContact CD1-CD2 4.16Å; F4-Y265 AromaticContact CD2-CD2 3.58Å; F4-Y265 HydrophobicContact CD2-CD2 3.58Å; F4-Y265 AromaticContact CD2-CE2 3.86Å; F4-Y265 HydrophobicContact CD2-CE2 3.86Å; F4-Y265 HydrophobicContact CE1-CD2 4.25Å; F4-Y265 AromaticContact CE2-CD2 3.69Å; F4-Y265 HydrophobicContact CE2-CD2 3.69Å; F4-Y265 HydrophobicContact CE2-CE2 4.07Å; F4-Y265 AromaticContact CG-CD2 3.81Å; F4-Y265 HydrophobicContact CG-CD2 3.81Å; F4-Y265 HydrophobicContact CG-CE2 4.41Å; F4-Y265 HydrophobicContact CZ-CD2 4.02Å; R32-Y265 VanDerWaalsContact CZ-CE1 3.42Å; R32-Y265 PolarHBondContact NE-OH 3.27Å; R32-Y265 VanDerWaalsContact NH2-CD1 3.28Å; R32-Y265 VanDerWaalsContact NH2-CD2 3.34Å; R32-Y265 VanDerWaalsContact NH2-CE2 3.28Å; R32-Y265 VanDerWaalsContact NH2-CG 3.34Å; Y102-Y265 AromaticContact CD2-CD2 3.69Å; Y102-Y265 HydrophobicContact CD2-CD2 3.69Å; Y102-Y265 AromaticContact CD2-CE2 3.54Å; Y102-Y265 HydrophobicContact CD2-CE2 3.54Å; Y102-Y265 AromaticContact CE2-CD2 3.85Å; Y102-Y265 HydrophobicContact CE2-CD2 3.85Å; Y102-Y265 HydrophobicContact CE2-CE2 4.12Å; Y102-Y265 HydrophobicContact CE2-CG 4.45Å; D260-Y265 HydrophobicContact CB-CD1 4.46Å; D260-Y265 PolarHBondContact O-N 3.27Å; L263-Y265 PolarHBondContact O-N 3.31Å; Y265-E267 PolarHBondContact O-N 2.91Å; Y265-E268 PolarHBondContact O-N 2.89Å; Y265-V269 HydrophobicContact CD1-CG2 4.01Å; Y265-V269 HydrophobicContact CD2-CG2 3.75Å; Y265-V269 HydrophobicContact CE1-CB 4.3Å; Y265-V269 HydrophobicContact CE1-CG1 4.45Å; Y265-V269 HydrophobicContact CE1-CG2 3.72Å; Y265-V269 HydrophobicContact CE2-CG2 3.46Å; Y265-V269 VanDerWaalsContact CE2-CG2 3.46Å; Y265-V269 HydrophobicContact CG-CG2 4.03Å; Y265-V269 VanDerWaalsContact CZ-CG2 3.44Å; Y265-V269 WeakPolarHBondContact O-CB 3.39Å; Y265-V269 WeakPolarHBondContact O-CG2 3.14Å; Y265-V269 PolarHBondContact O-N 2.68Å
266D85.6Confident80.7Confident112 Ų11278.3 Ų78.360%0.59941%0.412SS*.Hα-helixtrans-67.6-19.5-177.2-64.8-29.6000114.1
267E82.1Confident79.2Confident152 Ų15281.1 Ų81.171%0.7143%0.427SS*.Hα-helixtrans-80.1-24.6178.1-65.2-177.9178.700112.2Q264 Y265Q264-E267 PolarHBondContact NE2-OE2 3.05Å; Q264-E267 PolarHBondContact O-N 3.46Å; Y265-E267 PolarHBondContact O-N 2.91Å
268E78.7Confident78.1Confident76 Ų7681.2 Ų81.236%0.35543%0.425SS..Hα-helixtrans-102.2-32.1-175.3-65-79.2179.100112.1M1 P2 F4 R134 Y265 D270M1-E268 HydrophobicContact CE-CB 4.37Å; M1-E268 WeakPolarHBondContact CE-O 3.48Å; P2-E268 HydrophobicContact CG-CG 4.12Å; F4-E268 HydrophobicContact CZ-CB 3.96Å; F4-E268 HydrophobicContact CZ-CG 4.27Å; R134-E268 IonicContact CZ-OE1 2.64Å; R134-E268 IonicContact NH1-OE1 3.64Å; R134-E268 PolarHBondContact NH1-OE1 3.27Å; R134-E268 IonicContact NH2-OE1 3.23Å; R134-E268 PolarHBondContact NH2-OE1 3.13Å; Y265-E268 PolarHBondContact O-N 2.89Å; E268-D270 PolarHBondContact O-N 3.45Å
