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Actin-1

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession P53470, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 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
1M33.6Very low74.3Confident239 Ų23988.8 Ų88.8100%1.17749%0.487SS*.  0113.70-80.6159.8148.600104.5E3M1-E3 PolarHBondContact O-N 2.94Å
2A38.8Very low76.3Confident96 Ų9681.8 Ų81.879%0.79345%0.448SS*.  trans-56.7126.9163.600000104.9E4A2-E4 PolarHBondContact O-N 3.4Å
3E46.5Very low77.8Confident178 Ų17876.3 Ų76.383%0.83242%0.418SS*.  trans-49.2117.6162.6-74172.3159.100104.7M1 D5M1-E3 PolarHBondContact O-N 2.94Å; E3-D5 PolarHBondContact O-N 2.78Å
4E53.3Low79.1Confident181 Ų18171.8 Ų71.885%0.84640%0.398SS*.  trans-57.3110171.6-80.3-179.5155.500104.8A2 V6A2-E4 PolarHBondContact O-N 3.4Å; E4-V6 PolarHBondContact O-N 3.08Å
5D72.7Confident80.2Confident157 Ų15767.5 Ų67.584%0.8438%0.375SS*.  trans-53.7107.1-178.5-86.5-35.7000107.5E3 A7E3-D5 PolarHBondContact O-N 2.78Å; D5-A7 PolarHBondContact O-N 2.92Å; D5-A7 VanDerWaalsContact O-N 3.11Å
6V86.6Confident81.2Confident79 Ų7964.1 Ų64.148%0.47936%0.36SS..PPolyproline II helixtrans-65.3118.7-176.5-179.70000107.5E4 A8 E101 H102E4-V6 PolarHBondContact O-N 3.08Å; V6-A8 PolarHBondContact O-N 3.45Å; V6-E101 WeakPolarHBondContact CG1-O 3.49Å; V6-H102 VanDerWaalsContact CG1-CE1 3.4Å; V6-H102 WeakPolarHBondContact CG1-CE1 3.41Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.28Å
7A93Very high82.1Confident40 Ų4064.6 Ų64.633%0.33136%0.36SS..PPolyproline II helixtrans-60.6130.5-174.900000110.8D5 F22 H102D5-A7 PolarHBondContact O-N 2.92Å; D5-A7 VanDerWaalsContact O-N 3.11Å; A7-F22 HydrophobicContact CB-CB 4.4Å; A7-F22 HydrophobicContact CB-CD1 4.05Å; A7-H102 PolarHBondContact O-ND1 3.07Å
8A97.4Very high83Confident7 Ų761 Ų616%0.05834%0.34CS..PPolyproline II helixtrans-64.6149.717500000111V6 F22 A23 P103 A348 W357V6-A8 PolarHBondContact O-N 3.45Å; A8-F22 CarbonylContact O-C 3.53Å; A8-F22 WeakPolarHBondContact O-CA 3.38Å; A8-A23 HydrophobicContact CB-CB 4.14Å; A8-A23 WeakPolarHBondContact O-CB 3.49Å; A8-A23 PolarHBondContact O-N 3.09Å; A8-P103 CarbonylContact C-O 3.6Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.31Å; A8-P103 HydrophobicContact CB-CB 4.02Å; A8-A348 HydrophobicContact CB-CB 4.17Å; A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.66Å
9L98.4Very high83.8Confident0 Ų059.2 Ų59.20%033%0.328CS..EExtended strand (participates in β ladder)trans-93.9140.5172.5-58.2176.6000109.8G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.49Å; L9-F22 HydrophobicContact CD2-CD1 3.56Å; L9-F22 HydrophobicContact CD2-CD2 4.33Å; L9-F22 HydrophobicContact CD2-CE1 3.56Å; L9-F22 HydrophobicContact CD2-CE2 4.31Å; L9-F22 HydrophobicContact CD2-CG 4Å; L9-F22 HydrophobicContact CD2-CZ 3.97Å; L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.7Å; L9-L95 HydrophobicContact CD1-CD1 4.2Å; L9-L95 HydrophobicContact CD2-CD1 4Å; L9-V97 HydrophobicContact CD1-CG2 3.74Å; L9-H102 HydrophobicContact CD1-CB 3.81Å; L9-H102 HydrophobicContact CG-CB 3.76Å; L9-P103 PolarHBondContact N-O 2.9Å; L9-V104 HydrophobicContact CB-CG2 4.36Å; L9-V104 HydrophobicContact CD1-CG2 4.46Å; L9-V104 CarbonylContact O-C 3.55Å; L9-V104 WeakPolarHBondContact O-CA 3.33Å; L9-L105 PolarHBondContact O-N 3.27Å
10V98.7Very high84.6Confident0 Ų056.3 Ų56.30%031%0.312CS..EExtended strand (participates in β ladder)trans-115.3121.3174.5179.20000108A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.46Å; V10-G21 PolarHBondContact N-O 3.36Å; V10-G21 PolarHBondContact O-N 3.16Å; V10-A23 HydrophobicContact CG2-CB 4.31Å; V10-L105 WeakPolarHBondContact CA-O 3.35Å; V10-L105 HydrophobicContact CG1-CD2 4.16Å; V10-L105 HydrophobicContact CG2-CB 4.41Å; V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 2.88Å; V10-A348 HydrophobicContact CG2-CB 4.26Å
11I98.7Very high85.2Confident0 Ų053.6 Ų53.60%030%0.297CS..EExtended strand (participates in β ladder)trans-121.1105.8-179.6-55.4178.9000109.3N13 A20 T90 F91 V104 L105 L106 T107I11-N13 WeakPolarHBondContact CG2-OD1 3.22Å; I11-A20 HydrophobicContact CG1-CB 4.33Å; I11-T90 HydrophobicContact CD1-CG2 4.02Å; I11-T90 HydrophobicContact CG1-CG2 4.23Å; I11-F91 HydrophobicContact CD1-CD1 4.41Å; I11-F91 HydrophobicContact CD1-CE1 3.54Å; I11-F91 HydrophobicContact CD1-CE2 4.45Å; I11-F91 HydrophobicContact CD1-CZ 3.56Å; I11-V104 HydrophobicContact CD1-CG1 3.85Å; I11-V104 HydrophobicContact CG1-CG1 4.24Å; I11-L105 PolarHBondContact N-O 3.22Å; I11-L106 HydrophobicContact CB-CD2 3.99Å; I11-L106 HydrophobicContact CD1-CD2 4.49Å; I11-L106 HydrophobicContact CG2-CD2 4.19Å; I11-T107 PolarHBondContact O-N 2.91Å; I11-T107 VanDerWaalsContact O-N 3.09Å
12D98.5Very high88.3Confident4 Ų443.2 Ų43.22%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-85.2107.7172.9177.231.9000111.1G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 3.16Å; D12-C18 WeakPolarHBondContact O-CA 3.36Å; D12-K19 HydrophobicContact CB-CB 4.14Å; D12-K19 PolarHBondContact N-O 2.81Å; D12-K19 PolarHBondContact O-N 2.83Å; D12-K19 VanDerWaalsContact O-N 3.07Å; D12-K19 IonicContact OD2-NZ 2.77Å; D12-K19 PolarHBondContact OD2-NZ 2.74Å; D12-T107 VanDerWaalsContact CA-OG1 3.26Å; D12-T107 WeakPolarHBondContact CA-OG1 3.44Å; D12-T107 HydrophobicContact CB-CG2 4.01Å; D12-T107 PolarHBondContact OD1-OG1 3.35Å; D12-Q138 PolarHBondContact OD1-NE2 3.37Å; D12-V340 HydrophobicContact CB-CG1 4.28Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.22Å; D12-W341 HydrophobicContact CB-CB 4.27Å
13N95.9Very high91.1Very high11 Ų1139.4 Ų39.46%0.05921%0.213CC..EExtended strand (participates in β ladder)trans-86.877.5-176.1-59.7-55.6000111.4I11 I72 M83 W87 L106 T107 Q138I11-N13 WeakPolarHBondContact CG2-OD1 3.22Å; N13-I72 HydrophobicContact CB-CD1 4.24Å; N13-M83 HydrophobicContact CB-CE 4.22Å; N13-M83 VanDerWaalsContact OD1-CE 3.23Å; N13-M83 WeakPolarHBondContact OD1-CE 3.37Å; N13-W87 PolarHBondContact OD1-NE1 3.19Å; N13-L106 VanDerWaalsContact ND2-CD2 3.34Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.3Å; N13-T107 PolarHBondContact N-OG1 2.87Å; N13-T107 PolarHBondContact ND2-O 2.9Å; N13-Q138 PolarHBondContact O-NE2 3.31Å
14G96Very high93.3Very high13 Ų1333.3 Ų33.313%0.13420%0.199CC..  trans-84.1149.2176.300000113.5D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.16Å; G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.81Å; G14-M17 WeakPolarHBondContact CA-O 3.35Å; G14-M17 PolarHBondContact N-O 3.32Å; G14-S34 VanDerWaalsContact O-CB 3.3Å; G14-S34 WeakPolarHBondContact O-CB 3.33Å; G14-S34 PolarHBondContact O-OG 2.94Å
15S95.7Very high95.4Very high8 Ų827.1 Ų27.16%0.05617%0.172CC..SBendtrans-64.7-28.7178.5-50.80000114.7I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.44Å; S15-G75 WeakPolarHBondContact OG-CA 3.39Å; S15-G75 PolarHBondContact OG-N 3.05Å; S15-R184 PolarHBondContact O-NH2 3.32Å; S15-R184 VanDerWaalsContact O-NH2 3.12Å
16G95.5Very high96.3Very high13 Ų1327 Ų2713%0.13417%0.171CC..SBendtrans-99.8-40176.700000112.8G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.28Å; G14-G16 PolarHBondContact O-N 2.81Å; G16-P33 WeakPolarHBondContact O-CA 3.47Å; G16-S34 PolarHBondContact O-N 2.86Å; G16-D158 WeakPolarHBondContact CA-OD2 3.49Å
17M96.9Very high96.8Very high72 Ų7225.7 Ų25.736%0.35517%0.168SC..EExtended strand (participates in β ladder)trans-138.7135.2-173.5-57.1-63.6-70.200110.8G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.35Å; G14-M17 PolarHBondContact N-O 3.32Å; M17-V31 HydrophobicContact CE-CG1 3.73Å; M17-F32 CarbonylContact C-O 3.51Å; M17-F32 WeakPolarHBondContact CA-O 3.3Å; M17-F32 VanDerWaalsContact CE-C 3.44Å; M17-P33 HydrophobicContact CE-CG 4.29Å; M17-P33 HydrophobicContact SD-CB 4.24Å; M17-P33 HydrophobicContact SD-CG 4.07Å
18C98.1Very high97Very high0 Ų024.6 Ų24.60%016%0.158CC..EExtended strand (participates in β ladder)trans-90.3140.7165.7-1750000108.7D12 V31 F32 S34D12-C18 WeakPolarHBondContact O-CA 3.36Å; C18-V31 WeakPolarHBondContact O-CA 3.43Å; C18-F32 HydrophobicContact CB-CD1 4.42Å; C18-F32 HydrophobicContact CB-CD2 4.38Å; C18-F32 HydrophobicContact CB-CE1 3.87Å; C18-F32 HydrophobicContact CB-CE2 3.84Å; C18-F32 HydrophobicContact CB-CZ 3.55Å; C18-F32 PolarHBondContact N-O 3.18Å; C18-F32 PolarHBondContact O-N 2.97Å; C18-S34 PolarHBondContact N-OG 3.3Å
19K98.6Very high97Very high27 Ų2731.4 Ų31.412%0.11718%0.182CC..EExtended strand (participates in β ladder)trans-128.4130.4175.1-42.9176.5-167.767.80108.8D12 P28 A30 V31 K337 Y338 W341D12-K19 HydrophobicContact CB-CB 4.14Å; D12-K19 PolarHBondContact N-O 2.81Å; D12-K19 PolarHBondContact O-N 2.83Å; D12-K19 VanDerWaalsContact O-N 3.07Å; D12-K19 IonicContact OD2-NZ 2.77Å; D12-K19 PolarHBondContact OD2-NZ 2.74Å; K19-P28 HydrophobicContact CB-CB 4.06Å; K19-P28 HydrophobicContact CB-CG 4.35Å; K19-A30 CarbonylContact C-O 3.54Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.17Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; K19-K337 WeakPolarHBondContact CE-O 3.45Å; K19-Y338 HydrophobicContact CD-CD1 3.77Å; K19-Y338 HydrophobicContact CD-CE1 4.31Å; K19-W341 HydrophobicContact CB-CB 4.45Å; K19-W341 HydrophobicContact CB-CG 4.43Å
20A98.7Very high97Very high0 Ų031.6 Ų31.60%018%0.184CC..EExtended strand (participates in β ladder)trans-141.2151.2-175.200000112.1V10 I11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.26Å; V10-A20 WeakPolarHBondContact O-CA 3.46Å; I11-A20 HydrophobicContact CG1-CB 4.33Å; A20-P28 CarbonylContact O-C 3.17Å; A20-R29 PolarHBondContact O-N 2.85Å; A20-A30 PolarHBondContact N-O 3.27Å; A20-A30 PolarHBondContact O-N 2.98Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; A20-L95 HydrophobicContact CB-CD1 4.04Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.27Å
21G98.5Very high97Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans176.1-171.9178.700000111.2L9 V10L9-G21 WeakPolarHBondContact CA-O 3.49Å; V10-G21 PolarHBondContact N-O 3.36Å; V10-G21 PolarHBondContact O-N 3.16Å
22F98Very high96.9Very high22 Ų2234 Ų3410%0.09620%0.198CC..EExtended strand (participates in β ladder)trans-95.8143.5-177.7-63.2-103.3000110A7 A8 L9 D25 R29 L95 V97 H102A7-F22 HydrophobicContact CB-CB 4.4Å; A7-F22 HydrophobicContact CB-CD1 4.05Å; A8-F22 CarbonylContact O-C 3.53Å; A8-F22 WeakPolarHBondContact O-CA 3.38Å; L9-F22 HydrophobicContact CD2-CD1 3.56Å; L9-F22 HydrophobicContact CD2-CD2 4.33Å; L9-F22 HydrophobicContact CD2-CE1 3.56Å; L9-F22 HydrophobicContact CD2-CE2 4.31Å; L9-F22 HydrophobicContact CD2-CG 4Å; L9-F22 HydrophobicContact CD2-CZ 3.97Å; F22-D25 WeakPolarHBondContact O-CB 3.32Å; F22-D25 PolarHBondContact O-N 2.73Å; F22-R29 HydrophobicContact CD2-CG 4.32Å; F22-R29 VanDerWaalsContact CE2-CZ 3.41Å; F22-L95 HydrophobicContact CE2-CD2 4.38Å; F22-V97 HydrophobicContact CE1-CG1 4.15Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F22-H102 AromaticContact CE1-CE1 3.8Å
23A96.8Very high96.9Very high15 Ų1534.6 Ų34.612%0.12420%0.203CC..THydrogen-bonded Turntrans-60.7137.7171.100000110.2A8 V10 A348A8-A23 HydrophobicContact CB-CB 4.14Å; A8-A23 WeakPolarHBondContact O-CB 3.49Å; A8-A23 PolarHBondContact O-N 3.09Å; V10-A23 HydrophobicContact CG2-CB 4.31Å; A23-A348 HydrophobicContact CB-CB 3.63Å
24G94.2Very high97Very high51 Ų5134.1 Ų34.153%0.52620%0.2SC..THydrogen-bonded Turntrans91.2-15.2-173.400000114.7S345G24-S345 PolarHBondContact N-OG 2.88Å
25D95.8Very high97.1Very high51 Ų5133.6 Ų33.627%0.27319%0.194SC..  trans-74.6146.8170.6-71.8-11.3000110.1F22 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.32Å; F22-D25 PolarHBondContact O-N 2.73Å; D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3.47Å; D25-R29 IonicContact OD1-NH2 3.64Å; D25-R29 IonicContact OD2-CZ 3.61Å; D25-R29 IonicContact OD2-NE 3.54Å; D25-R29 PolarHBondContact OD2-NE 3.29Å; D25-R29 IonicContact OD2-NH2 2.73Å; D25-R29 PolarHBondContact OD2-NH2 3.42Å; D25-R29 VanDerWaalsContact OD2-NH2 3.07Å; D25-W341 HydrophobicContact CB-CH2 3.88Å; D25-W341 WeakPolarHBondContact O-CH2 3.32Å; D25-W341 WeakPolarHBondContact O-CZ3 3.48Å; D25-S345 PolarHBondContact N-OG 3.33Å; D25-S345 PolarHBondContact O-OG 2.98Å
26D93.2Very high97.2Very high153 Ų15333.2 Ų33.282%0.81819%0.192SC*.SBendtrans-75.6-17.6-179.1-67.5-41000113.8
27A95.6Very high97.2Very high52 Ų5232.6 Ų32.643%0.4319%0.185SC..SBendtrans-150.4153.6-177.600000111D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.32Å; D25-A27 PolarHBondContact O-N 3.47Å; A27-R29 PolarHBondContact O-N 2.88Å; A27-W341 VanDerWaalsContact C-CH2 3.43Å; A27-W341 VanDerWaalsContact O-CH2 3.26Å; A27-W341 WeakPolarHBondContact O-CH2 3.47Å; A27-W341 WeakPolarHBondContact O-CZ3 3.31Å
28P97.8Very high97.1Very high18 Ų1833 Ų3312%0.11718%0.183CC..  trans-61.2138.917625.7-33.9000110.6K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.06Å; K19-P28 HydrophobicContact CB-CG 4.35Å; A20-P28 CarbonylContact O-C 3.17Å; P28-A30 VanDerWaalsContact C-N 3.32Å; P28-V31 HydrophobicContact CB-CG2 4.04Å; P28-V31 HydrophobicContact CG-CG2 3.59Å; P28-Y338 HydrophobicContact CG-CD1 4.18Å; P28-Y338 HydrophobicContact CG-CE1 4.43Å; P28-Y338 HydrophobicContact CG-CG 4.38Å; P28-W341 HydrophobicContact CB-CD2 3.74Å; P28-W341 HydrophobicContact CB-CE3 4.2Å; P28-W341 HydrophobicContact CB-CG 3.99Å; P28-W341 HydrophobicContact CB-CZ2 4.47Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.41Å
29R97.7Very high96.8Very high149 Ų14935.1 Ų35.156%0.56220%0.196SC*.SBendtrans-72.3-28.4174.6-66.4-159.8-176.6175.74.9112.6A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 2.85Å; F22-R29 HydrophobicContact CD2-CG 4.32Å; F22-R29 VanDerWaalsContact CE2-CZ 3.41Å; D25-R29 IonicContact OD1-NH2 3.64Å; D25-R29 IonicContact OD2-CZ 3.61Å; D25-R29 IonicContact OD2-NE 3.54Å; D25-R29 PolarHBondContact OD2-NE 3.29Å; D25-R29 IonicContact OD2-NH2 2.73Å; D25-R29 PolarHBondContact OD2-NH2 3.42Å; D25-R29 VanDerWaalsContact OD2-NH2 3.07Å; A27-R29 PolarHBondContact O-N 2.88Å; R29-L95 HydrophobicContact CB-CD2 4.01Å
30A98.2Very high96.4Very high5 Ų539.6 Ų39.64%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-134.5137.7-179.200000111K19 A20 P28 F32 E94K19-A30 CarbonylContact C-O 3.54Å; K19-A30 VanDerWaalsContact CA-O 3.31Å; K19-A30 WeakPolarHBondContact CA-O 3.17Å; A20-A30 PolarHBondContact N-O 3.27Å; A20-A30 PolarHBondContact O-N 2.98Å; P28-A30 VanDerWaalsContact C-N 3.32Å; A30-F32 HydrophobicContact CB-CD1 4.42Å; A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.21Å
31V98.1Very high95.5Very high50 Ų5045.7 Ų45.730%0.30324%0.241SC..EExtended strand (participates in β ladder)trans-140.9110173.3179.20000107.4M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.73Å; C18-V31 WeakPolarHBondContact O-CA 3.43Å; K19-V31 HydrophobicContact CB-CG2 4.25Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.14Å; P28-V31 HydrophobicContact CB-CG2 4.04Å; P28-V31 HydrophobicContact CG-CG2 3.59Å; V31-Y338 HydrophobicContact CG2-CE1 4.09Å
32F98.2Very high94.2Very high0 Ų055.5 Ų55.50%029%0.287CS..EExtended strand (participates in β ladder)trans-141.3156.9-173.764.8-88.8000111.7M17 C18 A30 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.51Å; M17-F32 WeakPolarHBondContact CA-O 3.3Å; M17-F32 VanDerWaalsContact CE-C 3.44Å; C18-F32 HydrophobicContact CB-CD1 4.42Å; C18-F32 HydrophobicContact CB-CD2 4.38Å; C18-F32 HydrophobicContact CB-CE1 3.87Å; C18-F32 HydrophobicContact CB-CE2 3.84Å; C18-F32 HydrophobicContact CB-CZ 3.55Å; C18-F32 PolarHBondContact N-O 3.18Å; C18-F32 PolarHBondContact O-N 2.97Å; A30-F32 HydrophobicContact CB-CD1 4.42Å; F32-V55 HydrophobicContact CE2-CG1 4.31Å; F32-I86 HydrophobicContact CE2-CG2 4.1Å; F32-I86 HydrophobicContact CZ-CG2 4.17Å; F32-H89 AromaticContact CE2-CD2 3.79Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.44Å; F32-E94 HydrophobicContact CD1-CG 3.75Å; F32-E94 HydrophobicContact CE1-CB 4.5Å; F32-E94 HydrophobicContact CE1-CG 3.79Å; F32-E94 HydrophobicContact CG-CG 4.47Å
33P97.7Very high92.7Very high17 Ų1756.4 Ų56.411%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-61.1134.8-179.8-2635.6000113.5G16 M17 I35 G56 D57G16-P33 WeakPolarHBondContact O-CA 3.47Å; M17-P33 HydrophobicContact CE-CG 4.29Å; M17-P33 HydrophobicContact SD-CB 4.24Å; M17-P33 HydrophobicContact SD-CG 4.07Å; P33-I35 HydrophobicContact CB-CD1 3.94Å; P33-I35 HydrophobicContact CB-CG1 3.93Å; P33-I35 HydrophobicContact CB-CG2 4.38Å; P33-I35 PolarHBondContact O-N 2.9Å; P33-G56 WeakPolarHBondContact O-CA 3.47Å; P33-D57 WeakPolarHBondContact CD-OD1 3.39Å
34S97.7Very high91Very high1 Ų159.6 Ų59.61%0.00732%0.32CS..  trans-7863.2177.5-61.40000111.7G14 G16 C18 P71G14-S34 VanDerWaalsContact O-CB 3.3Å; G14-S34 WeakPolarHBondContact O-CB 3.33Å; G14-S34 PolarHBondContact O-OG 2.94Å; G16-S34 PolarHBondContact O-N 2.86Å; C18-S34 PolarHBondContact N-OG 3.3Å; S34-P71 WeakPolarHBondContact O-CD 3.09Å
35I97.4Very high89.4Confident2 Ų257.5 Ų57.51%0.0130%0.296CS..  trans-133.3149.6-17465.9-179000112.6P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.94Å; P33-I35 HydrophobicContact CB-CG1 3.93Å; P33-I35 HydrophobicContact CB-CG2 4.38Å; P33-I35 PolarHBondContact O-N 2.9Å; I35-V55 WeakPolarHBondContact O-CA 3.35Å; I35-G56 PolarHBondContact O-N 2.64Å; I35-G56 VanDerWaalsContact O-N 3.16Å; I35-A59 HydrophobicContact CD1-CB 4.03Å; I35-A59 HydrophobicContact CG1-CB 4Å; I35-Q60 HydrophobicContact CD1-CB 4.01Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.25Å; I35-L68 HydrophobicContact CD1-CD1 4.19Å; I35-K69 WeakPolarHBondContact CA-O 3.32Å; I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.24Å; I35-Y70 HydrophobicContact CG2-CG 4.23Å
36V98.2Very high87.7Confident0 Ų060.9 Ų60.90%032%0.319CS..EExtended strand (participates in β ladder)trans-122.1126170.1-176.90000109.1Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.46Å; V36-Y54 WeakPolarHBondContact CA-O 3.2Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V36-K69 PolarHBondContact N-O 3.19Å; V36-K69 PolarHBondContact O-N 3.18Å; V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; V36-K85 HydrophobicContact CG1-CD 4.09Å; V36-K85 HydrophobicContact CG2-CB 4.43Å; V36-I86 HydrophobicContact CG2-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CG1 4.05Å
37G96.6Very high86.3Confident0 Ų057.5 Ų57.50%032%0.32CS..EExtended strand (participates in β ladder)trans-108.9135.6178.100000112.4S53 Y54 T67G37-S53 CarbonylContact O-C 3.6Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3Å; G37-Y54 PolarHBondContact N-O 3.13Å; G37-Y54 PolarHBondContact O-N 3.25Å; G37-T67 WeakPolarHBondContact CA-O 3.49Å
38R94.9Very high84.7Confident80 Ų8061.7 Ų61.730%0.30233%0.332SS..EExtended strand (participates in β ladder)trans-121.9140.5174.7-67.7178.1175.583-10.3111.2R40 L66 T67 D82R38-R40 PolarHBondContact O-N 2.56Å; R38-L66 CarbonylContact O-C 3.51Å; R38-L66 WeakPolarHBondContact O-CA 3.32Å; R38-T67 PolarHBondContact N-O 3.43Å; R38-T67 PolarHBondContact O-N 3.05Å; R38-D82 IonicContact CZ-OD1 2.71Å; R38-D82 VanDerWaalsContact CZ-OD1 3.28Å; R38-D82 IonicContact CZ-OD2 3.28Å; R38-D82 IonicContact NH1-OD1 3.68Å; R38-D82 PolarHBondContact NH1-OD1 3Å; R38-D82 VanDerWaalsContact NH1-OD1 3.1Å; R38-D82 IonicContact NH1-OD2 3.27Å; R38-D82 PolarHBondContact NH1-OD2 2.72Å; R38-D82 IonicContact NH2-OD1 3.61Å; R38-D82 PolarHBondContact NH2-OD1 3Å; R38-D82 IonicContact NH2-OD2 2.87Å
39P92Very high83.1Confident44 Ų4463.3 Ų63.329%0.28635%0.352SS..EExtended strand (participates in β ladder)trans-56.2132.9-179.8-25.234.7000112.5M45 D52 Y54 L66P39-M45 HydrophobicContact CB-CE 4.35Å; P39-M45 HydrophobicContact CB-SD 4.3Å; P39-M45 HydrophobicContact CG-CE 3.98Å; P39-M45 HydrophobicContact CG-SD 3.74Å; P39-D52 WeakPolarHBondContact CD-O 3.38Å; P39-Y54 HydrophobicContact CG-CE2 4.18Å; P39-L66 HydrophobicContact CB-CD2 4.41Å; P39-L66 HydrophobicContact CG-CD2 4.15Å
40R88.2Confident81.8Confident121 Ų12162.3 Ų62.346%0.45735%0.354SS..SBendtrans-69.6-33178.4-72.7-179.6-171.6-173.67113.3R38 I65 L66 T67R38-R40 PolarHBondContact O-N 2.56Å; R40-I65 PolarHBondContact N-O 2.87Å; R40-L66 PolarHBondContact NE-O 3.2Å; R40-L66 PolarHBondContact NH2-O 3.15Å; R40-T67 WeakPolarHBondContact CG-OG1 3.29Å
41H81.6Confident81.2Confident129 Ų12966.6 Ų66.660%0.59737%0.371SS*.SBendtrans-136.4134-177.7-51.387.2000109G43 V44H41-G43 PolarHBondContact O-N 2.89Å; H41-V44 HydrophobicContact CB-CG2 3.73Å
42Q70.3Confident80.7Confident206 Ų20671.3 Ų71.396%0.96340%0.395SS*.THydrogen-bonded Turntrans-64.4130.7172.2-70.1179.9-12.400109.1
43G66.8Low80.5Confident41 Ų4172.7 Ų72.742%0.42341%0.405SS..THydrogen-bonded Turntrans99.1-11.6176.900000116.9H41 M45 V46H41-G43 PolarHBondContact O-N 2.89Å; G43-M45 PolarHBondContact O-N 2.84Å; G43-M45 VanDerWaalsContact O-N 3.1Å; G43-V46 VanDerWaalsContact O-CG2 3.28Å; G43-V46 WeakPolarHBondContact O-CG2 3.29Å; G43-V46 PolarHBondContact O-N 3.05Å
44V60.7Low80.4Confident82 Ų8272.1 Ų72.150%0.49740%0.4SS..THydrogen-bonded Turntrans-66.7-15176.6-177.30000112.2H41 I65H41-V44 HydrophobicContact CB-CG2 3.73Å; V44-I65 HydrophobicContact CG1-CG2 4.21Å
45M61.4Low80.5Confident6 Ų672.7 Ų72.73%0.0340%0.403CS..THydrogen-bonded Turntrans-106.920.2-176.8-65.1-178.2167.700114.1P39 G43 G47 M48 Q50 Y54 K62 I65 L66P39-M45 HydrophobicContact CB-CE 4.35Å; P39-M45 HydrophobicContact CB-SD 4.3Å; P39-M45 HydrophobicContact CG-CE 3.98Å; P39-M45 HydrophobicContact CG-SD 3.74Å; G43-M45 PolarHBondContact O-N 2.84Å; G43-M45 VanDerWaalsContact O-N 3.1Å; M45-G47 PolarHBondContact O-N 3.42Å; M45-M48 PolarHBondContact O-N 3.36Å; M45-M48 VanDerWaalsContact O-N 3.11Å; M45-Q50 HydrophobicContact CB-CG 3.98Å; M45-Y54 HydrophobicContact CE-CD2 4.35Å; M45-Y54 HydrophobicContact CE-CE2 3.51Å; M45-Y54 HydrophobicContact SD-CE2 3.69Å; M45-Y54 PolarHBondContact SD-OH 3.15Å; M45-K62 HydrophobicContact CE-CD 4.42Å; M45-I65 HydrophobicContact CE-CD1 3.64Å; M45-I65 HydrophobicContact CE-CG1 4.21Å; M45-L66 HydrophobicContact CE-CD2 3.55Å
46V58.6Low80.5Confident123 Ų12372.6 Ų72.675%0.74540%0.403SS*.THydrogen-bonded Turntrans-56.8114.6174.2173.20000108.9G43G43-V46 VanDerWaalsContact O-CG2 3.28Å; G43-V46 WeakPolarHBondContact O-CG2 3.29Å; G43-V46 PolarHBondContact O-N 3.05Å
47G64.4Low80.4Confident81 Ų8176.7 Ų76.784%0.83543%0.425SS*.THydrogen-bonded Turntrans100-11.3179.700000116.7M45M45-G47 PolarHBondContact O-N 3.42Å
48M62.7Low80.3Confident141 Ų14179.3 Ų79.370%0.69544%0.437SS*.SBendtrans-98.95.2-177.7-64.2-168.2101.100114.9M45M45-M48 PolarHBondContact O-N 3.36Å; M45-M48 VanDerWaalsContact O-N 3.11Å
49G64.4Low80.3Confident51 Ų5175.5 Ų75.553%0.52642%0.423SS..  trans75.897.3-169.100000110.1K51 Y54G49-K51 PolarHBondContact O-N 3.14Å; G49-Y54 PolarHBondContact O-OH 3.14Å
50Q70.7Confident80.4Confident128 Ų12875.5 Ų75.560%0.59842%0.419SS*.  trans-71.9101-178.7-78-179-16.300110.2M45M45-Q50 HydrophobicContact CB-CG 3.98Å
51K84.1Confident80.6Confident96 Ų9674.2 Ų74.242%0.41743%0.428SS..  trans-91.6145161.2-59.6-179.3-173.1171.70109.7G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 3.14Å; K51-S53 VanDerWaalsContact C-N 3.25Å; K51-S53 PolarHBondContact O-N 3.11Å; K51-Y54 HydrophobicContact CB-CE1 4.16Å; K51-Y54 HydrophobicContact CB-CE2 4.24Å; K51-Y54 HydrophobicContact CD-CD1 4.39Å; K51-Y54 HydrophobicContact CD-CE1 4.08Å; K51-Y54 HydrophobicContact CG-CE1 4.4Å; K51-Y54 PolarHBondContact N-OH 2.88Å; K51-E58 IonicContact NZ-OE1 3.44Å; K51-E58 IonicContact NZ-OE2 2.87Å; K51-E58 PolarHBondContact NZ-OE2 3.38Å
52D88.5Confident81.1Confident149 Ų14970.2 Ų70.280%0.79741%0.409SS*.SBendtrans-69.5-27174.8-64.5-32.2000112.5P39P39-D52 WeakPolarHBondContact CD-O 3.38Å
53S94.2Very high82.1Confident29 Ų2961.2 Ų61.220%0.20337%0.367CS..  trans-147.8152.2178.3570000112.5G37 K51 K85G37-S53 CarbonylContact O-C 3.6Å; G37-S53 VanDerWaalsContact O-CA 3.31Å; G37-S53 WeakPolarHBondContact O-CA 3Å; K51-S53 VanDerWaalsContact C-N 3.25Å; K51-S53 PolarHBondContact O-N 3.11Å; S53-K85 WeakPolarHBondContact OG-CD 3.33Å
54Y96Very high83.1Confident5 Ų562.4 Ų62.42%0.0238%0.379CS..EExtended strand (participates in β ladder)trans-122.2150.2176.1-60.8-90.1000108.4V36 G37 P39 M45 G49 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.46Å; V36-Y54 WeakPolarHBondContact CA-O 3.2Å; G37-Y54 PolarHBondContact N-O 3.13Å; G37-Y54 PolarHBondContact O-N 3.25Å; P39-Y54 HydrophobicContact CG-CE2 4.18Å; M45-Y54 HydrophobicContact CE-CD2 4.35Å; M45-Y54 HydrophobicContact CE-CE2 3.51Å; M45-Y54 HydrophobicContact SD-CE2 3.69Å; M45-Y54 PolarHBondContact SD-OH 3.15Å; G49-Y54 PolarHBondContact O-OH 3.14Å; K51-Y54 HydrophobicContact CB-CE1 4.16Å; K51-Y54 HydrophobicContact CB-CE2 4.24Å; K51-Y54 HydrophobicContact CD-CD1 4.39Å; K51-Y54 HydrophobicContact CD-CE1 4.08Å; K51-Y54 HydrophobicContact CG-CE1 4.4Å; K51-Y54 PolarHBondContact N-OH 2.88Å; Y54-E58 VanDerWaalsContact CD1-CD 3.43Å; Y54-E58 HydrophobicContact CD1-CG 3.8Å; Y54-E58 VanDerWaalsContact CD1-OE1 3.23Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.33Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.29Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.35Å; Y54-K62 HydrophobicContact CD1-CD 4.07Å; Y54-K62 HydrophobicContact CE1-CD 3.99Å; Y54-L66 HydrophobicContact CD2-CD1 3.78Å; Y54-L66 HydrophobicContact CD2-CD2 3.77Å; Y54-L66 HydrophobicContact CD2-CG 4.47Å; Y54-L66 HydrophobicContact CE2-CD2 4.09Å; Y54-L66 HydrophobicContact CG-CD1 3.94Å
55V97.9Very high84.5Confident12 Ų1261.5 Ų61.57%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-129.7151.7-177.9-177.70000109.6F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.31Å; I35-V55 WeakPolarHBondContact O-CA 3.35Å; V36-V55 HydrophobicContact CG2-CG2 4.37Å; V55-E58 WeakPolarHBondContact O-CB 3.37Å; V55-E58 PolarHBondContact O-N 2.96Å; V55-A59 PolarHBondContact O-N 2.9Å; V55-K85 HydrophobicContact CG2-CB 4.19Å; V55-I86 HydrophobicContact CG1-CG1 3.94Å; V55-H89 HydrophobicContact CB-CB 3.9Å; V55-H89 HydrophobicContact CG1-CB 3.66Å; V55-H89 HydrophobicContact CG2-CB 4.25Å
56G97.5Very high86Confident0 Ų061.2 Ų61.20%037%0.369CS..Hα-helixtrans62.7-138.3168.800000113.9P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.47Å; I35-G56 PolarHBondContact O-N 2.64Å; I35-G56 VanDerWaalsContact O-N 3.16Å; G56-E58 PolarHBondContact O-N 3.3Å; G56-A59 WeakPolarHBondContact O-CB 3.42Å; G56-A59 PolarHBondContact O-N 3.48Å; G56-Q60 PolarHBondContact O-N 3.02Å
57D96.7Very high87.6Confident86 Ų8658.6 Ų58.646%0.4635%0.353SS..Hα-helixtrans-62.4-29.3-179.2-66.9-41.2000112.4P33 A59 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.39Å; D57-A59 VanDerWaalsContact C-N 3.35Å; D57-Q60 PolarHBondContact O-N 3.04Å; D57-S61 WeakPolarHBondContact O-CB 3.23Å; D57-S61 PolarHBondContact O-N 3.15Å; D57-S61 PolarHBondContact O-OG 3.09Å
58E94.9Very high89.1Confident55 Ų5556.1 Ų56.126%0.25732%0.321SS..Hα-helixtrans-65.5-39.8174.6-163.3-175.5176.900111.3K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 3.44Å; K51-E58 IonicContact NZ-OE2 2.87Å; K51-E58 PolarHBondContact NZ-OE2 3.38Å; Y54-E58 VanDerWaalsContact CD1-CD 3.43Å; Y54-E58 HydrophobicContact CD1-CG 3.8Å; Y54-E58 VanDerWaalsContact CD1-OE1 3.23Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.33Å; Y54-E58 VanDerWaalsContact CE1-OE1 3.29Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.35Å; V55-E58 WeakPolarHBondContact O-CB 3.37Å; V55-E58 PolarHBondContact O-N 2.96Å; G56-E58 PolarHBondContact O-N 3.3Å; E58-S61 PolarHBondContact O-OG 2.8Å; E58-S61 VanDerWaalsContact O-OG 3.07Å; E58-K62 WeakPolarHBondContact O-CG 3.5Å; E58-K62 IonicContact OE1-NZ 3.82Å; E58-K62 PolarHBondContact OE1-NZ 3.25Å
59A95.6Very high90.7Very high0 Ų054.5 Ų54.50%031%0.31CS..Hα-helixtrans-71-40.6173.600000111.5I35 V55 G56 D57 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 4.03Å; I35-A59 HydrophobicContact CG1-CB 4Å; V55-A59 PolarHBondContact O-N 2.9Å; G56-A59 WeakPolarHBondContact O-CB 3.42Å; G56-A59 PolarHBondContact O-N 3.48Å; D57-A59 VanDerWaalsContact C-N 3.35Å; A59-K62 CarbonylContact O-C 3.51Å; A59-K62 PolarHBondContact O-N 3.49Å; A59-R63 PolarHBondContact O-N 3.5Å; A59-L66 HydrophobicContact CB-CD1 4.36Å; A59-L68 HydrophobicContact CB-CD2 3.99Å
60Q94.1Very high92.2Very high44 Ų4454.8 Ų54.821%0.20630%0.296CS..Hα-helixtrans-61.7-48.2-178.6-17263.29.200112I35 G56 D57 K62 R63 E208I35-Q60 HydrophobicContact CD1-CB 4.01Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.25Å; G56-Q60 PolarHBondContact O-N 3.02Å; D57-Q60 PolarHBondContact O-N 3.04Å; Q60-K62 PolarHBondContact O-N 2.75Å; Q60-R63 VanDerWaalsContact O-CB 3.28Å; Q60-R63 WeakPolarHBondContact O-CB 3.48Å; Q60-R63 PolarHBondContact O-N 3.01Å; Q60-E208 VanDerWaalsContact NE2-CG 3.25Å; Q60-E208 PolarHBondContact NE2-OE1 2.88Å; Q60-E208 PolarHBondContact NE2-OE2 3.19Å
61S92.6Very high93.5Very high94 Ų9448.8 Ų48.866%0.65727%0.268SS*.Hα-helixtrans-62.5-24.5178.356.50000113.4D57 E58D57-S61 WeakPolarHBondContact O-CB 3.23Å; D57-S61 PolarHBondContact O-N 3.15Å; D57-S61 PolarHBondContact O-OG 3.09Å; E58-S61 PolarHBondContact O-OG 2.8Å; E58-S61 VanDerWaalsContact O-OG 3.07Å
62K91.5Very high94.2Very high45 Ų4544.3 Ų44.320%0.19625%0.248CC..THydrogen-bonded Turntrans-102.413.2179.7-62.9-176.7-179.2890113.4M45 Y54 E58 A59 Q60 G64 I65 L66M45-K62 HydrophobicContact CE-CD 4.42Å; Y54-K62 HydrophobicContact CD1-CD 4.07Å; Y54-K62 HydrophobicContact CE1-CD 3.99Å; E58-K62 WeakPolarHBondContact O-CG 3.5Å; E58-K62 IonicContact OE1-NZ 3.82Å; E58-K62 PolarHBondContact OE1-NZ 3.25Å; A59-K62 CarbonylContact O-C 3.51Å; A59-K62 PolarHBondContact O-N 3.49Å; Q60-K62 PolarHBondContact O-N 2.75Å; K62-G64 PolarHBondContact O-N 3.33Å; K62-I65 HydrophobicContact CB-CG1 4.22Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 2.99Å; K62-I65 PolarHBondContact O-N 3.01Å; K62-L66 HydrophobicContact CB-CD1 3.54Å; K62-L66 HydrophobicContact CB-CG 3.83Å; K62-L66 WeakPolarHBondContact O-CG 3.34Å; K62-L66 PolarHBondContact O-N 2.95Å; K62-L66 VanDerWaalsContact O-N 3.14Å
63R91.2Very high94.4Very high17 Ų1741.8 Ų41.86%0.06423%0.232CC..THydrogen-bonded Turntrans-49.3-35.2-176.3178.1176.2-68.8-115.1-1.2114.8A59 Q60 I65 L66 L68 Y70 T204 E208A59-R63 PolarHBondContact O-N 3.5Å; Q60-R63 VanDerWaalsContact O-CB 3.28Å; Q60-R63 WeakPolarHBondContact O-CB 3.48Å; Q60-R63 PolarHBondContact O-N 3.01Å; R63-I65 PolarHBondContact O-N 3.36Å; R63-L66 PolarHBondContact O-N 2.82Å; R63-L66 VanDerWaalsContact O-O 3.06Å; R63-L68 HydrophobicContact CB-CD1 3.83Å; R63-L68 HydrophobicContact CG-CD1 3.57Å; R63-L68 HydrophobicContact CG-CG 4.34Å; R63-Y70 PolarHBondContact NH2-OH 3.36Å; R63-T204 WeakPolarHBondContact CD-O 3.37Å; R63-T204 PolarHBondContact NH1-O 3.43Å; R63-T204 VanDerWaalsContact NH1-O 3.14Å; R63-E208 IonicContact CZ-OE1 3.04Å; R63-E208 VanDerWaalsContact CZ-OE1 3.29Å; R63-E208 IonicContact NH1-OE1 2.88Å; R63-E208 IonicContact NH2-OE1 3.12Å; R63-E208 PolarHBondContact NH2-OE1 2.93Å
64G87.7Confident94.4Very high66 Ų6643.8 Ų43.868%0.6824%0.238SC*.THydrogen-bonded Turntrans-62.3-28.6-179.900000114.4K62K62-G64 PolarHBondContact O-N 3.33Å
65I89.7Confident94.3Very high63 Ų6344.2 Ų44.232%0.32324%0.243SC..THydrogen-bonded Turntrans-112.6-4.8-178.361.2172.7000113.2R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 2.87Å; V44-I65 HydrophobicContact CG1-CG2 4.21Å; M45-I65 HydrophobicContact CE-CD1 3.64Å; M45-I65 HydrophobicContact CE-CG1 4.21Å; K62-I65 HydrophobicContact CB-CG1 4.22Å; K62-I65 VanDerWaalsContact O-CG1 3.28Å; K62-I65 WeakPolarHBondContact O-CG1 2.99Å; K62-I65 PolarHBondContact O-N 3.01Å; R63-I65 PolarHBondContact O-N 3.36Å