269V75Confident77.1Confident39 Ų3979.2 Ų79.224%0.23642%0.423CS..SBendtrans-79.5119.8-180178.80000108.7M1 F4 Y265M1-V269 VanDerWaalsContact CE-CA 3.49Å; M1-V269 HydrophobicContact CE-CB 3.96Å; M1-V269 HydrophobicContact CE-CG2 3.36Å; F4-V269 HydrophobicContact CE2-CG2 4.36Å; Y265-V269 HydrophobicContact CD1-CG2 4.01Å; Y265-V269 HydrophobicContact CD2-CG2 3.75Å; Y265-V269 HydrophobicContact CE1-CB 4.3Å; Y265-V269 HydrophobicContact CE1-CG1 4.45Å; Y265-V269 HydrophobicContact CE1-CG2 3.72Å; Y265-V269 HydrophobicContact CE2-CG2 3.46Å; Y265-V269 VanDerWaalsContact CE2-CG2 3.46Å; Y265-V269 HydrophobicContact CG-CG2 4.03Å; Y265-V269 VanDerWaalsContact CZ-CG2 3.44Å; Y265-V269 WeakPolarHBondContact O-CB 3.39Å; Y265-V269 WeakPolarHBondContact O-CG2 3.14Å; Y265-V269 PolarHBondContact O-N 2.68Å
270D68.4Low75.9Confident143 Ų14385.5 Ų85.577%0.76545%0.452SS*.PPolyproline II helixtrans-53.9132.4172-81.1-39000109.1E268 S272E268-D270 PolarHBondContact O-N 3.45Å; D270-S272 PolarHBondContact O-N 2.49Å
271P60.8Low74.7Confident117 Ų11790.4 Ų90.476%0.7648%0.475SS*.PPolyproline II helixtrans-55.1120.5178.816.4-26.2000108.9N273P271-N273 PolarHBondContact O-N 3.05Å
272S57.5Low73.8Confident78 Ų7890 Ų9055%0.54547%0.473SS..  trans-52.7113.9177.7167.60000108.4D270 R274 D277D270-S272 PolarHBondContact O-N 2.49Å; S272-R274 PolarHBondContact O-N 3.22Å; S272-R274 VanDerWaalsContact OG-CG 3.3Å; S272-R274 WeakPolarHBondContact OG-CG 3.32Å; S272-D277 PolarHBondContact OG-OD2 3.36Å
273N58.9Low72.9Confident85 Ų8592.5 Ų92.546%0.45548%0.482SS..  trans-8766178.5-155.7-1.9000107P271 A275 F276 D277P271-N273 PolarHBondContact O-N 3.05Å; N273-A275 PolarHBondContact O-N 3.42Å; N273-F276 HydrophobicContact CB-CB 4.22Å; N273-F276 HydrophobicContact CB-CD2 4.41Å; N273-F276 VanDerWaalsContact CG-CD2 3.4Å; N273-F276 WeakPolarHBondContact ND2-CD2 3.32Å; N273-F276 WeakPolarHBondContact O-CA 3.29Å; N273-F276 WeakPolarHBondContact O-CB 3.22Å; N273-F276 PolarHBondContact O-N 2.94Å; N273-D277 PolarHBondContact O-N 3.49Å
274R58.7Low71.9Confident144 Ų14495.8 Ų95.854%0.54350%0.502SS..Hα-helixtrans-45.7-37.4-172.2-69.3-178.8165.2-175.5-6113.2S272 D277 D278S272-R274 PolarHBondContact O-N 3.22Å; S272-R274 VanDerWaalsContact OG-CG 3.3Å; S272-R274 WeakPolarHBondContact OG-CG 3.32Å; R274-D277 PolarHBondContact O-N 3.17Å; R274-D278 WeakPolarHBondContact O-CB 3.49Å; R274-D278 PolarHBondContact O-N 3.35Å
275A64.7Low70.9Confident74 Ų7499.2 Ų99.261%0.61251%0.511SS*.Hα-helixtrans-65.3-36.8177.200000113.6N273 A279N273-A275 PolarHBondContact O-N 3.42Å; A275-A279 WeakPolarHBondContact O-CB 3.42Å; A275-A279 PolarHBondContact O-N 3.14Å
276F63.3Low70Confident143 Ų143103.4 Ų103.463%0.62753%0.53SS*.Hα-helixtrans-76.5-42.8173.3-82.2-98.7000111.5N273 A279 E280N273-F276 HydrophobicContact CB-CB 4.22Å; N273-F276 HydrophobicContact CB-CD2 4.41Å; N273-F276 VanDerWaalsContact CG-CD2 3.4Å; N273-F276 WeakPolarHBondContact ND2-CD2 3.32Å; N273-F276 WeakPolarHBondContact O-CA 3.29Å; N273-F276 WeakPolarHBondContact O-CB 3.22Å; N273-F276 PolarHBondContact O-N 2.94Å; F276-A279 CarbonylContact O-C 3.13Å; F276-A279 PolarHBondContact O-N 3.01Å; F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 3.43Å