66L92.3Very high94.3Very high0 Ų044.9 Ų44.90%025%0.246CC..EExtended strand (participates in β ladder)trans-107.2148.5179.9-61.4-175.4000112R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.51Å; R38-L66 WeakPolarHBondContact O-CA 3.32Å; P39-L66 HydrophobicContact CB-CD2 4.41Å; P39-L66 HydrophobicContact CG-CD2 4.15Å; R40-L66 PolarHBondContact NE-O 3.2Å; R40-L66 PolarHBondContact NH2-O 3.15Å; M45-L66 HydrophobicContact CE-CD2 3.55Å; Y54-L66 HydrophobicContact CD2-CD1 3.78Å; Y54-L66 HydrophobicContact CD2-CD2 3.77Å; Y54-L66 HydrophobicContact CD2-CG 4.47Å; Y54-L66 HydrophobicContact CE2-CD2 4.09Å; Y54-L66 HydrophobicContact CG-CD1 3.94Å; A59-L66 HydrophobicContact CB-CD1 4.36Å; K62-L66 HydrophobicContact CB-CD1 3.54Å; K62-L66 HydrophobicContact CB-CG 3.83Å; K62-L66 WeakPolarHBondContact O-CG 3.34Å; K62-L66 PolarHBondContact O-N 2.95Å; K62-L66 VanDerWaalsContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 2.82Å; R63-L66 VanDerWaalsContact O-O 3.06Å; L66-L68 HydrophobicContact CB-CD2 3.88Å; L66-L68 HydrophobicContact CD1-CD2 4.33Å
67T93.6Very high94.3Very high68 Ų6845.6 Ų45.642%0.41725%0.251SS..EExtended strand (participates in β ladder)trans-89.3114.6158.6-620000107.2G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.49Å; R38-T67 PolarHBondContact N-O 3.43Å; R38-T67 PolarHBondContact O-N 3.05Å; R40-T67 WeakPolarHBondContact CG-OG1 3.29Å
68L95.1Very high94.3Very high29 Ų2945 Ų4515%0.15225%0.25CS..EExtended strand (participates in β ladder)trans-91.9137.8-179.9-57-177000110.6I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.19Å; A59-L68 HydrophobicContact CB-CD2 3.99Å; R63-L68 HydrophobicContact CB-CD1 3.83Å; R63-L68 HydrophobicContact CG-CD1 3.57Å; R63-L68 HydrophobicContact CG-CG 4.34Å; L66-L68 HydrophobicContact CB-CD2 3.88Å; L66-L68 HydrophobicContact CD1-CD2 4.33Å
69K96.7Very high94.5Very high107 Ų10744.7 Ų44.747%0.46525%0.25SS..EExtended strand (participates in β ladder)trans-125.5151.8173.9-69-167.1174.4-171.90110.3I35 V36I35-K69 WeakPolarHBondContact CA-O 3.32Å; V36-K69 PolarHBondContact N-O 3.19Å; V36-K69 PolarHBondContact O-N 3.18Å
70Y96.3Very high94.6Very high58 Ų5846.8 Ų46.823%0.22726%0.258CS..  trans-117.7105.9-179.1-61.3-98.6000107.2I35 R63 I72I35-Y70 HydrophobicContact CG2-CD1 3.46Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.46Å; I35-Y70 HydrophobicContact CG2-CE1 3.24Å; I35-Y70 HydrophobicContact CG2-CG 4.23Å; R63-Y70 PolarHBondContact NH2-OH 3.36Å; Y70-I72 PolarHBondContact O-N 3.09Å
71P97.7Very high94.8Very high1 Ų149.7 Ų49.71%0.00628%0.275CS..SBendtrans-74.7-7.9-175.927.3-32.1000113.9S34 V77 T78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.09Å; P71-V77 CarbonylContact O-C 3.49Å; P71-V77 WeakPolarHBondContact O-CA 3.5Å; P71-T78 PolarHBondContact O-N 2.96Å; P71-T78 PolarHBondContact O-OG1 3.21Å; P71-N79 HydrophobicContact CB-CB 4.1Å; P71-N79 WeakPolarHBondContact CB-O 3.43Å; P71-N79 PolarHBondContact O-N 3.02Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.21Å; P71-M83 HydrophobicContact CB-CB 4.48Å; P71-M83 HydrophobicContact CG-SD 4.39Å; P71-I86 HydrophobicContact CG-CD1 3.33Å; P71-I86 HydrophobicContact CG-CG1 4.4Å
72I97.5Very high95Very high2 Ų245.3 Ų45.31%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-119.8119178.2-52.8171.1000108.5N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.24Å; S15-I72 WeakPolarHBondContact OG-CG2 3.44Å; Y70-I72 PolarHBondContact O-N 3.09Å; I72-I76 CarbonylContact C-O 3.57Å; I72-I76 WeakPolarHBondContact CA-O 3.43Å; I72-V77 HydrophobicContact CG1-CG2 4.11Å; I72-M83 HydrophobicContact CD1-CE 3.99Å; I72-M83 HydrophobicContact CD1-SD 3.69Å; I72-M83 HydrophobicContact CG1-SD 3.81Å
73E94.5Very high95.4Very high96 Ų9643.2 Ų43.245%0.44924%0.235SC..EExtended strand (participates in β ladder)trans-119.5126.5178.5-66.5174.5-144.400109G75 I76 T78E73-G75 PolarHBondContact O-N 3.46Å; E73-G75 VanDerWaalsContact O-N 3.16Å; E73-I76 PolarHBondContact N-O 3.1Å; E73-I76 PolarHBondContact O-N 3.4Å; E73-T78 HydrophobicContact CB-CG2 3.96Å; E73-T78 HydrophobicContact CG-CG2 4.25Å; E73-T78 PolarHBondContact OE1-OG1 2.97Å
74H94Very high95.7Very high72 Ų7244.8 Ų44.833%0.33324%0.243SC..THydrogen-bonded Turntrans46.145.9-177.1-47.9109.6000113.9I76 G159 V160 R178H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 3.12Å; H74-G159 WeakPolarHBondContact CA-O 3.09Å; H74-G159 PolarHBondContact CD2-O 2.91Å; H74-V160 HydrophobicContact CB-CB 4.29Å; H74-R178 PolarHBondContact O-NH1 2.92Å; H74-R178 PolarHBondContact O-NH2 3.11Å
75G93.6Very high96.2Very high13 Ų1344.4 Ų44.413%0.13422%0.223CC..THydrogen-bonded Turntrans78.2-2.8-179.500000116.1S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.39Å; S15-G75 PolarHBondContact OG-N 3.05Å; E73-G75 PolarHBondContact O-N 3.46Å; E73-G75 VanDerWaalsContact O-N 3.16Å
76I96.6Very high96.6Very high26 Ų2641.4 Ų41.413%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-111.6131.5-175.7-54.9-55.3000110.3I72 E73 H74 T78 N116I72-I76 CarbonylContact C-O 3.57Å; I72-I76 WeakPolarHBondContact CA-O 3.43Å; E73-I76 PolarHBondContact N-O 3.1Å; E73-I76 PolarHBondContact O-N 3.4Å; H74-I76 VanDerWaalsContact C-N 3.28Å; H74-I76 PolarHBondContact O-N 3.12Å; I76-T78 PolarHBondContact O-N 3.39Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.34Å
77V97.9Very high96.9Very high15 Ų1541.4 Ų41.49%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-67.1119.6171.5-1780000109.2P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.49Å; P71-V77 WeakPolarHBondContact O-CA 3.5Å; I72-V77 HydrophobicContact CG1-CG2 4.11Å; V77-W80 HydrophobicContact CB-CH2 3.83Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.18Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.77Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 3.99Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.9Å; V77-W80 HydrophobicContact CG2-CH2 4Å; V77-W80 HydrophobicContact CG2-CZ2 4.5Å; V77-W80 HydrophobicContact CG2-CZ3 4.18Å; V77-M83 HydrophobicContact CG1-CB 3.89Å; V77-M83 HydrophobicContact CG1-CG 4.13Å; V77-M83 HydrophobicContact CG2-CG 4.17Å; V77-M83 HydrophobicContact CG2-SD 4.19Å; V77-N116 PolarHBondContact O-ND2 3.32Å; V77-N116 VanDerWaalsContact O-ND2 3.09Å
78T97.3Very high97.1Very high74 Ų7442.6 Ų42.645%0.45421%0.208SC..  trans-106.9-17.3176.858.10000112.5P71 E73 I76P71-T78 PolarHBondContact O-N 2.96Å; P71-T78 PolarHBondContact O-OG1 3.21Å; E73-T78 HydrophobicContact CB-CG2 3.96Å; E73-T78 HydrophobicContact CG-CG2 4.25Å; E73-T78 PolarHBondContact OE1-OG1 2.97Å; I76-T78 PolarHBondContact O-N 3.39Å
79N98.2Very high97.3Very high48 Ų4842 Ų4226%0.25721%0.205SC..  trans-135.2103177.8-171.2-44.8000111.6P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.1Å; P71-N79 WeakPolarHBondContact CB-O 3.43Å; P71-N79 PolarHBondContact O-N 3.02Å; N79-D81 PolarHBondContact OD1-N 3.43Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 WeakPolarHBondContact OD1-CB 3.47Å; N79-D82 PolarHBondContact OD1-N 2.97Å; N79-M83 WeakPolarHBondContact O-CB 3.44Å; N79-M83 PolarHBondContact O-N 2.94Å
80W98.2Very high97.4Very high44 Ų4436.9 Ų36.917%0.16718%0.182CC..Hα-helixtrans-70.7-38.4-177.7-69.4104.2000113.4V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.83Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.18Å; V77-W80 HydrophobicContact CG1-CD2 3.72Å; V77-W80 HydrophobicContact CG1-CE3 3.77Å; V77-W80 HydrophobicContact CG1-CG 4.32Å; V77-W80 HydrophobicContact CG1-CH2 3.99Å; V77-W80 HydrophobicContact CG1-CZ2 3.95Å; V77-W80 HydrophobicContact CG1-CZ3 3.9Å; V77-W80 HydrophobicContact CG2-CH2 4Å; V77-W80 HydrophobicContact CG2-CZ2 4.5Å; V77-W80 HydrophobicContact CG2-CZ3 4.18Å; W80-D82 PolarHBondContact O-N 3.44Å; W80-M83 HydrophobicContact CE3-CB 4.43Å; W80-M83 PolarHBondContact O-N 3.38Å; W80-M83 VanDerWaalsContact O-N 3.12Å; W80-E84 WeakPolarHBondContact O-CG 3.49Å; W80-E84 PolarHBondContact O-N 2.93Å; W80-W87 HydrophobicContact CE3-CH2 4.48Å; W80-W87 AromaticContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CZ3 4.3Å; W80-N116 HydrophobicContact CH2-CB 4.27Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.47Å; W80-K119 HydrophobicContact CE3-CB 4.44Å; W80-K119 HydrophobicContact CE3-CG 3.78Å; W80-K119 HydrophobicContact CG-CG 3.75Å; W80-K119 HydrophobicContact CH2-CB 4.08Å; W80-K119 HydrophobicContact CH2-CG 4.3Å; W80-K119 HydrophobicContact CZ2-CB 3.75Å; W80-K119 HydrophobicContact CZ2-CG 3.95Å; W80-K119 HydrophobicContact CZ3-CB 4.4Å; W80-K119 HydrophobicContact CZ3-CG 4.21Å; W80-M120 HydrophobicContact CH2-CG 3.47Å; W80-M120 VanDerWaalsContact CH2-CG 3.47Å; W80-M120 HydrophobicContact CZ3-CG 3.68Å; W80-I123 HydrophobicContact CB-CD1 4.46Å; W80-I123 HydrophobicContact CD2-CD1 4.23Å; W80-I123 HydrophobicContact CE3-CD1 3.48Å; W80-I123 VanDerWaalsContact CE3-CD1 3.48Å; W80-I123 HydrophobicContact CZ3-CD1 4.13Å
81D97.9Very high97.5Very high106 Ų10634.1 Ų34.157%0.56717%0.172SC*.Hα-helixtrans-61.1-34.3177.8-60.7-9.5000112.3N79 K85N79-D81 PolarHBondContact OD1-N 3.43Å; D81-K85 WeakPolarHBondContact O-CG 3.15Å; D81-K85 PolarHBondContact O-NZ 3.46Å
82D98.3Very high97.5Very high1 Ų138.5 Ų38.51%0.00519%0.189CC..Hα-helixtrans-83-31.3176.9-77.7-4.7000111.6V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.27Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; R38-D82 IonicContact CZ-OD1 2.71Å; R38-D82 VanDerWaalsContact CZ-OD1 3.28Å; R38-D82 IonicContact CZ-OD2 3.28Å; R38-D82 IonicContact NH1-OD1 3.68Å; R38-D82 PolarHBondContact NH1-OD1 3Å; R38-D82 VanDerWaalsContact NH1-OD1 3.1Å; R38-D82 IonicContact NH1-OD2 3.27Å; R38-D82 PolarHBondContact NH1-OD2 2.72Å; R38-D82 IonicContact NH2-OD1 3.61Å; R38-D82 PolarHBondContact NH2-OD1 3Å; R38-D82 IonicContact NH2-OD2 2.87Å; P71-D82 HydrophobicContact CB-CB 3.8Å; P71-D82 HydrophobicContact CG-CB 4.21Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 WeakPolarHBondContact OD1-CB 3.47Å; N79-D82 PolarHBondContact OD1-N 2.97Å; W80-D82 PolarHBondContact O-N 3.44Å; D82-K85 PolarHBondContact O-N 2.95Å; D82-K85 IonicContact OD1-NZ 3.22Å; D82-K85 PolarHBondContact OD1-NZ 3.33Å; D82-K85 VanDerWaalsContact OD1-NZ 3.09Å; D82-I86 PolarHBondContact O-N 3.07Å; D82-I86 VanDerWaalsContact O-N 3.07Å
83M98.3Very high97.5Very high1 Ų142 Ų421%0.00521%0.207CC..Hα-helixtrans-65.3-40.7171.4-163.466.4-151.700112.2N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.22Å; N13-M83 VanDerWaalsContact OD1-CE 3.23Å; N13-M83 WeakPolarHBondContact OD1-CE 3.37Å; P71-M83 HydrophobicContact CB-CB 4.48Å; P71-M83 HydrophobicContact CG-SD 4.39Å; I72-M83 HydrophobicContact CD1-CE 3.99Å; I72-M83 HydrophobicContact CD1-SD 3.69Å; I72-M83 HydrophobicContact CG1-SD 3.81Å; V77-M83 HydrophobicContact CG1-CB 3.89Å; V77-M83 HydrophobicContact CG1-CG 4.13Å; V77-M83 HydrophobicContact CG2-CG 4.17Å; V77-M83 HydrophobicContact CG2-SD 4.19Å; N79-M83 WeakPolarHBondContact O-CB 3.44Å; N79-M83 PolarHBondContact O-N 2.94Å; W80-M83 HydrophobicContact CE3-CB 4.43Å; W80-M83 PolarHBondContact O-N 3.38Å; W80-M83 VanDerWaalsContact O-N 3.12Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.04Å; M83-I86 HydrophobicContact CE-CG2 4.12Å; M83-I86 WeakPolarHBondContact O-CA 3.1Å; M83-I86 WeakPolarHBondContact O-CB 3.05Å; M83-I86 PolarHBondContact O-N 3.04Å; M83-I86 VanDerWaalsContact O-N 3.08Å; M83-I86 HydrophobicContact SD-CD1 4.46Å; M83-W87 HydrophobicContact CE-CD2 4.21Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.44Å; M83-W87 HydrophobicContact CE-CZ2 3.85Å; M83-W87 HydrophobicContact CG-CD2 4.13Å; M83-W87 HydrophobicContact CG-CE3 4.2Å; M83-W87 HydrophobicContact CG-CH2 3.99Å; M83-W87 HydrophobicContact CG-CZ2 3.83Å; M83-W87 HydrophobicContact CG-CZ3 4.15Å; M83-W87 PolarHBondContact O-N 3.45Å
84E98.2Very high97.7Very high50 Ų5040.6 Ų40.623%0.23420%0.201CC..Hα-helixtrans-58.7-40.9173.7-78.6-179.7-146.200111.9W80 I86 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.49Å; W80-E84 PolarHBondContact O-N 2.93Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.39Å; E84-W87 PolarHBondContact O-N 3.3Å; E84-H88 WeakPolarHBondContact O-CB 3.37Å; E84-H88 PolarHBondContact O-N 2.82Å; E84-I123 HydrophobicContact CG-CD1 3.84Å; E84-I123 HydrophobicContact CG-CG1 4.21Å; E84-I123 HydrophobicContact CG-CG2 3.68Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.31Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.33Å
85K98.2Very high97.9Very high58 Ų5838 Ų3825%0.25219%0.189SC..Hα-helixtrans-65-37.8174.2-68.1178.6-164.1770112.3V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.09Å; V36-K85 HydrophobicContact CG2-CB 4.43Å; S53-K85 WeakPolarHBondContact OG-CD 3.33Å; V55-K85 HydrophobicContact CG2-CB 4.19Å; D81-K85 WeakPolarHBondContact O-CG 3.15Å; D81-K85 PolarHBondContact O-NZ 3.46Å; D82-K85 PolarHBondContact O-N 2.95Å; D82-K85 IonicContact OD1-NZ 3.22Å; D82-K85 PolarHBondContact OD1-NZ 3.33Å; D82-K85 VanDerWaalsContact OD1-NZ 3.09Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.04Å; K85-H89 WeakPolarHBondContact O-CB 3.35Å; K85-H89 PolarHBondContact O-N 3.5Å
86I98.6Very high98.1Very high0 Ų047.3 Ų47.30%022%0.22CC..Hα-helixtrans-61.2-49.8174-72.9179.1000110F32 V36 V55 P71 D82 M83 E84 H88 H89 T90F32-I86 HydrophobicContact CE2-CG2 4.1Å; F32-I86 HydrophobicContact CZ-CG2 4.17Å; V36-I86 HydrophobicContact CG2-CD1 4.47Å; V36-I86 HydrophobicContact CG2-CG1 4.05Å; V55-I86 HydrophobicContact CG1-CG1 3.94Å; P71-I86 HydrophobicContact CG-CD1 3.33Å; P71-I86 HydrophobicContact CG-CG1 4.4Å; D82-I86 PolarHBondContact O-N 3.07Å; D82-I86 VanDerWaalsContact O-N 3.07Å; M83-I86 HydrophobicContact CE-CG2 4.12Å; M83-I86 WeakPolarHBondContact O-CA 3.1Å; M83-I86 WeakPolarHBondContact O-CB 3.05Å; M83-I86 PolarHBondContact O-N 3.04Å; M83-I86 VanDerWaalsContact O-N 3.08Å; M83-I86 HydrophobicContact SD-CD1 4.46Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.39Å; I86-H88 PolarHBondContact O-N 3.34Å; I86-H89 WeakPolarHBondContact O-CB 3.44Å; I86-H89 PolarHBondContact O-N 2.96Å; I86-H89 VanDerWaalsContact O-N 3.16Å; I86-T90 PolarHBondContact O-N 3.32Å; I86-T90 PolarHBondContact O-OG1 3.12Å
87W98.6Very high98.1Very high0 Ų047.1 Ų47.10%022%0.22CC..Hα-helixtrans-65.1-40.5179.2-68.6-36.1000113.2N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 3.19Å; W80-W87 HydrophobicContact CE3-CH2 4.48Å; W80-W87 AromaticContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CZ3 4.3Å; M83-W87 HydrophobicContact CE-CD2 4.21Å; M83-W87 VanDerWaalsContact CE-CE2 3.46Å; M83-W87 HydrophobicContact CE-CG 4.44Å; M83-W87 HydrophobicContact CE-CZ2 3.85Å; M83-W87 HydrophobicContact CG-CD2 4.13Å; M83-W87 HydrophobicContact CG-CE3 4.2Å; M83-W87 HydrophobicContact CG-CH2 3.99Å; M83-W87 HydrophobicContact CG-CZ2 3.83Å; M83-W87 HydrophobicContact CG-CZ3 4.15Å; M83-W87 PolarHBondContact O-N 3.45Å; E84-W87 PolarHBondContact O-N 3.3Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.27Å; W87-T90 WeakPolarHBondContact O-CB 3.26Å; W87-T90 PolarHBondContact O-N 2.87Å; W87-T90 VanDerWaalsContact O-N 3.13Å; W87-F91 HydrophobicContact CB-CD2 4.46Å; W87-F91 HydrophobicContact CB-CE2 4.11Å; W87-F91 WeakPolarHBondContact O-CD2 3.28Å; W87-F91 PolarHBondContact O-N 3.03Å; W87-L106 HydrophobicContact CZ2-CD2 3.96Å; W87-M120 HydrophobicContact CH2-CB 4.21Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.4Å; W87-I123 HydrophobicContact CE3-CG2 3.83Å; W87-I123 HydrophobicContact CZ3-CB 4.03Å; W87-I123 HydrophobicContact CZ3-CD1 3.89Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; W87-M124 HydrophobicContact CB-CE 4.31Å; W87-M124 HydrophobicContact CD2-CE 3.34Å; W87-M124 HydrophobicContact CE3-CE 3.53Å; W87-M124 HydrophobicContact CG-CE 3.74Å; W87-M124 HydrophobicContact CH2-CE 4.02Å; W87-M124 HydrophobicContact CZ2-CE 3.93Å; W87-M124 HydrophobicContact CZ3-CE 3.86Å; W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.05Å
88H98.3Very high98.1Very high94 Ų9447.5 Ų47.544%0.43523%0.225SC..Hα-helixtrans-56.7-45.3171.9-176.9-66.1000111E84 I86 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.37Å; E84-H88 PolarHBondContact O-N 2.82Å; I86-H88 PolarHBondContact O-N 3.34Å; H88-F91 PolarHBondContact O-N 3.35Å; H88-Y92 HydrophobicContact CB-CD2 4.45Å; H88-Y92 AromaticContact CD2-CD2 3.64Å; H88-Y92 AromaticContact CD2-CE2 3.66Å; H88-Y92 AromaticContact CE1-CD2 3.44Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.41Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.56Å; H88-Y92 AromaticContact NE2-CD2 3.52Å; H88-Y92 AromaticContact NE2-CE2 3.73Å; H88-Y92 WeakPolarHBondContact O-CB 3.2Å; H88-Y92 VanDerWaalsContact O-CD2 3.23Å; H88-Y92 WeakPolarHBondContact O-CD2 3.35Å; H88-Y92 PolarHBondContact O-N 3.33Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.22Å
89H98.3Very high98.1Very high15 Ų1544 Ų447%0.06920%0.204CC..Hα-helixtrans-62-43.6175.1-175.470.4000112F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.79Å; V55-H89 HydrophobicContact CB-CB 3.9Å; V55-H89 HydrophobicContact CG1-CB 3.66Å; V55-H89 HydrophobicContact CG2-CB 4.25Å; K85-H89 WeakPolarHBondContact O-CB 3.35Å; K85-H89 PolarHBondContact O-N 3.5Å; I86-H89 WeakPolarHBondContact O-CB 3.44Å; I86-H89 PolarHBondContact O-N 2.96Å; I86-H89 VanDerWaalsContact O-N 3.16Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.27Å; H89-F91 PolarHBondContact O-N 3.33Å; H89-N93 WeakPolarHBondContact ND1-CB 3.32Å; H89-N93 PolarHBondContact ND1-OD1 3.1Å; H89-N93 WeakPolarHBondContact O-CA 3.28Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 3.47Å; H89-N93 PolarHBondContact O-N 3.36Å; H89-E94 IonicContact CE1-OE1 2.86Å; H89-E94 IonicContact NE2-OE1 3.45Å; H89-E94 PolarHBondContact NE2-OE1 2.9Å; H89-E94 PolarHBondContact O-N 3.11Å; H89-E94 VanDerWaalsContact O-N 3.09Å
90T98.6Very high98.1Very high0 Ų046.3 Ų46.30%021%0.213CC..Iπ-helixtrans-54.5-52.2175.2-54.70000111.6I11 A20 F32 I86 W87 L95I11-T90 HydrophobicContact CD1-CG2 4.02Å; I11-T90 HydrophobicContact CG1-CG2 4.23Å; A20-T90 HydrophobicContact CB-CG2 3.29Å; F32-T90 VanDerWaalsContact CZ-OG1 3.31Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.44Å; I86-T90 PolarHBondContact O-N 3.32Å; I86-T90 PolarHBondContact O-OG1 3.12Å; W87-T90 WeakPolarHBondContact O-CB 3.26Å; W87-T90 PolarHBondContact O-N 2.87Å; W87-T90 VanDerWaalsContact O-N 3.13Å; T90-L95 HydrophobicContact CG2-CD1 4.17Å; T90-L95 HydrophobicContact CG2-CG 4.44Å; T90-L95 WeakPolarHBondContact O-CB 3.47Å; T90-L95 WeakPolarHBondContact O-CG 3.07Å; T90-L95 PolarHBondContact O-N 2.88Å
91F98.6Very high98.1Very high0 Ų050.1 Ų50.10%023%0.233CC..Iπ-helixtrans-69.7-52.5-176.3-64.6-56.3000112L9 I11 W87 H88 H89 L95 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.79Å; L9-F91 HydrophobicContact CD1-CE1 3.7Å; I11-F91 HydrophobicContact CD1-CD1 4.41Å; I11-F91 HydrophobicContact CD1-CE1 3.54Å; I11-F91 HydrophobicContact CD1-CE2 4.45Å; I11-F91 HydrophobicContact CD1-CZ 3.56Å; W87-F91 HydrophobicContact CB-CD2 4.46Å; W87-F91 HydrophobicContact CB-CE2 4.11Å; W87-F91 WeakPolarHBondContact O-CD2 3.28Å; W87-F91 PolarHBondContact O-N 3.03Å; H88-F91 PolarHBondContact O-N 3.35Å; H89-F91 PolarHBondContact O-N 3.33Å; F91-L95 CarbonylContact O-C 3.24Å; F91-R96 WeakPolarHBondContact O-CA 3.39Å; F91-R96 PolarHBondContact O-N 3Å; F91-V97 HydrophobicContact CD1-CG2 4.5Å; F91-V97 PolarHBondContact O-N 3.29Å; F91-P99 HydrophobicContact CB-CG 4.38Å; F91-P99 HydrophobicContact CD1-CB 3.91Å; F91-P99 HydrophobicContact CD2-CB 3.9Å; F91-P99 HydrophobicContact CD2-CG 4.07Å; F91-P99 HydrophobicContact CE1-CB 4Å; F91-P99 HydrophobicContact CE2-CB 4Å; F91-P99 HydrophobicContact CG-CB 3.87Å; F91-P99 HydrophobicContact CG-CG 4.14Å; F91-P99 HydrophobicContact CZ-CB 4.06Å; F91-V104 HydrophobicContact CE1-CG1 4.48Å; F91-V104 HydrophobicContact CE1-CG2 4.01Å; F91-V104 HydrophobicContact CZ-CG1 4.3Å; F91-V104 HydrophobicContact CZ-CG2 4.09Å; F91-M124 HydrophobicContact CE2-CE 4.41Å; F91-M124 HydrophobicContact CE2-SD 4.42Å; F91-M124 HydrophobicContact CZ-CE 4.4Å; F91-M124 HydrophobicContact CZ-SD 4.17Å; F91-F128 AromaticContact CD2-CD1 3.8Å; F91-F128 HydrophobicContact CD2-CD1 3.8Å; F91-F128 AromaticContact CD2-CE1 3.91Å; F91-F128 HydrophobicContact CD2-CE1 3.91Å; F91-F128 HydrophobicContact CD2-CG 4.25Å; F91-F128 HydrophobicContact CD2-CZ 4.44Å; F91-F128 HydrophobicContact CE2-CB 4.39Å; F91-F128 AromaticContact CE2-CD1 3.91Å; F91-F128 HydrophobicContact CE2-CD1 3.91Å; F91-F128 HydrophobicContact CE2-CD2 4.11Å; F91-F128 HydrophobicContact CE2-CE1 4.19Å; F91-F128 HydrophobicContact CE2-CE2 4.39Å; F91-F128 AromaticContact CE2-CG 3.86Å; F91-F128 HydrophobicContact CE2-CG 3.86Å; F91-F128 HydrophobicContact CE2-CZ 4.43Å
92Y98.1Very high98.1Very high94 Ų9446 Ų4637%0.36921%0.21SC..Iπ-helixtrans-93-28.1-165.7-61.7-70.7000114.5H88 P99H88-Y92 HydrophobicContact CB-CD2 4.45Å; H88-Y92 AromaticContact CD2-CD2 3.64Å; H88-Y92 AromaticContact CD2-CE2 3.66Å; H88-Y92 AromaticContact CE1-CD2 3.44Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.41Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.56Å; H88-Y92 AromaticContact NE2-CD2 3.52Å; H88-Y92 AromaticContact NE2-CE2 3.73Å; H88-Y92 WeakPolarHBondContact O-CB 3.2Å; H88-Y92 VanDerWaalsContact O-CD2 3.23Å; H88-Y92 WeakPolarHBondContact O-CD2 3.35Å; H88-Y92 PolarHBondContact O-N 3.33Å; Y92-P99 HydrophobicContact CE2-CG 4.5Å; Y92-P99 WeakPolarHBondContact OH-CD 3.28Å
93N97.2Very high98Very high74 Ų7447 Ų4740%0.39622%0.217SC..Iπ-helixtrans-98.7-48.8-178.5-64.9100.5000112.2H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.32Å; H89-N93 PolarHBondContact ND1-OD1 3.1Å; H89-N93 WeakPolarHBondContact O-CA 3.28Å; H89-N93 VanDerWaalsContact O-CB 3.3Å; H89-N93 WeakPolarHBondContact O-CB 3.47Å; H89-N93 PolarHBondContact O-N 3.36Å; N93-R96 WeakPolarHBondContact O-CG 3.28Å
94E98.2Very high98.1Very high68 Ų6847 Ų4732%0.31822%0.217SC..Iπ-helixtrans-81.7-56.3-173.7-64.9-59.8128.100111.5A30 F32 H89A30-E94 HydrophobicContact CB-CB 3.66Å; A30-E94 HydrophobicContact CB-CG 4.21Å; F32-E94 HydrophobicContact CD1-CG 3.75Å; F32-E94 HydrophobicContact CE1-CB 4.5Å; F32-E94 HydrophobicContact CE1-CG 3.79Å; F32-E94 HydrophobicContact CG-CG 4.47Å; H89-E94 IonicContact CE1-OE1 2.86Å; H89-E94 IonicContact NE2-OE1 3.45Å; H89-E94 PolarHBondContact NE2-OE1 2.9Å; H89-E94 PolarHBondContact O-N 3.11Å; H89-E94 VanDerWaalsContact O-N 3.09Å
95L97.8Very high98.1Very high17 Ų1744.6 Ų44.69%0.08921%0.206CC..Iπ-helixtrans-84.9-26.2-179.9-62.3-178.5000113.4L9 A20 F22 R29 T90 F91 V97L9-L95 HydrophobicContact CD1-CD1 4.2Å; L9-L95 HydrophobicContact CD2-CD1 4Å; A20-L95 HydrophobicContact CB-CD1 4.04Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.27Å; F22-L95 HydrophobicContact CE2-CD2 4.38Å; R29-L95 HydrophobicContact CB-CD2 4.01Å; T90-L95 HydrophobicContact CG2-CD1 4.17Å; T90-L95 HydrophobicContact CG2-CG 4.44Å; T90-L95 WeakPolarHBondContact O-CB 3.47Å; T90-L95 WeakPolarHBondContact O-CG 3.07Å; T90-L95 PolarHBondContact O-N 2.88Å; F91-L95 CarbonylContact O-C 3.24Å; L95-V97 HydrophobicContact CB-CG2 3.85Å
96R97.9Very high98.1Very high208 Ų20841.9 Ų41.979%0.78519%0.194SC*.  trans56.647.8-178.4-53.3-179.9-175.7-179.81.9113F91 N93F91-R96 WeakPolarHBondContact O-CA 3.39Å; F91-R96 PolarHBondContact O-N 3Å; N93-R96 WeakPolarHBondContact O-CG 3.28Å
97V97.7Very high98Very high22 Ų2242 Ų4213%0.13319%0.194CC..  trans-125.9159.1179.6-65.10000111.5L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.74Å; F22-V97 HydrophobicContact CE1-CG1 4.15Å; F22-V97 HydrophobicContact CZ-CG1 3.6Å; F91-V97 HydrophobicContact CD1-CG2 4.5Å; F91-V97 PolarHBondContact O-N 3.29Å; L95-V97 HydrophobicContact CB-CG2 3.85Å
98A97.7Very high98Very high24 Ų2442.5 Ų42.520%0.19820%0.197CC..  trans-88.4113.2170.200000109E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.33Å; A98-E100 PolarHBondContact O-N 3.2Å; A98-E100 VanDerWaalsContact O-N 3.17Å; A98-E101 HydrophobicContact CB-CG 4.15Å; A98-E101 PolarHBondContact O-N 3.18Å; A98-H102 PolarHBondContact O-CD2 3.45Å
99P97.9Very high97.8Very high0 Ų038 Ų380%018%0.176CC..G310 helixtrans-60-26.3-175.323.3-32.7000113.9F91 Y92 E101 H102 F128 V130F91-P99 HydrophobicContact CB-CG 4.38Å; F91-P99 HydrophobicContact CD1-CB 3.91Å; F91-P99 HydrophobicContact CD2-CB 3.9Å; F91-P99 HydrophobicContact CD2-CG 4.07Å; F91-P99 HydrophobicContact CE1-CB 4Å; F91-P99 HydrophobicContact CE2-CB 4Å; F91-P99 HydrophobicContact CG-CB 3.87Å; F91-P99 HydrophobicContact CG-CG 4.14Å; F91-P99 HydrophobicContact CZ-CB 4.06Å; Y92-P99 HydrophobicContact CE2-CG 4.5Å; Y92-P99 WeakPolarHBondContact OH-CD 3.28Å; P99-E101 PolarHBondContact O-N 3.14Å; P99-H102 PolarHBondContact O-N 3.03Å; P99-H102 VanDerWaalsContact O-O 3.14Å; P99-F128 HydrophobicContact CB-CB 4.11Å; P99-F128 HydrophobicContact CG-CB 4.05Å; P99-F128 HydrophobicContact CG-CD1 3.99Å; P99-F128 HydrophobicContact CG-CG 4.46Å; P99-V130 HydrophobicContact CB-CG1 4.16Å
100E97.8Very high97.6Very high97 Ų9737.4 Ų37.445%0.45317%0.174SC..G310 helixtrans-65.4-13.5175.962.3-93.8-13800114.3A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.33Å; A98-E100 PolarHBondContact O-N 3.2Å; A98-E100 VanDerWaalsContact O-N 3.17Å; E100-N129 WeakPolarHBondContact CA-O 3.41Å; E100-N129 HydrophobicContact CB-CB 4.25Å; E100-P131 WeakPolarHBondContact O-CD 3.1Å
101E97.3Very high97.3Very high124 Ų12442.3 Ų42.358%0.57920%0.199SC*.G310 helixtrans-93.2-13.3177.1-62-179.1173.600112.5V6 A98 P99V6-E101 WeakPolarHBondContact CG1-O 3.49Å; A98-E101 HydrophobicContact CB-CG 4.15Å; A98-E101 PolarHBondContact O-N 3.18Å; P99-E101 PolarHBondContact O-N 3.14Å
102H97.6Very high97.2Very high18 Ų1843.3 Ų43.38%0.08320%0.204CC..SBendtrans-127.5132.2-168-64.4-92.1000113.6V6 A7 L9 F22 A98 P99 V104 P131V6-H102 VanDerWaalsContact CG1-CE1 3.4Å; V6-H102 WeakPolarHBondContact CG1-CE1 3.41Å; V6-H102 WeakPolarHBondContact CG1-ND1 3.28Å; A7-H102 PolarHBondContact O-ND1 3.07Å; L9-H102 HydrophobicContact CD1-CB 3.81Å; L9-H102 HydrophobicContact CG-CB 3.76Å; F22-H102 AromaticContact CE1-CE1 3.8Å; A98-H102 PolarHBondContact O-CD2 3.45Å; P99-H102 PolarHBondContact O-N 3.03Å; P99-H102 VanDerWaalsContact O-O 3.14Å; H102-V104 WeakPolarHBondContact O-CG2 3.41Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.44Å
103P97.8Very high97.1Very high24 Ų2441.7 Ų41.716%0.15621%0.206CC..  trans-58.1144.2163.1-21.833.2000111.2A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.6Å; A8-P103 VanDerWaalsContact CA-O 3.28Å; A8-P103 WeakPolarHBondContact CA-O 3.31Å; A8-P103 HydrophobicContact CB-CB 4.02Å; L9-P103 PolarHBondContact N-O 2.9Å; P103-A132 CarbonylContact C-O 3.59Å; P103-A132 VanDerWaalsContact CA-O 3.26Å; P103-A132 WeakPolarHBondContact CA-O 3.38Å; P103-A132 HydrophobicContact CB-CB 4.21Å; P103-W357 HydrophobicContact CB-CD2 4.4Å; P103-W357 HydrophobicContact CB-CE3 4.43Å; P103-W357 HydrophobicContact CB-CH2 4.1Å; P103-W357 HydrophobicContact CB-CZ2 4.06Å; P103-W357 HydrophobicContact CB-CZ3 4.3Å
104V98.6Very high97.1Very high0 Ų045.2 Ų45.20%022%0.217CC..EExtended strand (participates in β ladder)trans-125.6118-177.2-174.90000112.2L9 I11 F91 H102 L106 M124 V130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.36Å; L9-V104 HydrophobicContact CD1-CG2 4.46Å; L9-V104 CarbonylContact O-C 3.55Å; L9-V104 WeakPolarHBondContact O-CA 3.33Å; I11-V104 HydrophobicContact CD1-CG1 3.85Å; I11-V104 HydrophobicContact CG1-CG1 4.24Å; F91-V104 HydrophobicContact CE1-CG1 4.48Å; F91-V104 HydrophobicContact CE1-CG2 4.01Å; F91-V104 HydrophobicContact CZ-CG1 4.3Å; F91-V104 HydrophobicContact CZ-CG2 4.09Å; H102-V104 WeakPolarHBondContact O-CG2 3.41Å; V104-L106 HydrophobicContact CG1-CD1 4.46Å; V104-L106 HydrophobicContact CG1-CG 4.11Å; V104-M124 HydrophobicContact CG1-SD 4.35Å; V104-V130 HydrophobicContact CB-CG1 4.39Å; V104-V130 HydrophobicContact CG2-CB 4.2Å; V104-V130 HydrophobicContact CG2-CG1 3.62Å; V104-A132 PolarHBondContact N-O 2.92Å; V104-M133 CarbonylContact O-C 3.53Å; V104-M133 WeakPolarHBondContact O-CA 3.38Å; V104-M133 VanDerWaalsContact O-CB 3.26Å; V104-M133 WeakPolarHBondContact O-CB 3.18Å; V104-Y134 PolarHBondContact O-N 3.22Å
105L98.6Very high97Very high0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-91.2121.6167-171.1151.7000109.7L9 V10 I11 T107 Y134 A136 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 3.27Å; V10-L105 WeakPolarHBondContact CA-O 3.35Å; V10-L105 HydrophobicContact CG1-CD2 4.16Å; V10-L105 HydrophobicContact CG2-CB 4.41Å; I11-L105 PolarHBondContact N-O 3.22Å; L105-T107 HydrophobicContact CD2-CG2 4.35Å; L105-Y134 CarbonylContact C-O 3.6Å; L105-Y134 WeakPolarHBondContact CA-O 3.45Å; L105-Y134 HydrophobicContact CD1-CD1 4.39Å; L105-A136 HydrophobicContact CD2-CB 4.3Å; L105-L141 HydrophobicContact CD2-CD1 4.06Å; L105-L347 HydrophobicContact CD1-CD2 4.22Å; L105-A348 HydrophobicContact CD1-CB 4.2Å; L105-F353 HydrophobicContact CD1-CE1 4.21Å; L105-F353 HydrophobicContact CD1-CZ 4.06Å; L105-W357 HydrophobicContact CB-CH2 3.84Å; L105-W357 HydrophobicContact CB-CZ3 4.13Å
106L98.6Very high97Very high0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-106.6146.9174.7-70.6146.5000110.4I11 N13 W87 V104 M124 M133 Y134 V135 A136I11-L106 HydrophobicContact CB-CD2 3.99Å; I11-L106 HydrophobicContact CD1-CD2 4.49Å; I11-L106 HydrophobicContact CG2-CD2 4.19Å; N13-L106 VanDerWaalsContact ND2-CD2 3.34Å; N13-L106 WeakPolarHBondContact ND2-CD2 3.3Å; W87-L106 HydrophobicContact CZ2-CD2 3.96Å; V104-L106 HydrophobicContact CG1-CD1 4.46Å; V104-L106 HydrophobicContact CG1-CG 4.11Å; L106-M124 HydrophobicContact CD1-CE 3.74Å; L106-M124 HydrophobicContact CD1-CG 3.53Å; L106-M124 HydrophobicContact CD1-SD 3.86Å; L106-M124 HydrophobicContact CD2-CE 3.81Å; L106-M124 HydrophobicContact CG-CE 4.34Å; L106-M133 HydrophobicContact CD1-CE 4.01Å; L106-Y134 PolarHBondContact N-O 2.71Å; L106-V135 CarbonylContact O-C 3.37Å; L106-V135 WeakPolarHBondContact O-CA 3.4Å; L106-A136 PolarHBondContact O-N 2.88Å
107T97.8Very high97Very high2 Ų236.7 Ų36.71%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-99.6148.5174.578.60000111.3I11 D12 N13 L105 A136 Q138 L141 V340I11-T107 PolarHBondContact O-N 2.91Å; I11-T107 VanDerWaalsContact O-N 3.09Å; D12-T107 VanDerWaalsContact CA-OG1 3.26Å; D12-T107 WeakPolarHBondContact CA-OG1 3.44Å; D12-T107 HydrophobicContact CB-CG2 4.01Å; D12-T107 PolarHBondContact OD1-OG1 3.35Å; N13-T107 PolarHBondContact N-OG1 2.87Å; N13-T107 PolarHBondContact ND2-O 2.9Å; L105-T107 HydrophobicContact CD2-CG2 4.35Å; T107-A136 CarbonylContact C-O 3.56Å; T107-A136 VanDerWaalsContact CA-O 3.3Å; T107-A136 WeakPolarHBondContact CA-O 3.27Å; T107-Q138 PolarHBondContact OG1-NE2 2.94Å; T107-L141 HydrophobicContact CG2-CD1 3.69Å; T107-V340 HydrophobicContact CG2-CG1 3.69Å
108E96.6Very high97.1Very high11 Ų1139 Ų395%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-134.1149.2173.169.4-177.8171.200112.3N112 R117 M120 V135 A136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.27Å; E108-N112 HydrophobicContact CG-CB 4.4Å; E108-N112 WeakPolarHBondContact OE2-CB 3.38Å; E108-N112 PolarHBondContact OE2-ND2 3.14Å; E108-R117 IonicContact OE1-CZ 2.77Å; E108-R117 IonicContact OE1-NE 3.57Å; E108-R117 PolarHBondContact OE1-NE 3.2Å; E108-R117 IonicContact OE1-NH2 3.35Å; E108-R117 PolarHBondContact OE1-NH2 3.48Å; E108-R117 WeakPolarHBondContact OE2-CG 3.44Å; E108-R117 IonicContact OE2-NE 3.99Å; E108-R117 PolarHBondContact OE2-NE 2.91Å; E108-M120 HydrophobicContact CB-CE 4.3Å; E108-V135 HydrophobicContact CB-CG1 3.93Å; E108-V135 HydrophobicContact CG-CG1 3.66Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.42Å; E108-A136 PolarHBondContact N-O 3.45Å; E108-I137 HydrophobicContact CG-CG1 4.46Å; E108-I137 WeakPolarHBondContact O-CA 3.49Å; E108-Q138 WeakPolarHBondContact O-CG 3.41Å; E108-Q138 PolarHBondContact O-N 3.22Å