277D65.4Low69.2Low65 Ų65103.9 Ų103.935%0.34853%0.528SS..Hα-helixtrans-62.7-45.2179.8-58.2-24.5000111.2S272 N273 R274 E280 Q281S272-D277 PolarHBondContact OG-OD2 3.36Å; N273-D277 PolarHBondContact O-N 3.49Å; R274-D277 PolarHBondContact O-N 3.17Å; D277-E280 PolarHBondContact O-N 3.23Å; D277-Q281 WeakPolarHBondContact O-CG 3.34Å; D277-Q281 PolarHBondContact O-N 3.09Å
278D72.3Confident68.7Low67 Ų67101.9 Ų101.936%0.35852%0.523SS..Hα-helixtrans-65.2-40.2175.4-71-24.5000110.5R31 R274 Q281 E282R31-D278 IonicContact NH1-OD1 3.23Å; R31-D278 PolarHBondContact NH1-OD1 3.16Å; R274-D278 WeakPolarHBondContact O-CB 3.49Å; R274-D278 PolarHBondContact O-N 3.35Å; D278-Q281 PolarHBondContact O-N 3.12Å; D278-E282 WeakPolarHBondContact O-CG 2.81Å; D278-E282 PolarHBondContact O-N 3.06Å
279A72.9Confident68.2Low39 Ų39104.4 Ų104.432%0.32254%0.535SS..Hα-helixtrans-68.1-35.7177.500000113.1A275 F276 E282 L283A275-A279 WeakPolarHBondContact O-CB 3.42Å; A275-A279 PolarHBondContact O-N 3.14Å; F276-A279 CarbonylContact O-C 3.13Å; F276-A279 PolarHBondContact O-N 3.01Å; A279-E282 PolarHBondContact O-N 3.36Å; A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 VanDerWaalsContact O-CG 3.25Å; A279-L283 WeakPolarHBondContact O-CG 3.37Å; A279-L283 PolarHBondContact O-N 2.92Å
280E71.5Confident67.6Low132 Ų132107 Ų10762%0.61755%0.547SS*.Hα-helixtrans-67.8-42.1175.8-169.7169.7-155.200110.5F276 D277 L283 V284F276-E280 WeakPolarHBondContact O-CB 3.33Å; F276-E280 PolarHBondContact O-N 3.43Å; D277-E280 PolarHBondContact O-N 3.23Å; E280-L283 PolarHBondContact O-N 3.1Å; E280-V284 WeakPolarHBondContact O-CG2 3.45Å; E280-V284 PolarHBondContact O-N 2.91Å
281Q70.5Confident67.4Low115 Ų115105 Ų10554%0.53754%0.536SS..Hα-helixtrans-64.3-40.7172.8-71.3-17924.600112.6D277 D278 V284 R285D277-Q281 WeakPolarHBondContact O-CG 3.34Å; D277-Q281 PolarHBondContact O-N 3.09Å; D278-Q281 PolarHBondContact O-N 3.12Å; Q281-V284 PolarHBondContact O-N 2.82Å; Q281-R285 WeakPolarHBondContact O-CG 3.28Å; Q281-R285 PolarHBondContact O-N 3.45Å
282E74.9Confident67.1Low123 Ų123101.5 Ų101.558%0.57552%0.522SS*.Hα-helixtrans-62.4-42.5172.8-79.5-172.7172.100111.3D278 A279 R285 F286D278-E282 WeakPolarHBondContact O-CG 2.81Å; D278-E282 PolarHBondContact O-N 3.06Å; A279-E282 PolarHBondContact O-N 3.36Å; E282-R285 PolarHBondContact O-N 3.15Å; E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 VanDerWaalsContact O-CD2 3.31Å; E282-F286 WeakPolarHBondContact O-CD2 3.37Å; E282-F286 PolarHBondContact O-N 3.07Å