109A95Very high97.1Very high1 Ų140.9 Ų40.91%0.00821%0.21CC..  trans-63.5149.8167.200000110.2N112A109-N112 WeakPolarHBondContact O-CB 3.41Å; A109-N112 PolarHBondContact O-N 3.33Å
110P94.6Very high97.1Very high2 Ų241.1 Ų41.11%0.01321%0.211CC..THydrogen-bonded Turntrans-59.7150.9172.829.2-37000110.8N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 2.84Å; P110-I137 HydrophobicContact CB-CG2 4.1Å; P110-H162 HydrophobicContact CG-CB 3.82Å; P110-H162 VanDerWaalsContact CG-CD2 3.49Å; P110-H162 WeakPolarHBondContact CG-CD2 3.3Å; P110-H162 VanDerWaalsContact CG-CG 3.49Å; P110-V164 HydrophobicContact CB-CG2 4.06Å; P110-V164 HydrophobicContact CG-CG2 3.76Å; P110-I176 HydrophobicContact CB-CD1 3.89Å; P110-I176 HydrophobicContact CB-CG2 4.02Å; P110-I176 HydrophobicContact CG-CG2 4.18Å
111L92.3Very high97.1Very high102 Ų10236.5 Ų36.553%0.53419%0.189SC..THydrogen-bonded Turntrans62.225.1-178.7-47.7175000114.2I176L111-I176 HydrophobicContact CD1-CB 4.41Å; L111-I176 HydrophobicContact CD1-CG2 4.03Å; L111-I176 HydrophobicContact CD2-CD1 4.36Å; L111-I176 HydrophobicContact CG-CG2 4.2Å
112N95.2Very high97.2Very high21 Ų2133.3 Ų33.311%0.11217%0.174CC..  trans-56.7131.8173.8-167.723000111E108 A109 P110 K114 N116 M120E108-N112 HydrophobicContact CB-CB 4.27Å; E108-N112 HydrophobicContact CG-CB 4.4Å; E108-N112 WeakPolarHBondContact OE2-CB 3.38Å; E108-N112 PolarHBondContact OE2-ND2 3.14Å; A109-N112 WeakPolarHBondContact O-CB 3.41Å; A109-N112 PolarHBondContact O-N 3.33Å; P110-N112 PolarHBondContact O-N 2.84Å; N112-K114 PolarHBondContact O-N 3.23Å; N112-N116 WeakPolarHBondContact OD1-CB 3.45Å; N112-M120 WeakPolarHBondContact ND2-CE 3.14Å
113P96.5Very high97.2Very high61 Ų6132.6 Ų32.640%0.39617%0.171SC..  trans-54138178.7-29.436.2000112.4A115 N116 R117P113-A115 PolarHBondContact O-N 3.21Å; P113-N116 HydrophobicContact CB-CB 4.36Å; P113-N116 WeakPolarHBondContact O-CA 3.33Å; P113-N116 WeakPolarHBondContact O-CB 3.39Å; P113-N116 PolarHBondContact O-N 3.42Å; P113-R117 PolarHBondContact O-N 2.76Å
114K96.7Very high97.2Very high148 Ų14831.4 Ų31.464%0.64316%0.164SC*.Hα-helixtrans-54.6-41.5-179.7-73.3-169.9176.4-175.20113N112 N116 R117 E118 H372N112-K114 PolarHBondContact O-N 3.23Å; K114-N116 PolarHBondContact O-N 3.45Å; K114-R117 WeakPolarHBondContact O-CB 3.29Å; K114-R117 PolarHBondContact O-N 3.1Å; K114-R117 VanDerWaalsContact O-N 3.13Å; K114-E118 PolarHBondContact O-N 2.77Å; K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.18Å; K114-H372 PolarHBondContact O-CE1 3.05Å
115A97.8Very high97.2Very high65 Ų6531.4 Ų31.454%0.53716%0.164SC..Hα-helixtrans-59.6-34.2176.100000112.4P113 K119P113-A115 PolarHBondContact O-N 3.21Å; A115-K119 WeakPolarHBondContact O-CB 3.38Å; A115-K119 PolarHBondContact O-N 2.78Å
116N97.9Very high97.2Very high22 Ų2236.1 Ų36.112%0.11819%0.185CC..Hα-helixtrans-69.7-40.8176.1-77.728.3000111.3I76 V77 W80 N112 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.34Å; V77-N116 PolarHBondContact O-ND2 3.32Å; V77-N116 VanDerWaalsContact O-ND2 3.09Å; W80-N116 HydrophobicContact CH2-CB 4.27Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; N112-N116 WeakPolarHBondContact OD1-CB 3.45Å; P113-N116 HydrophobicContact CB-CB 4.36Å; P113-N116 WeakPolarHBondContact O-CA 3.33Å; P113-N116 WeakPolarHBondContact O-CB 3.39Å; P113-N116 PolarHBondContact O-N 3.42Å; K114-N116 PolarHBondContact O-N 3.45Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 2.86Å; N116-K119 PolarHBondContact O-N 3.27Å; N116-M120 WeakPolarHBondContact O-CG 3.44Å; N116-M120 PolarHBondContact O-N 3.05Å
117R97.8Very high97.2Very high26 Ų2639.5 Ų39.510%0.09821%0.206CC..Hα-helixtrans-60.1-44.5174.9-49.2-176.783.8-155.311.1111.4E108 P113 K114 M120 T121 V371 C375E108-R117 IonicContact OE1-CZ 2.77Å; E108-R117 IonicContact OE1-NE 3.57Å; E108-R117 PolarHBondContact OE1-NE 3.2Å; E108-R117 IonicContact OE1-NH2 3.35Å; E108-R117 PolarHBondContact OE1-NH2 3.48Å; E108-R117 WeakPolarHBondContact OE2-CG 3.44Å; E108-R117 IonicContact OE2-NE 3.99Å; E108-R117 PolarHBondContact OE2-NE 2.91Å; P113-R117 PolarHBondContact O-N 2.76Å; K114-R117 WeakPolarHBondContact O-CB 3.29Å; K114-R117 PolarHBondContact O-N 3.1Å; K114-R117 VanDerWaalsContact O-N 3.13Å; R117-M120 PolarHBondContact O-N 3.35Å; R117-T121 WeakPolarHBondContact O-CB 3.18Å; R117-T121 PolarHBondContact O-N 2.88Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.83Å; R117-V371 HydrophobicContact CB-CG1 3.76Å; R117-V371 HydrophobicContact CB-CG2 4.24Å; R117-C375 VanDerWaalsContact CZ-O 3.3Å; R117-C375 PolarHBondContact NH1-O 3.21Å; R117-C375 PolarHBondContact NH2-O 2.92Å
118E98.4Very high97.3Very high72 Ų7239.8 Ų39.834%0.33621%0.207SC..Hα-helixtrans-62-44175.3-72.4171.7-156.900111.3K114 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 2.77Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 2.86Å; E118-T121 WeakPolarHBondContact O-CB 3.14Å; E118-T121 PolarHBondContact O-N 3.24Å; E118-Q122 WeakPolarHBondContact O-CB 3.28Å; E118-Q122 PolarHBondContact O-N 3.22Å; E118-P368 HydrophobicContact CB-CB 3.79Å; E118-P368 HydrophobicContact CG-CB 4.08Å; E118-V371 HydrophobicContact CG-CG1 4.43Å; E118-H372 WeakPolarHBondContact CG-NE2 3.09Å; E118-H372 IonicContact OE1-CD2 2.99Å; E118-H372 PolarHBondContact OE1-CD2 3.17Å; E118-H372 IonicContact OE1-CE1 3.59Å; E118-H372 IonicContact OE1-NE2 2.75Å; E118-H372 PolarHBondContact OE1-NE2 2.73Å
119K98.4Very high97.3Very high63 Ų6343.6 Ų43.627%0.27423%0.228SC..Hα-helixtrans-67.1-39.5-179.7-17058.9179.9170.90112.9W80 A115 N116 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.16Å; W80-K119 HydrophobicContact CD2-CG 3.38Å; W80-K119 VanDerWaalsContact CE2-CG 3.47Å; W80-K119 HydrophobicContact CE3-CB 4.44Å; W80-K119 HydrophobicContact CE3-CG 3.78Å; W80-K119 HydrophobicContact CG-CG 3.75Å; W80-K119 HydrophobicContact CH2-CB 4.08Å; W80-K119 HydrophobicContact CH2-CG 4.3Å; W80-K119 HydrophobicContact CZ2-CB 3.75Å; W80-K119 HydrophobicContact CZ2-CG 3.95Å; W80-K119 HydrophobicContact CZ3-CB 4.4Å; W80-K119 HydrophobicContact CZ3-CG 4.21Å; A115-K119 WeakPolarHBondContact O-CB 3.38Å; A115-K119 PolarHBondContact O-N 2.78Å; N116-K119 PolarHBondContact O-N 3.27Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 2.77Å; K119-Q122 PolarHBondContact O-N 3.04Å; K119-I123 HydrophobicContact CD-CD1 4.26Å; K119-I123 HydrophobicContact CD-CG1 4.42Å; K119-I123 HydrophobicContact CG-CD1 4.01Å; K119-I123 WeakPolarHBondContact O-CD1 3.31Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 3.29Å
120M97.6Very high97.5Very high4 Ų443.5 Ų43.52%0.0223%0.228CC..Hα-helixtrans-57.4-46.5170.7-65.3-168-74.200110.8W80 W87 E108 N112 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.47Å; W80-M120 VanDerWaalsContact CH2-CG 3.47Å; W80-M120 HydrophobicContact CZ3-CG 3.68Å; W87-M120 HydrophobicContact CH2-CB 4.21Å; W87-M120 HydrophobicContact CH2-CG 3.93Å; W87-M120 HydrophobicContact CZ2-CG 4.4Å; E108-M120 HydrophobicContact CB-CE 4.3Å; N112-M120 WeakPolarHBondContact ND2-CE 3.14Å; N116-M120 WeakPolarHBondContact O-CG 3.44Å; N116-M120 PolarHBondContact O-N 3.05Å; R117-M120 PolarHBondContact O-N 3.35Å; M120-I123 PolarHBondContact O-N 3.22Å; M120-M124 VanDerWaalsContact O-CG 3.29Å; M120-M124 WeakPolarHBondContact O-CG 3.4Å; M120-M124 PolarHBondContact O-N 3.03Å; M120-V135 HydrophobicContact CE-CG1 3.78Å; M120-V135 HydrophobicContact CE-CG2 4.27Å
121T98.2Very high97.6Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-61.6-47.4-178.9-54.40000111.5R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.18Å; R117-T121 PolarHBondContact O-N 2.88Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.83Å; E118-T121 WeakPolarHBondContact O-CB 3.14Å; E118-T121 PolarHBondContact O-N 3.24Å; K119-T121 VanDerWaalsContact C-N 3.29Å; K119-T121 PolarHBondContact O-N 2.77Å; T121-I123 PolarHBondContact O-N 3.17Å; T121-M124 PolarHBondContact O-N 3.27Å; T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 WeakPolarHBondContact O-CD2 3.49Å; T121-F125 PolarHBondContact O-N 3.42Å; T121-M133 HydrophobicContact CG2-SD 3.97Å; T121-Y363 HydrophobicContact CG2-CD2 3.8Å; T121-Y363 HydrophobicContact CG2-CE2 3.98Å; T121-I370 HydrophobicContact CG2-CG2 4.42Å; T121-V371 WeakPolarHBondContact OG1-CB 3.32Å
122Q98.4Very high97.9Very high58 Ų5841.7 Ų41.727%0.27122%0.223SC..Hα-helixtrans-57.5-50.6177.2-171.4-170.84.600111.5E118 K119 M124 F125 E126 P368E118-Q122 WeakPolarHBondContact O-CB 3.28Å; E118-Q122 PolarHBondContact O-N 3.22Å; K119-Q122 PolarHBondContact O-N 3.04Å; Q122-M124 PolarHBondContact O-N 2.73Å; Q122-F125 PolarHBondContact O-N 2.8Å; Q122-E126 HydrophobicContact CG-CG 4.1Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.47Å; Q122-E126 PolarHBondContact NE2-OE2 3.11Å; Q122-E126 VanDerWaalsContact O-CB 3.22Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.23Å; Q122-E126 PolarHBondContact O-N 3.47Å; Q122-P368 HydrophobicContact CB-CG 4.22Å
123I98.5Very high98.1Very high2 Ų240.7 Ų40.71%0.0122%0.217CC..Hα-helixtrans-62.3-45.7-176.7-69.5165.1000111W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CB-CD1 4.46Å; W80-I123 HydrophobicContact CD2-CD1 4.23Å; W80-I123 HydrophobicContact CE3-CD1 3.48Å; W80-I123 VanDerWaalsContact CE3-CD1 3.48Å; W80-I123 HydrophobicContact CZ3-CD1 4.13Å; E84-I123 HydrophobicContact CG-CD1 3.84Å; E84-I123 HydrophobicContact CG-CG1 4.21Å; E84-I123 HydrophobicContact CG-CG2 3.68Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.31Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.33Å; W87-I123 HydrophobicContact CE3-CG2 3.83Å; W87-I123 HydrophobicContact CZ3-CB 4.03Å; W87-I123 HydrophobicContact CZ3-CD1 3.89Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; K119-I123 HydrophobicContact CD-CD1 4.26Å; K119-I123 HydrophobicContact CD-CG1 4.42Å; K119-I123 HydrophobicContact CG-CD1 4.01Å; K119-I123 WeakPolarHBondContact O-CD1 3.31Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 3.29Å; M120-I123 PolarHBondContact O-N 3.22Å; T121-I123 PolarHBondContact O-N 3.17Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 2.81Å; I123-T127 WeakPolarHBondContact O-CA 3.23Å; I123-T127 WeakPolarHBondContact O-CB 3.35Å; I123-T127 PolarHBondContact O-N 3.28Å; I123-F128 HydrophobicContact CG2-CD2 3.79Å; I123-F128 HydrophobicContact CG2-CE2 3.62Å; I123-F128 PolarHBondContact O-N 2.82Å; I123-F128 VanDerWaalsContact O-N 3.12Å
124M98.6Very high98.1Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-60.2-43.6-179-72.8-68.9151.500112W87 F91 V104 L106 M120 T121 Q122 F128 N129 V130 M133W87-M124 HydrophobicContact CB-CE 4.31Å; W87-M124 HydrophobicContact CD2-CE 3.34Å; W87-M124 HydrophobicContact CE3-CE 3.53Å; W87-M124 HydrophobicContact CG-CE 3.74Å; W87-M124 HydrophobicContact CH2-CE 4.02Å; W87-M124 HydrophobicContact CZ2-CE 3.93Å; W87-M124 HydrophobicContact CZ3-CE 3.86Å; F91-M124 HydrophobicContact CE2-CE 4.41Å; F91-M124 HydrophobicContact CE2-SD 4.42Å; F91-M124 HydrophobicContact CZ-CE 4.4Å; F91-M124 HydrophobicContact CZ-SD 4.17Å; V104-M124 HydrophobicContact CG1-SD 4.35Å; L106-M124 HydrophobicContact CD1-CE 3.74Å; L106-M124 HydrophobicContact CD1-CG 3.53Å; L106-M124 HydrophobicContact CD1-SD 3.86Å; L106-M124 HydrophobicContact CD2-CE 3.81Å; L106-M124 HydrophobicContact CG-CE 4.34Å; M120-M124 VanDerWaalsContact O-CG 3.29Å; M120-M124 WeakPolarHBondContact O-CG 3.4Å; M120-M124 PolarHBondContact O-N 3.03Å; T121-M124 PolarHBondContact O-N 3.27Å; Q122-M124 PolarHBondContact O-N 2.73Å; M124-F128 HydrophobicContact CE-CD2 4.3Å; M124-F128 CarbonylContact O-C 3.47Å; M124-F128 HydrophobicContact SD-CD2 4.26Å; M124-N129 PolarHBondContact O-N 2.86Å; M124-V130 HydrophobicContact CB-CG2 3.85Å; M124-V130 PolarHBondContact O-N 2.79Å; M124-V130 VanDerWaalsContact O-N 3.07Å; M124-V130 HydrophobicContact SD-CG1 4.27Å; M124-M133 HydrophobicContact CB-SD 3.58Å; M124-M133 VanDerWaalsContact CB-SD 3.58Å; M124-M133 HydrophobicContact CG-SD 4.06Å
125F98.6Very high98.2Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-83.3-35.5-178.9-76.3-58.4000114.9T121 Q122 I123 N129 V130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.81Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 WeakPolarHBondContact O-CD2 3.49Å; T121-F125 PolarHBondContact O-N 3.42Å; Q122-F125 PolarHBondContact O-N 2.8Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 2.81Å; F125-N129 WeakPolarHBondContact O-CA 3.29Å; F125-N129 PolarHBondContact O-OD1 2.88Å; F125-V130 HydrophobicContact CD1-CG2 3.94Å; F125-V130 VanDerWaalsContact CD1-O 3.23Å; F125-V130 WeakPolarHBondContact CD1-O 3.23Å; F125-V130 HydrophobicContact CE1-CG2 4.05Å; F125-V130 WeakPolarHBondContact CE1-O 3.34Å; F125-M133 HydrophobicContact CD2-CG 4.25Å; F125-M133 HydrophobicContact CD2-SD 4.02Å; F125-M133 HydrophobicContact CE1-CG 4.4Å; F125-M133 HydrophobicContact CE2-CG 3.47Å; F125-M133 VanDerWaalsContact CE2-CG 3.47Å; F125-M133 HydrophobicContact CE2-SD 3.76Å; F125-M133 HydrophobicContact CZ-CG 3.58Å; F125-M133 HydrophobicContact CZ-SD 4.4Å; F125-I358 HydrophobicContact CE2-CG2 3.87Å; F125-I358 HydrophobicContact CZ-CB 4.36Å; F125-I358 HydrophobicContact CZ-CG2 3.89Å; F125-I358 WeakPolarHBondContact CZ-O 3.39Å; F125-K360 HydrophobicContact CB-CD 4.18Å; F125-K360 HydrophobicContact CD1-CB 4.18Å; F125-K360 HydrophobicContact CD1-CD 3.51Å; F125-K360 HydrophobicContact CD1-CG 4.46Å; F125-K360 HydrophobicContact CE1-CB 4.03Å; F125-K360 HydrophobicContact CE1-CD 4.21Å; F125-K360 HydrophobicContact CG-CD 4.16Å; F125-K360 PolarHBondContact O-NZ 3.03Å; F125-Y363 HydrophobicContact CB-CD1 3.64Å; F125-Y363 HydrophobicContact CB-CD2 4.29Å; F125-Y363 HydrophobicContact CB-CE1 3.74Å; F125-Y363 HydrophobicContact CB-CE2 4.35Å; F125-Y363 HydrophobicContact CB-CG 3.94Å; F125-Y363 AromaticContact CD2-CD1 3.97Å; F125-Y363 HydrophobicContact CD2-CD1 3.97Å; F125-Y363 AromaticContact CD2-CD2 3.34Å; F125-Y363 HydrophobicContact CD2-CD2 3.34Å; F125-Y363 AromaticContact CD2-CE2 3.97Å; F125-Y363 HydrophobicContact CD2-CE2 3.97Å; F125-Y363 AromaticContact CD2-CG 3.32Å; F125-Y363 HydrophobicContact CD2-CG 3.32Å; F125-Y363 AromaticContact CE2-CD2 3.89Å; F125-Y363 HydrophobicContact CE2-CD2 3.89Å; F125-Y363 AromaticContact CE2-CG 3.83Å; F125-Y363 HydrophobicContact CE2-CG 3.83Å; F125-Y363 AromaticContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD2 4.09Å; F125-Y363 HydrophobicContact CG-CE1 4.42Å; F125-Y363 AromaticContact CG-CG 3.69Å; F125-Y363 HydrophobicContact CG-CG 3.69Å
126E98.4Very high98.2Very high98 Ų9829.1 Ų29.146%0.45815%0.15SC..Hα-helixtrans-93.4-34.4-174.3-63.4-177.4-178.200112.9Q122 Y363Q122-E126 HydrophobicContact CG-CG 4.1Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.47Å; Q122-E126 PolarHBondContact NE2-OE2 3.11Å; Q122-E126 VanDerWaalsContact O-CB 3.22Å; Q122-E126 WeakPolarHBondContact O-CB 3.31Å; Q122-E126 WeakPolarHBondContact O-CG 3.23Å; Q122-E126 PolarHBondContact O-N 3.47Å; E126-Y363 VanDerWaalsContact CD-OH 3.29Å; E126-Y363 HydrophobicContact CG-CE1 4.05Å; E126-Y363 WeakPolarHBondContact CG-OH 3.31Å; E126-Y363 PolarHBondContact OE1-OH 3.2Å
127T98.3Very high98.1Very high71 Ų7129 Ų2944%0.43615%0.149SC..THydrogen-bonded Turntrans-95.7-48.2-178.5-52.60000111.2I123I123-T127 WeakPolarHBondContact O-CA 3.23Å; I123-T127 WeakPolarHBondContact O-CB 3.35Å; I123-T127 PolarHBondContact O-N 3.28Å
128F98.5Very high98.1Very high8 Ų828.5 Ų28.54%0.03515%0.148CC..SBendtrans-94.3-6.5-178.1-64.9-67.6000114.1W87 H88 F91 P99 I123 M124 V130W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.73Å; W87-F128 HydrophobicContact CE3-CE2 4.05Å; H88-F128 HydrophobicContact CB-CE1 4.1Å; H88-F128 HydrophobicContact CB-CZ 4.22Å; F91-F128 AromaticContact CD2-CD1 3.8Å; F91-F128 HydrophobicContact CD2-CD1 3.8Å; F91-F128 AromaticContact CD2-CE1 3.91Å; F91-F128 HydrophobicContact CD2-CE1 3.91Å; F91-F128 HydrophobicContact CD2-CG 4.25Å; F91-F128 HydrophobicContact CD2-CZ 4.44Å; F91-F128 HydrophobicContact CE2-CB 4.39Å; F91-F128 AromaticContact CE2-CD1 3.91Å; F91-F128 HydrophobicContact CE2-CD1 3.91Å; F91-F128 HydrophobicContact CE2-CD2 4.11Å; F91-F128 HydrophobicContact CE2-CE1 4.19Å; F91-F128 HydrophobicContact CE2-CE2 4.39Å; F91-F128 AromaticContact CE2-CG 3.86Å; F91-F128 HydrophobicContact CE2-CG 3.86Å; F91-F128 HydrophobicContact CE2-CZ 4.43Å; P99-F128 HydrophobicContact CB-CB 4.11Å; P99-F128 HydrophobicContact CG-CB 4.05Å; P99-F128 HydrophobicContact CG-CD1 3.99Å; P99-F128 HydrophobicContact CG-CG 4.46Å; I123-F128 HydrophobicContact CG2-CD2 3.79Å; I123-F128 HydrophobicContact CG2-CE2 3.62Å; I123-F128 PolarHBondContact O-N 2.82Å; I123-F128 VanDerWaalsContact O-N 3.12Å; M124-F128 HydrophobicContact CE-CD2 4.3Å; M124-F128 CarbonylContact O-C 3.47Å; M124-F128 HydrophobicContact SD-CD2 4.26Å; F128-V130 HydrophobicContact CB-CG1 4.1Å; F128-V130 PolarHBondContact O-N 2.86Å; F128-V130 VanDerWaalsContact O-N 3.12Å
129N98.2Very high98.1Very high91 Ų9125.1 Ų25.149%0.48713%0.132SC..  trans50.234.9178-62.4-58000114.3E100 M124 F125E100-N129 WeakPolarHBondContact CA-O 3.41Å; E100-N129 HydrophobicContact CB-CB 4.25Å; M124-N129 PolarHBondContact O-N 2.86Å; F125-N129 WeakPolarHBondContact O-CA 3.29Å; F125-N129 PolarHBondContact O-OD1 2.88Å
130V98.5Very high98Very high0 Ų023 Ų230%012%0.124CC..  trans-60.2140.4179.6-55.20000110.1P99 V104 M124 F125 F128 A132 M133P99-V130 HydrophobicContact CB-CG1 4.16Å; V104-V130 HydrophobicContact CB-CG1 4.39Å; V104-V130 HydrophobicContact CG2-CB 4.2Å; V104-V130 HydrophobicContact CG2-CG1 3.62Å; M124-V130 HydrophobicContact CB-CG2 3.85Å; M124-V130 PolarHBondContact O-N 2.79Å; M124-V130 VanDerWaalsContact O-N 3.07Å; M124-V130 HydrophobicContact SD-CG1 4.27Å; F125-V130 HydrophobicContact CD1-CG2 3.94Å; F125-V130 VanDerWaalsContact CD1-O 3.23Å; F125-V130 WeakPolarHBondContact CD1-O 3.23Å; F125-V130 HydrophobicContact CE1-CG2 4.05Å; F125-V130 WeakPolarHBondContact CE1-O 3.34Å; F128-V130 HydrophobicContact CB-CG1 4.1Å; F128-V130 PolarHBondContact O-N 2.86Å; F128-V130 VanDerWaalsContact O-N 3.12Å; V130-A132 VanDerWaalsContact C-N 3.29Å; V130-A132 PolarHBondContact O-N 3.47Å; V130-M133 HydrophobicContact CG2-CB 4.1Å
131P97.8Very high98Very high52 Ų5222.8 Ų22.834%0.33812%0.124SC..SBendtrans-69.4-30.7-178.626.8-34.6000112E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.1Å; H102-P131 VanDerWaalsContact O-CD 3.32Å; H102-P131 WeakPolarHBondContact O-CD 3.44Å; P131-K360 PolarHBondContact O-N 3.28Å
132A98Very high98Very high13 Ų1322.8 Ų22.811%0.10712%0.124CC..EExtended strand (participates in β ladder)trans-155.7156.8176.200000111.2P103 V104 V130 W357 I358P103-A132 CarbonylContact C-O 3.59Å; P103-A132 VanDerWaalsContact CA-O 3.26Å; P103-A132 WeakPolarHBondContact CA-O 3.38Å; P103-A132 HydrophobicContact CB-CB 4.21Å; V104-A132 PolarHBondContact N-O 2.92Å; V130-A132 VanDerWaalsContact C-N 3.29Å; V130-A132 PolarHBondContact O-N 3.47Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.44Å; A132-I358 CarbonylContact C-O 3.6Å; A132-I358 WeakPolarHBondContact CA-O 3.21Å; A132-I358 WeakPolarHBondContact CB-O 3.49Å
133M98.1Very high97.9Very high0 Ų020 Ų200%011%0.111CC..EExtended strand (participates in β ladder)trans-149.3164.8174.266.1165.6-76.500113.6V104 L106 T121 M124 F125 V130 V135 I358V104-M133 CarbonylContact O-C 3.53Å; V104-M133 WeakPolarHBondContact O-CA 3.38Å; V104-M133 VanDerWaalsContact O-CB 3.26Å; V104-M133 WeakPolarHBondContact O-CB 3.18Å; L106-M133 HydrophobicContact CD1-CE 4.01Å; T121-M133 HydrophobicContact CG2-SD 3.97Å; M124-M133 HydrophobicContact CB-SD 3.58Å; M124-M133 VanDerWaalsContact CB-SD 3.58Å; M124-M133 HydrophobicContact CG-SD 4.06Å; F125-M133 HydrophobicContact CD2-CG 4.25Å; F125-M133 HydrophobicContact CD2-SD 4.02Å; F125-M133 HydrophobicContact CE1-CG 4.4Å; F125-M133 HydrophobicContact CE2-CG 3.47Å; F125-M133 VanDerWaalsContact CE2-CG 3.47Å; F125-M133 HydrophobicContact CE2-SD 3.76Å; F125-M133 HydrophobicContact CZ-CG 3.58Å; F125-M133 HydrophobicContact CZ-SD 4.4Å; V130-M133 HydrophobicContact CG2-CB 4.1Å; M133-V135 HydrophobicContact CE-CG2 3.49Å; M133-V135 VanDerWaalsContact CE-CG2 3.49Å; M133-I358 PolarHBondContact N-O 2.85Å; M133-I358 WeakPolarHBondContact O-CB 3.44Å; M133-I358 PolarHBondContact O-N 2.59Å
134Y98.2Very high97.7Very high22 Ų2223.1 Ų23.19%0.08612%0.123CC..EExtended strand (participates in β ladder)trans-146.7148.2173.1-168-94000109.9V104 L105 L106 A136 F353 M356 K374 C375V104-Y134 PolarHBondContact O-N 3.22Å; L105-Y134 CarbonylContact C-O 3.6Å; L105-Y134 WeakPolarHBondContact CA-O 3.45Å; L105-Y134 HydrophobicContact CD1-CD1 4.39Å; L106-Y134 PolarHBondContact N-O 2.71Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.93Å; Y134-F353 HydrophobicContact CD1-CE2 4.14Å; Y134-F353 AromaticContact CD1-CZ 3.6Å; Y134-F353 HydrophobicContact CD1-CZ 3.6Å; Y134-F353 HydrophobicContact CD2-CE2 4.32Å; Y134-F353 AromaticContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CE1-CE2 4.08Å; Y134-F353 HydrophobicContact CE1-CZ 4.03Å; Y134-F353 HydrophobicContact CE2-CE2 4.27Å; Y134-F353 HydrophobicContact CE2-CZ 4.31Å; Y134-F353 HydrophobicContact CG-CE1 4.45Å; Y134-F353 HydrophobicContact CG-CE2 4.26Å; Y134-F353 AromaticContact CG-CZ 3.54Å; Y134-F353 HydrophobicContact CG-CZ 3.54Å; Y134-M356 HydrophobicContact CD2-CB 4.41Å; Y134-M356 WeakPolarHBondContact CD2-O 3.22Å; Y134-M356 HydrophobicContact CE2-CB 4.12Å; Y134-M356 HydrophobicContact CE2-CE 4.39Å; Y134-K374 WeakPolarHBondContact CE2-O 3.34Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.47Å; Y134-C375 HydrophobicContact CE2-CB 4.3Å; Y134-C375 VanDerWaalsContact CE2-SG 3.51Å
135V97.9Very high97.6Very high1 Ų124.3 Ų24.31%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-115.9126.4174-1750000108.9L106 E108 M120 M133 V371 C375L106-V135 CarbonylContact O-C 3.37Å; L106-V135 WeakPolarHBondContact O-CA 3.4Å; E108-V135 HydrophobicContact CB-CG1 3.93Å; E108-V135 HydrophobicContact CG-CG1 3.66Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.42Å; M120-V135 HydrophobicContact CE-CG1 3.78Å; M120-V135 HydrophobicContact CE-CG2 4.27Å; M133-V135 HydrophobicContact CE-CG2 3.49Å; M133-V135 VanDerWaalsContact CE-CG2 3.49Å; V135-V371 HydrophobicContact CB-CG2 4.33Å; V135-V371 HydrophobicContact CG2-CG2 4.02Å; V135-C375 HydrophobicContact CB-CB 4.41Å; V135-C375 PolarHBondContact N-SG 3.33Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 VanDerWaalsContact O-CB 3.32Å; V135-C375 WeakPolarHBondContact O-CB 3.23Å
136A97.2Very high97.4Very high9 Ų925.3 Ų25.37%0.07414%0.14CC..EExtended strand (participates in β ladder)trans-125.9143.1-178.400000112.2L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.3Å; L106-A136 PolarHBondContact O-N 2.88Å; T107-A136 CarbonylContact C-O 3.56Å; T107-A136 VanDerWaalsContact CA-O 3.3Å; T107-A136 WeakPolarHBondContact CA-O 3.27Å; E108-A136 PolarHBondContact N-O 3.45Å; Y134-A136 HydrophobicContact CD1-CB 4.07Å; Y134-A136 HydrophobicContact CE1-CB 3.93Å; A136-Q138 PolarHBondContact O-N 2.93Å; A136-L141 HydrophobicContact CB-CD1 3.87Å; A136-L141 HydrophobicContact CB-CD2 3.79Å; A136-L141 HydrophobicContact CB-CG 3.89Å
137I96.8Very high97.1Very high18 Ų1824 Ų249%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-69.1127.5177.1-61.1173.5000109.4E108 P110 A139 V140 L141 A171E108-I137 HydrophobicContact CG-CG1 4.46Å; E108-I137 WeakPolarHBondContact O-CA 3.49Å; P110-I137 HydrophobicContact CB-CG2 4.1Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.32Å; I137-A139 PolarHBondContact O-N 3.46Å; I137-V140 HydrophobicContact CB-CB 4.35Å; I137-V140 HydrophobicContact CB-CG2 3.88Å; I137-V140 HydrophobicContact CG2-CG2 4.18Å; I137-V140 PolarHBondContact O-N 3.45Å; I137-L141 PolarHBondContact O-N 3.14Å; I137-A171 HydrophobicContact CD1-CB 4.17Å
138Q97.8Very high97Very high17 Ų1723.3 Ų23.38%0.07914%0.142CC..Hα-helixtrans-50.5-47.2-177.4-72.3173.2-28.400112.8D12 N13 T107 E108 A136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 3.37Å; N13-Q138 PolarHBondContact O-NE2 3.31Å; T107-Q138 PolarHBondContact OG1-NE2 2.94Å; E108-Q138 WeakPolarHBondContact O-CG 3.41Å; E108-Q138 PolarHBondContact O-N 3.22Å; A136-Q138 PolarHBondContact O-N 2.93Å; Q138-V140 PolarHBondContact O-N 2.62Å; Q138-L141 PolarHBondContact O-N 3.13Å; Q138-S142 PolarHBondContact O-N 3.45Å; Q138-S142 PolarHBondContact O-OG 3.04Å; Q138-V340 HydrophobicContact CB-CG1 3.93Å; Q138-V340 HydrophobicContact CB-CG2 3.91Å; Q138-V340 HydrophobicContact CG-CG1 3.82Å; Q138-V340 HydrophobicContact CG-CG2 4.42Å
139A97.4Very high96.8Very high1 Ų126.7 Ų26.71%0.00816%0.163CC..Hα-helixtrans-63.7-37.618000000113.5I137 L141 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.32Å; I137-A139 PolarHBondContact O-N 3.46Å; A139-L141 VanDerWaalsContact C-N 3.35Å; A139-S142 PolarHBondContact O-N 3.03Å; A139-L143 PolarHBondContact O-N 2.93Å; A139-V153 HydrophobicContact CB-CB 3.99Å; A139-V153 HydrophobicContact CB-CG1 4Å; A139-V153 WeakPolarHBondContact O-CG2 3.33Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.94Å; A139-V164 HydrophobicContact CB-CG2 3.49Å; A139-V164 VanDerWaalsContact CB-CG2 3.49Å
140V96.9Very high96.8Very high17 Ų1723.4 Ų23.410%0.10315%0.147CC..Hα-helixtrans-63.7-45.1177.4178.60000109.8I137 Q138 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.35Å; I137-V140 HydrophobicContact CB-CG2 3.88Å; I137-V140 HydrophobicContact CG2-CG2 4.18Å; I137-V140 PolarHBondContact O-N 3.45Å; Q138-V140 PolarHBondContact O-N 2.62Å; V140-S142 PolarHBondContact O-N 3.35Å; V140-L143 WeakPolarHBondContact O-CB 3.31Å; V140-L143 PolarHBondContact O-N 3.07Å; V140-Y144 HydrophobicContact CG1-CD2 4.32Å; V140-Y144 HydrophobicContact CG1-CE2 3.81Å; V140-Y144 PolarHBondContact O-N 2.8Å; V140-Y144 VanDerWaalsContact O-N 3.08Å; V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.08Å; V140-I166 HydrophobicContact CG2-CG1 4.23Å; V140-A171 HydrophobicContact CG2-CB 4.07Å
141L97.5Very high96.8Very high1 Ų123.4 Ų23.41%0.00515%0.147CC..Hα-helixtrans-61.2-44.3175.5-60.3-178.6000111.7L105 T107 A136 I137 Q138 A139 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.06Å; T107-L141 HydrophobicContact CG2-CD1 3.69Å; A136-L141 HydrophobicContact CB-CD1 3.87Å; A136-L141 HydrophobicContact CB-CD2 3.79Å; A136-L141 HydrophobicContact CB-CG 3.89Å; I137-L141 PolarHBondContact O-N 3.14Å; Q138-L141 PolarHBondContact O-N 3.13Å; A139-L141 VanDerWaalsContact C-N 3.35Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 3.41Å; L141-Y144 HydrophobicContact CD2-CD2 4.49Å; L141-Y144 WeakPolarHBondContact O-CB 3.42Å; L141-Y144 PolarHBondContact O-N 3.32Å; L141-Y144 VanDerWaalsContact O-N 3.09Å; L141-A145 PolarHBondContact O-N 3.28Å; L141-V340 HydrophobicContact CB-CG1 4.49Å; L141-V340 WeakPolarHBondContact CB-O 3.23Å; L141-V340 HydrophobicContact CD1-CG1 4.18Å; L141-G343 VanDerWaalsContact O-CA 3.27Å; L141-G343 WeakPolarHBondContact O-CA 3.48Å; L141-L347 HydrophobicContact CD2-CB 4.3Å; L141-L347 HydrophobicContact CD2-CD2 3.61Å
142S97.8Very high96.8Very high0 Ų021 Ų210%013%0.13CC..Hα-helixtrans-60.7-34.8176.7-71.20000113.4Q138 A139 V140 S146 S301 V340Q138-S142 PolarHBondContact O-N 3.45Å; Q138-S142 PolarHBondContact O-OG 3.04Å; A139-S142 PolarHBondContact O-N 3.03Å; V140-S142 PolarHBondContact O-N 3.35Å; S142-S146 PolarHBondContact O-N 3.27Å; S142-S301 WeakPolarHBondContact CB-OG 3.41Å; S142-S301 PolarHBondContact OG-OG 3.25Å; S142-V340 WeakPolarHBondContact OG-CG2 3.47Å; S142-V340 PolarHBondContact OG-N 2.92Å
143L97.1Very high96.9Very high0 Ų020.3 Ų20.30%013%0.125CC..Hα-helixtrans-65.8-44.4173.4-169.467.7000111.1A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 2.93Å; V140-L143 WeakPolarHBondContact O-CB 3.31Å; V140-L143 PolarHBondContact O-N 3.07Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 3.41Å; L143-A145 PolarHBondContact O-N 3.05Å; L143-S146 WeakPolarHBondContact O-CB 3.26Å; L143-S146 PolarHBondContact O-N 3.29Å; L143-S146 PolarHBondContact O-OG 2.94Å; L143-R148 CarbonylContact C-O 3.57Å; L143-R148 HydrophobicContact CD1-CB 3.73Å; L143-R148 HydrophobicContact CG-CB 3.87Å; L143-R148 WeakPolarHBondContact CG-O 3.42Å; L143-R148 PolarHBondContact O-N 3.48Å; L143-V153 HydrophobicContact CB-CG2 3.85Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; L143-I166 HydrophobicContact CB-CD1 3.91Å; L143-I166 HydrophobicContact CD2-CB 3.67Å; L143-I166 HydrophobicContact CD2-CD1 3.75Å; L143-I166 HydrophobicContact CD2-CG1 4.33Å; L143-I166 HydrophobicContact CD2-CG2 3.62Å; L143-I166 HydrophobicContact CG-CD1 4.42Å; L143-V299 HydrophobicContact CD1-CB 4.46Å; L143-V299 HydrophobicContact CD1-CG2 3.68Å
144Y93.8Very high96.9Very high67 Ų6720.3 Ų20.326%0.26313%0.125SC..Hα-helixtrans-61.2-40.1176-70.4-27000113V140 L141 S146 G147 R148 T149 L347V140-Y144 HydrophobicContact CG1-CD2 4.32Å; V140-Y144 HydrophobicContact CG1-CE2 3.81Å; V140-Y144 PolarHBondContact O-N 2.8Å; V140-Y144 VanDerWaalsContact O-N 3.08Å; L141-Y144 HydrophobicContact CD2-CD2 4.49Å; L141-Y144 WeakPolarHBondContact O-CB 3.42Å; L141-Y144 PolarHBondContact O-N 3.32Å; L141-Y144 VanDerWaalsContact O-N 3.09Å; Y144-S146 PolarHBondContact O-N 3.05Å; Y144-S146 VanDerWaalsContact O-N 3.12Å; Y144-G147 WeakPolarHBondContact O-CA 3.49Å; Y144-G147 PolarHBondContact O-N 2.87Å; Y144-R148 WeakPolarHBondContact CD1-O 3.36Å; Y144-T149 HydrophobicContact CE1-CG2 4.16Å; Y144-L347 HydrophobicContact CD2-CD1 4.47Å; Y144-L347 HydrophobicContact CE2-CD1 4.14Å; Y144-L347 HydrophobicContact CE2-CD2 4.4Å
145A96Very high96.9Very high24 Ų2419.9 Ų19.920%0.19812%0.124CC..Hα-helixtrans-57.6-27.6174.400000112.7L141 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.28Å; L143-A145 PolarHBondContact O-N 3.05Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-S339 VanDerWaalsContact CB-O 3.24Å; A145-S339 WeakPolarHBondContact CB-O 3.44Å; A145-I342 HydrophobicContact CB-CB 4.14Å; A145-I342 HydrophobicContact CB-CG2 3.93Å
146S94.6Very high96.9Very high22 Ų2219.9 Ų19.915%0.15412%0.124CC..THydrogen-bonded Turntrans-84.3-0.1176.287.20000114S142 L143 Y144 R148S142-S146 PolarHBondContact O-N 3.27Å; L143-S146 WeakPolarHBondContact O-CB 3.26Å; L143-S146 PolarHBondContact O-N 3.29Å; L143-S146 PolarHBondContact O-OG 2.94Å; Y144-S146 PolarHBondContact O-N 3.05Å; Y144-S146 VanDerWaalsContact O-N 3.12Å; S146-R148 VanDerWaalsContact CB-NH1 3.29Å; S146-R148 PolarHBondContact O-NH1 3.16Å; S146-R148 WeakPolarHBondContact OG-CD 3.31Å; S146-R148 PolarHBondContact OG-NH1 2.84Å
147G93.7Very high96.9Very high71 Ų7120.4 Ų20.473%0.73213%0.131SC*.THydrogen-bonded Turntrans73.231.6-175.800000113.7Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.49Å; Y144-G147 PolarHBondContact O-N 2.87Å; A145-G147 VanDerWaalsContact C-N 3.29Å
148R95.1Very high96.9Very high56 Ų5621.3 Ų21.321%0.21114%0.136CC..  trans-126.1150.2-177-67.6175.3-179.664.717.8111.4L143 Y144 S146 N297L143-R148 CarbonylContact C-O 3.57Å; L143-R148 HydrophobicContact CD1-CB 3.73Å; L143-R148 HydrophobicContact CG-CB 3.87Å; L143-R148 WeakPolarHBondContact CG-O 3.42Å; L143-R148 PolarHBondContact O-N 3.48Å; Y144-R148 WeakPolarHBondContact CD1-O 3.36Å; S146-R148 VanDerWaalsContact CB-NH1 3.29Å; S146-R148 PolarHBondContact O-NH1 3.16Å; S146-R148 WeakPolarHBondContact OG-CD 3.31Å; S146-R148 PolarHBondContact OG-NH1 2.84Å; R148-N297 WeakPolarHBondContact CD-OD1 3.47Å; R148-N297 PolarHBondContact NE-OD1 3.26Å
149T94.7Very high96.9Very high78 Ų7820.7 Ų20.748%0.47913%0.134SC..SBendtrans-114.5-17.1172.355.90000112.6Y144 E168 G169Y144-T149 HydrophobicContact CE1-CG2 4.16Å; T149-E168 PolarHBondContact O-N 3.24Å; T149-G169 PolarHBondContact O-N 3.04Å