283L74.3Confident67Low106 Ų106103.4 Ų103.456%0.55553%0.526SS*.Hα-helixtrans-62.7-41.7177-78.6169000112.7A279 E280 F286 Q287A279-L283 WeakPolarHBondContact O-CB 3.41Å; A279-L283 VanDerWaalsContact O-CG 3.25Å; A279-L283 WeakPolarHBondContact O-CG 3.37Å; A279-L283 PolarHBondContact O-N 2.92Å; E280-L283 PolarHBondContact O-N 3.1Å; L283-F286 PolarHBondContact O-N 3.2Å; L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 3.45Å
284V72.3Confident66.6Low75 Ų75105 Ų10546%0.45553%0.53SS..Hα-helixtrans-62.1-45.3175.1172.60000110.4E280 Q281 F286 Q287 D288E280-V284 WeakPolarHBondContact O-CG2 3.45Å; E280-V284 PolarHBondContact O-N 2.91Å; Q281-V284 PolarHBondContact O-N 2.82Å; V284-F286 PolarHBondContact O-N 2.82Å; V284-Q287 PolarHBondContact O-N 3.39Å; V284-D288 PolarHBondContact O-N 3.33Å
285R70.4Confident66.3Low167 Ų167103.4 Ų103.463%0.6353%0.533SS*.Hα-helixtrans-62.7-39.8175.1-71-178.1-176-170.53.9112.7Q281 E282 Q287 D288 E289Q281-R285 WeakPolarHBondContact O-CG 3.28Å; Q281-R285 PolarHBondContact O-N 3.45Å; E282-R285 PolarHBondContact O-N 3.15Å; R285-Q287 VanDerWaalsContact C-N 3.3Å; R285-Q287 PolarHBondContact O-N 3.08Å; R285-D288 PolarHBondContact O-N 2.89Å; R285-E289 WeakPolarHBondContact O-CB 3.32Å; R285-E289 WeakPolarHBondContact O-CG 3.46Å; R285-E289 PolarHBondContact O-N 3.48Å
286F71Confident65.7Low120 Ų120103 Ų10353%0.52653%0.529SS..Hα-helixtrans-64.8-33.1175-97.8-74.3000112.6E282 L283 V284 N290E282-F286 WeakPolarHBondContact O-CB 3.44Å; E282-F286 VanDerWaalsContact O-CD2 3.31Å; E282-F286 WeakPolarHBondContact O-CD2 3.37Å; E282-F286 PolarHBondContact O-N 3.07Å; L283-F286 PolarHBondContact O-N 3.2Å; V284-F286 PolarHBondContact O-N 2.82Å; F286-N290 WeakPolarHBondContact O-CB 3.39Å; F286-N290 PolarHBondContact O-N 2.87Å; F286-N290 VanDerWaalsContact O-N 3.13Å; F286-N290 PolarHBondContact O-ND2 3.04Å
287Q68.7Low65.3Low121 Ų12199.9 Ų99.957%0.56553%0.525SS*.Hα-helixtrans-70.5-46.8174.2-74.5175.25.300110.8L283 V284 R285 E289 N290 D291L283-Q287 WeakPolarHBondContact O-CG 3.5Å; L283-Q287 PolarHBondContact O-N 3.45Å; V284-Q287 PolarHBondContact O-N 3.39Å; R285-Q287 VanDerWaalsContact C-N 3.3Å; R285-Q287 PolarHBondContact O-N 3.08Å; Q287-E289 VanDerWaalsContact C-N 3.32Å; Q287-E289 PolarHBondContact O-N 3.24Å; Q287-N290 PolarHBondContact O-N 3.18Å; Q287-D291 WeakPolarHBondContact O-CB 3.32Å; Q287-D291 PolarHBondContact O-N 3.47Å
288D71.6Confident64.6Low111 Ų111105.6 Ų105.659%0.59454%0.542SS*.Hα-helixtrans-61.1-38.6177.2-70.4-26.3000112.5V284 R285 G292V284-D288 PolarHBondContact O-N 3.33Å; R285-D288 PolarHBondContact O-N 2.89Å; D288-G292 PolarHBondContact O-N 3.17Å
289E69Low63.5Low129 Ų129109.6 Ų109.660%0.60356%0.563SS**Hα-helixtrans-68.5-41.7175.8-76-179.3179.900112.4R285 Q287 G292 D293R285-E289 WeakPolarHBondContact O-CB 3.32Å; R285-E289 WeakPolarHBondContact O-CG 3.46Å; R285-E289 PolarHBondContact O-N 3.48Å; Q287-E289 VanDerWaalsContact C-N 3.32Å; Q287-E289 PolarHBondContact O-N 3.24Å; E289-G292 PolarHBondContact O-N 3.35Å; E289-D293 PolarHBondContact O-N 2.85Å