150T97.7Very high96.9Very high23 Ų2321 Ų2114%0.14114%0.136CC..SBendtrans-126.8134.9176.3-61.60000109.8I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.32Å; T150-Y167 HydrophobicContact CG2-CD2 3.74Å; T150-Y167 HydrophobicContact CG2-CE2 4.31Å; T150-E168 PolarHBondContact OG1-N 3.16Å; T150-D293 HydrophobicContact CG2-CB 3.86Å
151G98.4Very high97Very high0 Ų020.3 Ų20.30%013%0.132CC..EExtended strand (participates in β ladder)trans160.1-179.3-178.800000111.4I166 L294 N297G151-I166 PolarHBondContact N-O 2.81Å; G151-I166 PolarHBondContact O-N 3.1Å; G151-L294 VanDerWaalsContact C-CD2 3.46Å; G151-L294 VanDerWaalsContact O-CD2 3.3Å; G151-L294 WeakPolarHBondContact O-CD2 3.24Å; G151-N297 VanDerWaalsContact CA-O 3.3Å; G151-N297 WeakPolarHBondContact CA-O 3.49Å
152I98.8Very high97Very high0 Ų020.4 Ų20.40%013%0.132CC..EExtended strand (participates in β ladder)trans-117.1135.3171-174.3167000109.1P165 T279 S282 I283 N297 T298 V299I152-P165 HydrophobicContact CD1-CB 4.3Å; I152-P165 HydrophobicContact CG1-CB 4.3Å; I152-T279 HydrophobicContact CD1-CG2 3.98Å; I152-T279 HydrophobicContact CG1-CG2 4.5Å; I152-T279 HydrophobicContact CG2-CG2 4.22Å; I152-S282 WeakPolarHBondContact CD1-OG 3.49Å; I152-I283 HydrophobicContact CD1-CD1 4.4Å; I152-I283 HydrophobicContact CD1-CG1 3.66Å; I152-I283 HydrophobicContact CG2-CD1 4.04Å; I152-I283 HydrophobicContact CG2-CG1 4.22Å; I152-N297 PolarHBondContact N-O 2.84Å; I152-T298 HydrophobicContact CG2-CG2 4.1Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.32Å; I152-T298 CarbonylContact O-C 3.58Å; I152-T298 WeakPolarHBondContact O-CA 3.35Å; I152-V299 PolarHBondContact O-N 2.99Å
153V98.8Very high97Very high0 Ų020.4 Ų20.40%013%0.132CC..EExtended strand (participates in β ladder)trans-105.8124.4177.6178.80000109A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 3.99Å; A139-V153 HydrophobicContact CB-CG1 4Å; A139-V153 WeakPolarHBondContact O-CG2 3.33Å; L143-V153 HydrophobicContact CB-CG2 3.85Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; V153-D155 HydrophobicContact CG1-CB 4.2Å; V153-T163 CarbonylContact O-C 3.59Å; V153-T163 VanDerWaalsContact O-CA 3.3Å; V153-T163 WeakPolarHBondContact O-CA 3.36Å; V153-V164 PolarHBondContact N-O 3.11Å; V153-V164 PolarHBondContact O-N 2.7Å; V153-I166 HydrophobicContact CG2-CD1 3.93Å; V153-V299 CarbonylContact C-O 3.5Å; V153-V299 WeakPolarHBondContact CA-O 3.32Å; V153-V299 HydrophobicContact CG2-CB 4.25Å
154L98.8Very high97.1Very high0 Ų020.4 Ų20.40%013%0.132CC..EExtended strand (participates in β ladder)trans-92.399.8161.3173.364.2000107.2T161 H162 T163 I275 V299 L300 S301 M314L154-T161 HydrophobicContact CD1-CG2 3.53Å; L154-H162 WeakPolarHBondContact CA-O 3.25Å; L154-T163 HydrophobicContact CD1-CG2 3.74Å; L154-I275 HydrophobicContact CD1-CB 4.15Å; L154-I275 HydrophobicContact CD1-CG2 4.29Å; L154-I275 HydrophobicContact CD2-CB 3.98Å; L154-I275 HydrophobicContact CD2-CD1 3.89Å; L154-I275 HydrophobicContact CD2-CG1 4.34Å; L154-V299 PolarHBondContact N-O 3.05Å; L154-L300 HydrophobicContact CB-CD2 4.01Å; L154-L300 HydrophobicContact CD2-CD2 3.94Å; L154-L300 HydrophobicContact CG-CD2 4.4Å; L154-S301 PolarHBondContact O-N 3.17Å; L154-M314 HydrophobicContact CD2-CE 3.61Å; L154-M314 HydrophobicContact CD2-SD 4.12Å
155D98.4Very high97.3Very high12 Ų1217.2 Ų17.26%0.06412%0.119CC..EExtended strand (participates in β ladder)trans-97.2118.5174.4-164.5-68.1000109.4V153 T161 H162 S301V153-D155 HydrophobicContact CG1-CB 4.2Å; D155-T161 CarbonylContact O-C 3.59Å; D155-T161 VanDerWaalsContact O-CA 3.25Å; D155-T161 WeakPolarHBondContact O-CA 3.39Å; D155-H162 PolarHBondContact N-O 2.97Å; D155-H162 PolarHBondContact O-N 2.93Å; D155-S301 WeakPolarHBondContact CA-O 3.49Å; D155-S301 VanDerWaalsContact OD2-CB 3.26Å; D155-S301 WeakPolarHBondContact OD2-CB 3.26Å; D155-S301 PolarHBondContact OD2-OG 3.3Å
156S98.5Very high97.5Very high1 Ų116 Ų161%0.00711%0.11CC..EExtended strand (participates in β ladder)trans-128.5104.7177.7-169.30000110.4T161 S301 G302 G303 S304S156-T161 WeakPolarHBondContact CB-OG1 3.49Å; S156-T161 PolarHBondContact OG-OG1 3.14Å; S156-S301 PolarHBondContact N-O 3.26Å; S156-G302 CarbonylContact O-C 3.57Å; S156-G302 WeakPolarHBondContact O-CA 3.39Å; S156-G303 PolarHBondContact O-N 3.09Å; S156-S304 WeakPolarHBondContact O-CB 3.47Å; S156-S304 PolarHBondContact O-N 3.18Å; S156-S304 VanDerWaalsContact OG-CB 3.24Å; S156-S304 WeakPolarHBondContact OG-CB 3.48Å
157G97.4Very high97.6Very high20 Ų2018.8 Ų18.821%0.20612%0.118CC..  trans-92.7-149.8-177.200000113.7V160 A182 G183 S304G157-V160 PolarHBondContact N-O 3.18Å; G157-A182 WeakPolarHBondContact O-CB 3.21Å; G157-G183 PolarHBondContact O-N 2.8Å; G157-G183 VanDerWaalsContact O-N 3.11Å; G157-S304 PolarHBondContact O-OG 3.44Å
158D97Very high97.6Very high38 Ų3821 Ų2120%0.20311%0.109CC..SBendtrans-83.7-37.9170.5-176.861.8000111.9G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.49Å; D158-A182 VanDerWaalsContact O-CB 3.31Å; D158-A182 WeakPolarHBondContact O-CB 3.41Å; D158-G183 PolarHBondContact O-N 3.04Å; D158-G183 VanDerWaalsContact O-N 3.14Å; D158-R184 VanDerWaalsContact O-CB 3.26Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.21Å; D158-R184 PolarHBondContact OD1-N 3.13Å; D158-R184 IonicContact OD2-CZ 2.79Å; D158-R184 IonicContact OD2-NE 3.43Å; D158-R184 PolarHBondContact OD2-NE 2.93Å; D158-R184 IonicContact OD2-NH2 3.42Å; D158-R184 PolarHBondContact OD2-NH2 2.66Å
159G96.5Very high97.5Very high4 Ų418.9 Ų18.94%0.04110%0.104CC..SBendtrans-102.1-23.4-171.900000115.4H74 A182H74-G159 WeakPolarHBondContact CA-O 3.09Å; H74-G159 PolarHBondContact CD2-O 2.91Å; G159-A182 VanDerWaalsContact C-CB 3.47Å
160V97.5Very high97.5Very high7 Ų723 Ų234%0.04211%0.112CC..  trans-160.2154.9-172.959.60000111.1H74 G157 H162 R178H74-V160 HydrophobicContact CB-CB 4.29Å; G157-V160 PolarHBondContact N-O 3.18Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.42Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.24Å; V160-R178 HydrophobicContact CG2-CG 3.92Å
161T98.5Very high97.4Very high3 Ų322.7 Ų22.72%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-117136.8171.5-61.20000110.7L154 D155 S156 L179 L181 I275L154-T161 HydrophobicContact CD1-CG2 3.53Å; D155-T161 CarbonylContact O-C 3.59Å; D155-T161 VanDerWaalsContact O-CA 3.25Å; D155-T161 WeakPolarHBondContact O-CA 3.39Å; S156-T161 WeakPolarHBondContact CB-OG1 3.49Å; S156-T161 PolarHBondContact OG-OG1 3.14Å; T161-L179 PolarHBondContact N-O 2.91Å; T161-L179 PolarHBondContact O-N 2.89Å; T161-L181 WeakPolarHBondContact CB-O 3.44Å; T161-L181 PolarHBondContact OG1-O 2.76Å; T161-I275 HydrophobicContact CG2-CG2 3.92Å
162H98Very high97.4Very high2 Ų224.2 Ų24.21%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-131.8146.4177.5-58.8102.9000111.4P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 3.82Å; P110-H162 VanDerWaalsContact CG-CD2 3.49Å; P110-H162 WeakPolarHBondContact CG-CD2 3.3Å; P110-H162 VanDerWaalsContact CG-CG 3.49Å; L154-H162 WeakPolarHBondContact CA-O 3.25Å; D155-H162 PolarHBondContact N-O 2.97Å; D155-H162 PolarHBondContact O-N 2.93Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.42Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.24Å; H162-V164 HydrophobicContact CB-CG2 4.08Å; H162-L177 WeakPolarHBondContact CA-O 3.41Å
163T98.6Very high97.2Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-113.7116.716560.90000108.6V153 L154 I176 L177 T278 T279 S282V153-T163 CarbonylContact O-C 3.59Å; V153-T163 VanDerWaalsContact O-CA 3.3Å; V153-T163 WeakPolarHBondContact O-CA 3.36Å; L154-T163 HydrophobicContact CD1-CG2 3.74Å; T163-I176 WeakPolarHBondContact O-CA 3.34Å; T163-L177 PolarHBondContact N-O 2.77Å; T163-L177 PolarHBondContact O-N 2.77Å; T163-L177 VanDerWaalsContact O-N 3.12Å; T163-L177 WeakPolarHBondContact OG1-CB 3.18Å; T163-T278 HydrophobicContact CG2-CG2 3.86Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.41Å; T163-S282 VanDerWaalsContact OG1-CB 3.28Å; T163-S282 WeakPolarHBondContact OG1-CB 3.44Å
164V98.6Very high97.1Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-121.9104-173-173.50000108.9P110 A139 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.06Å; P110-V164 HydrophobicContact CG-CG2 3.76Å; A139-V164 HydrophobicContact CB-CB 3.53Å; A139-V164 HydrophobicContact CB-CG1 3.94Å; A139-V164 HydrophobicContact CB-CG2 3.49Å; A139-V164 VanDerWaalsContact CB-CG2 3.49Å; V153-V164 PolarHBondContact N-O 3.11Å; V153-V164 PolarHBondContact O-N 2.7Å; H162-V164 HydrophobicContact CB-CG2 4.08Å; V164-I166 HydrophobicContact CG1-CD1 4.34Å; V164-I166 HydrophobicContact CG1-CG1 4Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; V164-I176 HydrophobicContact CG1-CD1 4.07Å; V164-I176 HydrophobicContact CG1-CG1 4.11Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å
165P98.7Very high97.1Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-77.5133.8172.227.4-23.9000109.1I152 L172 A175 S282 L294I152-P165 HydrophobicContact CD1-CB 4.3Å; I152-P165 HydrophobicContact CG1-CB 4.3Å; P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.21Å; P165-L172 PolarHBondContact O-N 2.98Å; P165-A175 HydrophobicContact CG-CB 3.51Å; P165-S282 WeakPolarHBondContact CD-OG 3.47Å; P165-S282 WeakPolarHBondContact CG-OG 3.49Å; P165-L294 HydrophobicContact CB-CD1 4.05Å; P165-L294 HydrophobicContact CB-CD2 4.28Å
166I98.4Very high97.1Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-130.9132.3-173.9-60154.9000107.5V140 L143 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.46Å; V140-I166 HydrophobicContact CG2-CD1 4.08Å; V140-I166 HydrophobicContact CG2-CG1 4.23Å; L143-I166 HydrophobicContact CB-CD1 3.91Å; L143-I166 HydrophobicContact CD2-CB 3.67Å; L143-I166 HydrophobicContact CD2-CD1 3.75Å; L143-I166 HydrophobicContact CD2-CG1 4.33Å; L143-I166 HydrophobicContact CD2-CG2 3.62Å; L143-I166 HydrophobicContact CG-CD1 4.42Å; T150-I166 WeakPolarHBondContact CA-O 3.32Å; G151-I166 PolarHBondContact N-O 2.81Å; G151-I166 PolarHBondContact O-N 3.1Å; V153-I166 HydrophobicContact CG2-CD1 3.93Å; V164-I166 HydrophobicContact CG1-CD1 4.34Å; V164-I166 HydrophobicContact CG1-CG1 4Å; I166-Y170 CarbonylContact C-O 3.48Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.41Å; I166-A171 HydrophobicContact CG1-CB 4.38Å
167Y97.3Very high97.1Very high80 Ų8035.6 Ų35.631%0.31418%0.181SC..EExtended strand (participates in β ladder)trans-128.6123.8178-176.4-95.1000109.2T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.74Å; T150-Y167 HydrophobicContact CG2-CE2 4.31Å; Y167-G169 PolarHBondContact O-N 3.08Å; Y167-G169 VanDerWaalsContact O-N 3.11Å; Y167-Y170 PolarHBondContact N-O 3Å; Y167-Y170 PolarHBondContact O-N 3.16Å; Y167-I290 HydrophobicContact CD2-CB 4.04Å; Y167-I290 HydrophobicContact CD2-CD1 4.34Å; Y167-I290 HydrophobicContact CD2-CG2 3.58Å; Y167-I290 HydrophobicContact CE2-CB 4.26Å; Y167-I290 HydrophobicContact CE2-CG2 3.47Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.47Å; Y167-I290 HydrophobicContact CG-CG2 4.38Å
168E94.7Very high97Very high118 Ų11839 Ų3955%0.55119%0.188SC*.THydrogen-bonded Turntrans5136.2-179.7-66.5179.8-172.100113.8T149 T150 Y170T149-E168 PolarHBondContact O-N 3.24Å; T150-E168 PolarHBondContact OG1-N 3.16Å; E168-Y170 WeakPolarHBondContact O-CD2 3.43Å
169G92.5Very high97Very high11 Ų1137.8 Ų37.811%0.11318%0.181CC..THydrogen-bonded Turntrans88.7-7.1-179.800000115.1T149 Y167T149-G169 PolarHBondContact O-N 3.04Å; Y167-G169 PolarHBondContact O-N 3.08Å; Y167-G169 VanDerWaalsContact O-N 3.11Å
170Y93.8Very high96.9Very high164 Ų16440.8 Ų40.864%0.64320%0.196SC*.EExtended strand (participates in β ladder)trans-101.8124.2-179.9-60.9-85.1000111.1I166 Y167 E168I166-Y170 CarbonylContact C-O 3.48Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.41Å; Y167-Y170 PolarHBondContact N-O 3Å; Y167-Y170 PolarHBondContact O-N 3.16Å; E168-Y170 WeakPolarHBondContact O-CD2 3.43Å
171A96.7Very high96.9Very high17 Ų1740.4 Ų40.414%0.1419%0.194CC..EExtended strand (participates in β ladder)trans-65141.8169.700000109.9I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.17Å; V140-A171 HydrophobicContact CG2-CB 4.07Å; V164-A171 HydrophobicContact CG1-CB 3.86Å; I166-A171 HydrophobicContact CG1-CB 4.38Å; A171-P173 WeakPolarHBondContact O-CD 3.3Å; A171-I176 HydrophobicContact CB-CD1 4.48Å
172L97.1Very high96.9Very high32 Ų3240.3 Ų40.317%0.16819%0.193CC..  trans-97.695.3179.9-57.4176.9000110P165 H174 A175 I176 I290P165-L172 HydrophobicContact CB-CD1 4.29Å; P165-L172 HydrophobicContact CG-CB 4.21Å; P165-L172 PolarHBondContact O-N 2.98Å; L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.49Å; L172-H174 VanDerWaalsContact O-N 3.16Å; L172-A175 HydrophobicContact CB-CB 4.46Å; L172-A175 PolarHBondContact O-N 3.45Å; L172-I176 PolarHBondContact O-N 2.75Å; L172-I290 HydrophobicContact CD1-CD1 3.49Å; L172-I290 VanDerWaalsContact CD1-CD1 3.49Å
173P96Very high96.9Very high87 Ų8740.2 Ų40.257%0.56519%0.193SC*.G310 helixtrans-64.8-32.4-162.8-23.436.9000113.9A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-A175 PolarHBondContact O-N 3.33Å; P173-I176 PolarHBondContact O-N 3.47Å
174H96.5Very high96.9Very high117 Ų11742.5 Ų42.554%0.54220%0.202SC..G310 helixtrans-66.7-20.3179.265-87.5000113.5L172L172-H174 VanDerWaalsContact C-N 3.3Å; L172-H174 PolarHBondContact O-N 3.49Å; L172-H174 VanDerWaalsContact O-N 3.16Å
175A98.1Very high96.8Very high0 Ų044.4 Ų44.40%021%0.212CC..G310 helixtrans-109.42.1-177.300000113P165 L172 P173 L177 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.51Å; L172-A175 HydrophobicContact CB-CB 4.46Å; L172-A175 PolarHBondContact O-N 3.45Å; P173-A175 PolarHBondContact O-N 3.33Å; A175-L177 PolarHBondContact O-N 3.23Å; A175-S282 WeakPolarHBondContact O-CB 3.27Å; A175-S282 PolarHBondContact O-OG 3.07Å; A175-K285 HydrophobicContact CB-CB 3.7Å; A175-C286 VanDerWaalsContact CB-SG 3.55Å
176I98.4Very high96.8Very high15 Ų1544.4 Ų44.48%0.07721%0.212CC..  trans-69.9129.5171.8-60.9178.2000109P110 L111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 3.89Å; P110-I176 HydrophobicContact CB-CG2 4.02Å; P110-I176 HydrophobicContact CG-CG2 4.18Å; L111-I176 HydrophobicContact CD1-CB 4.41Å; L111-I176 HydrophobicContact CD1-CG2 4.03Å; L111-I176 HydrophobicContact CD2-CD1 4.36Å; L111-I176 HydrophobicContact CG-CG2 4.2Å; T163-I176 WeakPolarHBondContact O-CA 3.34Å; V164-I176 HydrophobicContact CG1-CD1 4.07Å; V164-I176 HydrophobicContact CG1-CG1 4.11Å; V164-I176 HydrophobicContact CG2-CG2 4.27Å; A171-I176 HydrophobicContact CB-CD1 4.48Å; L172-I176 PolarHBondContact O-N 2.75Å; P173-I176 PolarHBondContact O-N 3.47Å
177L98.2Very high96.8Very high33 Ų3344.4 Ų44.417%0.17321%0.212CC..EExtended strand (participates in β ladder)trans-117143.8170.3-56.6179000109.8H162 T163 A175 T278 N281 K285H162-L177 WeakPolarHBondContact CA-O 3.41Å; T163-L177 PolarHBondContact N-O 2.77Å; T163-L177 PolarHBondContact O-N 2.77Å; T163-L177 VanDerWaalsContact O-N 3.12Å; T163-L177 WeakPolarHBondContact OG1-CB 3.18Å; A175-L177 PolarHBondContact O-N 3.23Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.99Å; L177-T278 WeakPolarHBondContact CD1-O 3.3Å; L177-N281 HydrophobicContact CD1-CB 3.72Å; L177-K285 HydrophobicContact CD2-CD 4.13Å; L177-K285 VanDerWaalsContact CD2-NZ 3.31Å
178R96.2Very high96.9Very high92 Ų9244 Ų4435%0.34722%0.215SC..EExtended strand (participates in β ladder)trans-120.6137.6-179.6173.8174.1164.9151.9-1.8108.8H74 V160 D180H74-R178 PolarHBondContact O-NH1 2.92Å; H74-R178 PolarHBondContact O-NH2 3.11Å; V160-R178 HydrophobicContact CG2-CG 3.92Å; R178-D180 IonicContact CZ-OD1 3.48Å; R178-D180 IonicContact NE-OD1 3.87Å; R178-D180 PolarHBondContact NE-OD1 2.92Å; R178-D180 IonicContact NE-OD2 2.74Å; R178-D180 IonicContact NH2-OD1 3.24Å; R178-D180 PolarHBondContact NH2-OD1 3.36Å; R178-D180 IonicContact NH2-OD2 2.81Å