290N62.3Low62.4Low94 Ų94112.7 Ų112.750%0.50358%0.583SS.*Hα-helixtrans-72.7-36.3179.3-77.8-48.6000112.7F286 Q287 G292 D293 E294F286-N290 WeakPolarHBondContact O-CB 3.39Å; F286-N290 PolarHBondContact O-N 2.87Å; F286-N290 VanDerWaalsContact O-N 3.13Å; F286-N290 PolarHBondContact O-ND2 3.04Å; Q287-N290 PolarHBondContact O-N 3.18Å; N290-G292 VanDerWaalsContact C-N 3.27Å; N290-G292 PolarHBondContact O-N 3.13Å; N290-D293 PolarHBondContact O-N 3.23Å; N290-E294 PolarHBondContact O-N 3.03Å
291D63.4Low61Low100 Ų100113.2 Ų113.254%0.53562%0.623SS.*Hα-helixtrans-66.8-32.6175.3-75.7-10.8000111Q287 D295Q287-D291 WeakPolarHBondContact O-CB 3.32Å; Q287-D291 PolarHBondContact O-N 3.47Å; D291-D295 PolarHBondContact O-N 3.1Å
292G56.2Low60.5Low44 Ų44113.1 Ų113.145%0.45463%0.627SS.*Hα-helixtrans-65.9-34.5172.200000114.2D288 E289 N290 A296D288-G292 PolarHBondContact O-N 3.17Å; E289-G292 PolarHBondContact O-N 3.35Å; N290-G292 VanDerWaalsContact C-N 3.27Å; N290-G292 PolarHBondContact O-N 3.13Å; G292-A296 PolarHBondContact O-N 3.38Å
293D53.9Low59.7Low117 Ų117112.6 Ų112.663%0.62663%0.63SS**Hα-helixtrans-78.5-32177.1-88.3-15.5000112.6E289 N290 D295 A296 S297E289-D293 PolarHBondContact O-N 2.85Å; N290-D293 PolarHBondContact O-N 3.23Å; D293-D295 VanDerWaalsContact C-N 3.32Å; D293-D295 PolarHBondContact O-N 3.08Å; D293-A296 PolarHBondContact O-N 3.4Å; D293-S297 PolarHBondContact O-N 3.28Å
294E51.6Low58.9Low118 Ų118112.9 Ų112.955%0.55163%0.634SS**Hα-helixtrans-63.7-37.4173.7-76.7-157.4170.900112N290 S297N290-E294 PolarHBondContact O-N 3.03Å; E294-S297 PolarHBondContact O-N 3.09Å; E294-S297 PolarHBondContact O-OG 3.25Å
295D52.9Low58.1Low112 Ų112115.2 Ų115.260%0.59965%0.645SS**Hα-helixtrans-72.8-29176.9-91-12.4000113.2D291 D293 S297D291-D295 PolarHBondContact O-N 3.1Å; D293-D295 VanDerWaalsContact C-N 3.32Å; D293-D295 PolarHBondContact O-N 3.08Å; D295-S297 VanDerWaalsContact C-N 3.33Å
296A52.2Low57.4Low65 Ų65111.9 Ų111.954%0.53765%0.646SS.*Hα-helixtrans-68.9-32.4172.800000112.3G292 D293G292-A296 PolarHBondContact O-N 3.38Å; D293-A296 PolarHBondContact O-N 3.4Å
297S52.9Low56.5Low77 Ų77111.4 Ų111.454%0.53865%0.654SS.*Hα-helixtrans-74.7-22-179.378.40000114.2D293 E294 D295D293-S297 PolarHBondContact O-N 3.28Å; E294-S297 PolarHBondContact O-N 3.09Å; E294-S297 PolarHBondContact O-OG 3.25Å; D295-S297 VanDerWaalsContact C-N 3.33Å
298R51.7Low55.6Low185 Ų185110.7 Ų110.770%0.69866%0.66SS**THydrogen-bonded Turntrans-82.6-12.7-179.7-76.9-178175.6168.65.9114.5
299N50.1Low54.3Low152 Ų152110.7 Ų110.781%0.81367%0.665SS**THydrogen-bonded Turntrans-99.110.5-177.3-102.3-6.9000114.8
300S48Very low53.1Low104 Ų104109.2 Ų109.273%0.72767%0.67SS**  trans-115.922.8179.3680000115.6
301G42.4Very low52.3Low142 Ų142110.5 Ų110.5100%1.46469%0.686SS**  trans-113.80172.600000112.3

Retrieved 301 of 301 residues in 172.1 ms (Link to these results)

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