179L96.4Very high97Very high11 Ų1139 Ų396%0.05819%0.192CC..EExtended strand (participates in β ladder)trans-129.2114.9173.7179.869.3000107.7T161 L181 M270 A272 I275T161-L179 PolarHBondContact N-O 2.91Å; T161-L179 PolarHBondContact O-N 2.89Å; L179-L181 HydrophobicContact CD1-CB 4.32Å; L179-L181 HydrophobicContact CD2-CB 3.86Å; L179-L181 HydrophobicContact CD2-CD2 4.16Å; L179-L181 HydrophobicContact CD2-CG 4.45Å; L179-L181 HydrophobicContact CG-CB 3.7Å; L179-L181 PolarHBondContact O-N 3.21Å; L179-M270 HydrophobicContact CD1-CE 4.44Å; L179-A272 HydrophobicContact CD1-CB 3.53Å; L179-I275 HydrophobicContact CD2-CG2 4.25Å
180D95.3Very high97.3Very high67 Ų6738.5 Ų38.536%0.35819%0.186SC..SBendtrans-76.756.8174.8-70.3-21000110.3R178 M270R178-D180 IonicContact CZ-OD1 3.48Å; R178-D180 IonicContact NE-OD1 3.87Å; R178-D180 PolarHBondContact NE-OD1 2.92Å; R178-D180 IonicContact NE-OD2 2.74Å; R178-D180 IonicContact NH2-OD1 3.24Å; R178-D180 PolarHBondContact NH2-OD1 3.36Å; R178-D180 IonicContact NH2-OD2 2.81Å; D180-M270 WeakPolarHBondContact O-CE 3.41Å
181L97.8Very high97.5Very high0 Ų032.1 Ų32.10%016%0.162CC..  trans-140.8120.9175.9173.254.7000108.4T161 L179 D185 L186 A261 L262 P265 L268 M270T161-L181 WeakPolarHBondContact CB-O 3.44Å; T161-L181 PolarHBondContact OG1-O 2.76Å; L179-L181 HydrophobicContact CD1-CB 4.32Å; L179-L181 HydrophobicContact CD2-CB 3.86Å; L179-L181 HydrophobicContact CD2-CD2 4.16Å; L179-L181 HydrophobicContact CD2-CG 4.45Å; L179-L181 HydrophobicContact CG-CB 3.7Å; L179-L181 PolarHBondContact O-N 3.21Å; L181-D185 WeakPolarHBondContact CA-OD2 3.32Å; L181-D185 HydrophobicContact CD1-CB 3.65Å; L181-L186 HydrophobicContact CD1-CD2 4.42Å; L181-A261 VanDerWaalsContact CD2-O 3.24Å; L181-A261 WeakPolarHBondContact CD2-O 3.36Å; L181-L262 HydrophobicContact CD2-CD2 4.4Å; L181-L262 HydrophobicContact CG-CD2 4.16Å; L181-P265 HydrophobicContact CD2-CB 4.03Å; L181-P265 HydrophobicContact CD2-CG 3.96Å; L181-L268 HydrophobicContact CD1-CD1 3.19Å; L181-L268 HydrophobicContact CD2-CD1 4.18Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.13Å; L181-M270 HydrophobicContact CD1-SD 4.26Å; L181-M270 HydrophobicContact CD2-SD 4.38Å; L181-M270 HydrophobicContact CG-SD 4.48Å
182A98.2Very high97.6Very high0 Ų037 Ų370%018%0.18CC..SBendtrans-159.3-161.7-178.300000112.7G157 D158 G159 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.21Å; D158-A182 VanDerWaalsContact O-CB 3.31Å; D158-A182 WeakPolarHBondContact O-CB 3.41Å; G159-A182 VanDerWaalsContact C-CB 3.47Å; A182-R184 PolarHBondContact O-N 3.14Å; A182-R184 VanDerWaalsContact O-N 3.13Å; A182-D185 PolarHBondContact N-OD2 3.33Å; A182-D185 PolarHBondContact O-N 2.82Å; A182-L186 WeakPolarHBondContact O-CG 3.45Å; A182-L186 PolarHBondContact O-N 2.93Å
183G98.1Very high97.6Very high1 Ų135.4 Ų35.41%0.0117%0.172CC..Hα-helixtrans-54.9-33.5-172.500000114.9G157 D158 T187 K214 S304G157-G183 PolarHBondContact O-N 2.8Å; G157-G183 VanDerWaalsContact O-N 3.11Å; D158-G183 PolarHBondContact O-N 3.04Å; D158-G183 VanDerWaalsContact O-N 3.14Å; G183-T187 PolarHBondContact O-N 3.16Å; G183-T187 PolarHBondContact O-OG1 2.86Å; G183-K214 PolarHBondContact O-NZ 2.99Å; G183-S304 WeakPolarHBondContact CA-OG 3.42Å; G183-S304 PolarHBondContact N-OG 2.8Å; G183-S304 VanDerWaalsContact N-OG 3.16Å
184R97.2Very high97.7Very high47 Ų4731.3 Ų31.318%0.17715%0.145CC..Hα-helixtrans-67.5-50.3179.3-169.2171.6-63.7-174.24.4111.2S15 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 3.32Å; S15-R184 VanDerWaalsContact O-NH2 3.12Å; D158-R184 VanDerWaalsContact O-CB 3.26Å; D158-R184 WeakPolarHBondContact O-CB 3.39Å; D158-R184 PolarHBondContact O-N 3.21Å; D158-R184 PolarHBondContact OD1-N 3.13Å; D158-R184 IonicContact OD2-CZ 2.79Å; D158-R184 IonicContact OD2-NE 3.43Å; D158-R184 PolarHBondContact OD2-NE 2.93Å; D158-R184 IonicContact OD2-NH2 3.42Å; D158-R184 PolarHBondContact OD2-NH2 2.66Å; A182-R184 PolarHBondContact O-N 3.14Å; A182-R184 VanDerWaalsContact O-N 3.13Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 3.47Å; R184-T187 WeakPolarHBondContact O-CA 3.18Å; R184-T187 VanDerWaalsContact O-CB 3.27Å; R184-T187 WeakPolarHBondContact O-CB 3.41Å; R184-T187 PolarHBondContact O-N 2.95Å; R184-D188 PolarHBondContact O-N 2.78Å; R184-D188 VanDerWaalsContact O-N 3.1Å; R184-R207 PolarHBondContact O-NH2 2.65Å; R184-R207 VanDerWaalsContact O-NH2 3.1Å
185D98.1Very high97.8Very high41 Ų4128.8 Ų28.822%0.21914%0.139CC..Hα-helixtrans-63.5-39.7178.6-45.1-72.2000111.1L181 A182 T187 D188 Y189 L268L181-D185 WeakPolarHBondContact CA-OD2 3.32Å; L181-D185 HydrophobicContact CD1-CB 3.65Å; A182-D185 PolarHBondContact N-OD2 3.33Å; A182-D185 PolarHBondContact O-N 2.82Å; D185-T187 PolarHBondContact O-N 3.35Å; D185-D188 PolarHBondContact O-N 2.95Å; D185-Y189 WeakPolarHBondContact O-CB 3.48Å; D185-Y189 PolarHBondContact O-N 3.17Å; D185-L268 HydrophobicContact CB-CD1 4.49Å
186L98.6Very high97.6Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-63-32.8174.5-64.6-177.4000112.3L181 A182 R184 M190 K214 C258 A261 L262 Y307L181-L186 HydrophobicContact CD1-CD2 4.42Å; A182-L186 WeakPolarHBondContact O-CG 3.45Å; A182-L186 PolarHBondContact O-N 2.93Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 3.47Å; L186-M190 VanDerWaalsContact O-CB 3.31Å; L186-M190 WeakPolarHBondContact O-CB 3.39Å; L186-M190 PolarHBondContact O-N 3.4Å; L186-K214 HydrophobicContact CB-CD 3.87Å; L186-C258 WeakPolarHBondContact CD2-O 3.05Å; L186-C258 PolarHBondContact O-SG 2.92Å; L186-A261 HydrophobicContact CD2-CB 3.8Å; L186-L262 HydrophobicContact CD1-CD1 3.98Å; L186-L262 HydrophobicContact CD1-CD2 4.08Å; L186-L262 HydrophobicContact CD1-CG 3.89Å; L186-L262 HydrophobicContact CD2-CG 4.35Å; L186-Y307 HydrophobicContact CD1-CE2 3.84Å; L186-Y307 WeakPolarHBondContact CD1-OH 3.36Å
187T98.3Very high97.4Very high0 Ų037.1 Ų37.10%017%0.174CC..Hα-helixtrans-67.8-44.4174.8-53.60000110.5G183 R184 D185 Y189 M190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 3.16Å; G183-T187 PolarHBondContact O-OG1 2.86Å; R184-T187 WeakPolarHBondContact O-CA 3.18Å; R184-T187 VanDerWaalsContact O-CB 3.27Å; R184-T187 WeakPolarHBondContact O-CB 3.41Å; R184-T187 PolarHBondContact O-N 2.95Å; D185-T187 PolarHBondContact O-N 3.35Å; T187-Y189 VanDerWaalsContact C-N 3.31Å; T187-Y189 PolarHBondContact O-N 2.91Å; T187-M190 WeakPolarHBondContact O-CB 3.46Å; T187-M190 PolarHBondContact O-N 3.25Å; T187-M191 WeakPolarHBondContact O-CG 3.37Å; T187-M191 PolarHBondContact O-N 3.17Å; T187-R207 HydrophobicContact CG2-CG 4.07Å; T187-V210 HydrophobicContact CG2-CG1 4.33Å; T187-R211 HydrophobicContact CG2-CB 3.86Å; T187-K214 WeakPolarHBondContact OG1-CE 3.26Å; T187-K214 PolarHBondContact OG1-NZ 3.2Å
188D97.6Very high97.3Very high70 Ų7038.5 Ų38.537%0.37420%0.196SC..Hα-helixtrans-66.8-36.6178.6-61.6-30.4000111.2R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 2.78Å; R184-D188 VanDerWaalsContact O-N 3.1Å; D185-D188 PolarHBondContact O-N 2.95Å; D188-M191 WeakPolarHBondContact O-CB 3.36Å; D188-M191 PolarHBondContact O-N 3Å; D188-K192 PolarHBondContact O-N 2.86Å; D188-K192 VanDerWaalsContact O-N 3.12Å; D188-R207 VanDerWaalsContact CG-NH2 3.31Å; D188-R207 IonicContact OD1-CZ 2.76Å; D188-R207 IonicContact OD1-NE 3.29Å; D188-R207 PolarHBondContact OD1-NE 3.19Å; D188-R207 IonicContact OD1-NH2 2.92Å; D188-R207 PolarHBondContact OD1-NH2 2.92Å; D188-R207 IonicContact OD2-NH2 3.83Å; D188-R207 PolarHBondContact OD2-NH2 3.07Å
189Y98.3Very high97.3Very high15 Ų1537 Ų376%0.05919%0.191CC..Hα-helixtrans-64.9-42171.6-175.6-140000112.6D185 T187 M191 K192 I193 R257 A261 F267 L268D185-Y189 WeakPolarHBondContact O-CB 3.48Å; D185-Y189 PolarHBondContact O-N 3.17Å; T187-Y189 VanDerWaalsContact C-N 3.31Å; T187-Y189 PolarHBondContact O-N 2.91Å; Y189-M191 VanDerWaalsContact C-N 3.27Å; Y189-M191 PolarHBondContact O-N 3.38Å; Y189-K192 HydrophobicContact CD2-CD 4.49Å; Y189-K192 WeakPolarHBondContact O-CB 3.5Å; Y189-K192 PolarHBondContact O-N 3.29Å; Y189-K192 VanDerWaalsContact O-N 3.1Å; Y189-I193 HydrophobicContact CD2-CG2 3.93Å; Y189-I193 HydrophobicContact CE1-CD1 4.41Å; Y189-I193 HydrophobicContact CE1-CG2 4.49Å; Y189-I193 HydrophobicContact CE2-CG2 3.36Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.45Å; Y189-R257 WeakPolarHBondContact CE1-O 3.31Å; Y189-A261 HydrophobicContact CD1-CB 3.96Å; Y189-A261 HydrophobicContact CE1-CB 4Å; Y189-F267 HydrophobicContact CE1-CB 4.38Å; Y189-L268 HydrophobicContact CD1-CD2 3.82Å; Y189-L268 HydrophobicContact CD2-CD2 3.56Å; Y189-L268 HydrophobicContact CE2-CD2 4.32Å; Y189-L268 HydrophobicContact CG-CD2 3.3Å
190M98.4Very high97.3Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-59.3-41.2175-170.462173.200110.8L186 T187 K192 I193 L194 V210 I213 K214 I251 E254 C258L186-M190 VanDerWaalsContact O-CB 3.31Å; L186-M190 WeakPolarHBondContact O-CB 3.39Å; L186-M190 PolarHBondContact O-N 3.4Å; T187-M190 WeakPolarHBondContact O-CB 3.46Å; T187-M190 PolarHBondContact O-N 3.25Å; M190-K192 VanDerWaalsContact C-N 3.31Å; M190-K192 PolarHBondContact O-N 3.48Å; M190-I193 WeakPolarHBondContact O-CG1 3.41Å; M190-I193 PolarHBondContact O-N 3.14Å; M190-I193 HydrophobicContact SD-CD1 3.87Å; M190-I193 HydrophobicContact SD-CG1 4.04Å; M190-L194 HydrophobicContact CE-CD1 4.11Å; M190-L194 HydrophobicContact CE-CD2 4Å; M190-L194 HydrophobicContact CE-CG 4.08Å; M190-L194 HydrophobicContact CG-CD1 3.9Å; M190-L194 HydrophobicContact CG-CG 4.26Å; M190-L194 VanDerWaalsContact O-CB 3.3Å; M190-L194 WeakPolarHBondContact O-CB 3.3Å; M190-L194 WeakPolarHBondContact O-CG 3.33Å; M190-L194 PolarHBondContact O-N 2.96Å; M190-L194 HydrophobicContact SD-CD1 4.49Å; M190-L194 HydrophobicContact SD-CG 4.32Å; M190-V210 HydrophobicContact CB-CG1 3.62Å; M190-V210 HydrophobicContact CG-CG1 3.55Å; M190-I213 HydrophobicContact CE-CG2 3.62Å; M190-K214 HydrophobicContact CG-CB 4.39Å; M190-I251 HydrophobicContact CE-CG2 3.68Å; M190-E254 HydrophobicContact CE-CB 3.89Å; M190-E254 HydrophobicContact SD-CB 3.99Å; M190-C258 HydrophobicContact SD-CB 3.78Å
191M98.2Very high97.3Very high29 Ų2937.6 Ų37.614%0.14320%0.199CC..Hα-helixtrans-58.9-43.3174.5-67.1175.967.300111.6T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CG 3.37Å; T187-M191 PolarHBondContact O-N 3.17Å; D188-M191 WeakPolarHBondContact O-CB 3.36Å; D188-M191 PolarHBondContact O-N 3Å; Y189-M191 VanDerWaalsContact C-N 3.27Å; Y189-M191 PolarHBondContact O-N 3.38Å; M191-T195 WeakPolarHBondContact O-CB 3.43Å; M191-T195 PolarHBondContact O-N 2.96Å; M191-T195 PolarHBondContact O-OG1 3.12Å; M191-F201 HydrophobicContact CE-CB 4.23Å; M191-F201 WeakPolarHBondContact CE-O 3.42Å; M191-R207 HydrophobicContact CE-CB 4.38Å; M191-R207 HydrophobicContact SD-CB 3.93Å; M191-R207 HydrophobicContact SD-CG 3.67Å; M191-V210 HydrophobicContact CB-CG1 4.43Å; M191-V210 HydrophobicContact CG-CB 3.83Å; M191-V210 HydrophobicContact CG-CG1 3.61Å; M191-V210 HydrophobicContact CG-CG2 3.85Å
192K97.7Very high97.1Very high119 Ų11942.9 Ų42.952%0.51723%0.231SC..Hα-helixtrans-62.1-52178.2-179.6-176.3171.7-173.10111.8D188 Y189 M190 L194 T195 E196D188-K192 PolarHBondContact O-N 2.86Å; D188-K192 VanDerWaalsContact O-N 3.12Å; Y189-K192 HydrophobicContact CD2-CD 4.49Å; Y189-K192 WeakPolarHBondContact O-CB 3.5Å; Y189-K192 PolarHBondContact O-N 3.29Å; Y189-K192 VanDerWaalsContact O-N 3.1Å; M190-K192 VanDerWaalsContact C-N 3.31Å; M190-K192 PolarHBondContact O-N 3.48Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 2.83Å; K192-T195 WeakPolarHBondContact O-CA 3.37Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.34Å; K192-T195 PolarHBondContact O-N 3.27Å; K192-T195 VanDerWaalsContact O-N 3.09Å; K192-E196 PolarHBondContact O-N 3.26Å
193I97.8Very high96.8Very high0 Ų045.9 Ų45.90%025%0.25CC..Hα-helixtrans-73.3-25.7-176.865.4-175.8000112.9Y189 M190 T195 E196 R197 E254 R257 C258Y189-I193 HydrophobicContact CD2-CG2 3.93Å; Y189-I193 HydrophobicContact CE1-CD1 4.41Å; Y189-I193 HydrophobicContact CE1-CG2 4.49Å; Y189-I193 HydrophobicContact CE2-CG2 3.36Å; Y189-I193 WeakPolarHBondContact O-CG1 3.38Å; Y189-I193 PolarHBondContact O-N 3.45Å; M190-I193 WeakPolarHBondContact O-CG1 3.41Å; M190-I193 PolarHBondContact O-N 3.14Å; M190-I193 HydrophobicContact SD-CD1 3.87Å; M190-I193 HydrophobicContact SD-CG1 4.04Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-E196 WeakPolarHBondContact O-CB 3.35Å; I193-E196 PolarHBondContact O-N 2.93Å; I193-R197 PolarHBondContact O-N 2.93Å; I193-E254 HydrophobicContact CB-CG 4.13Å; I193-E254 HydrophobicContact CD1-CB 3.67Å; I193-E254 HydrophobicContact CD1-CG 4.02Å; I193-E254 HydrophobicContact CG1-CB 3.87Å; I193-E254 HydrophobicContact CG1-CG 3.78Å; I193-R257 HydrophobicContact CD1-CB 4.29Å; I193-C258 HydrophobicContact CD1-CB 3.96Å
194L98.3Very high96.3Very high0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-67.4-36.5167.5-71.9173.9000111.6M190 K192 R197 G198 Y199 F201 V210 I213 I251 E254M190-L194 HydrophobicContact CE-CD1 4.11Å; M190-L194 HydrophobicContact CE-CD2 4Å; M190-L194 HydrophobicContact CE-CG 4.08Å; M190-L194 HydrophobicContact CG-CD1 3.9Å; M190-L194 HydrophobicContact CG-CG 4.26Å; M190-L194 VanDerWaalsContact O-CB 3.3Å; M190-L194 WeakPolarHBondContact O-CB 3.3Å; M190-L194 WeakPolarHBondContact O-CG 3.33Å; M190-L194 PolarHBondContact O-N 2.96Å; M190-L194 HydrophobicContact SD-CD1 4.49Å; M190-L194 HydrophobicContact SD-CG 4.32Å; K192-L194 VanDerWaalsContact C-N 3.34Å; K192-L194 PolarHBondContact O-N 2.83Å; L194-R197 WeakPolarHBondContact O-CB 3.46Å; L194-R197 PolarHBondContact O-N 2.78Å; L194-G198 PolarHBondContact O-N 2.82Å; L194-Y199 CarbonylContact C-O 3.15Å; L194-Y199 PolarHBondContact O-N 2.83Å; L194-F201 HydrophobicContact CB-CD2 4.34Å; L194-F201 HydrophobicContact CB-CE2 4.26Å; L194-F201 HydrophobicContact CD1-CD2 4.15Å; L194-F201 HydrophobicContact CD1-CE2 3.83Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 3.99Å; L194-I213 HydrophobicContact CD1-CD1 4.31Å; L194-I251 HydrophobicContact CD2-CD1 3.72Å; L194-I251 HydrophobicContact CD2-CG2 4.33Å; L194-E254 HydrophobicContact CD2-CG 4.42Å
195T97.7Very high96Very high65 Ų6549.8 Ų49.840%0.39928%0.284SS..Hα-helixtrans-65.7-39.2174.2-57.40000111.2M191 K192 I193 R197 G198 Y199M191-T195 WeakPolarHBondContact O-CB 3.43Å; M191-T195 PolarHBondContact O-N 2.96Å; M191-T195 PolarHBondContact O-OG1 3.12Å; K192-T195 WeakPolarHBondContact O-CA 3.37Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.34Å; K192-T195 PolarHBondContact O-N 3.27Å; K192-T195 VanDerWaalsContact O-N 3.09Å; I193-T195 VanDerWaalsContact C-N 3.33Å; T195-R197 PolarHBondContact O-N 2.95Å; T195-G198 WeakPolarHBondContact O-CA 3.31Å; T195-G198 PolarHBondContact O-N 2.99Å; T195-Y199 VanDerWaalsContact CA-O 3.32Å; T195-Y199 WeakPolarHBondContact CA-O 3.33Å; T195-Y199 PolarHBondContact N-O 3.45Å
196E95.6Very high95.8Very high108 Ų10850.6 Ų50.651%0.50529%0.287SS..Hα-helixtrans-57.1-35.5172.4-67.7168.7-167.900112.1K192 I193 G198 R257K192-E196 PolarHBondContact O-N 3.26Å; I193-E196 WeakPolarHBondContact O-CB 3.35Å; I193-E196 PolarHBondContact O-N 2.93Å; E196-G198 VanDerWaalsContact C-N 3.29Å; E196-R257 IonicContact OE2-CZ 3Å; E196-R257 IonicContact OE2-NH1 2.72Å; E196-R257 IonicContact OE2-NH2 3.67Å; E196-R257 PolarHBondContact OE2-NH2 2.83Å
197R93.7Very high95.7Very high82 Ų8252.3 Ų52.331%0.30929%0.293SS..Hα-helixtrans-76.2-14.6175.3-164.1179.3-175.386.75.6113.5I193 L194 T195 Y199 E238 T250 E254I193-R197 PolarHBondContact O-N 2.93Å; L194-R197 WeakPolarHBondContact O-CB 3.46Å; L194-R197 PolarHBondContact O-N 2.78Å; T195-R197 PolarHBondContact O-N 2.95Å; R197-Y199 HydrophobicContact CB-CD2 4.46Å; R197-Y199 HydrophobicContact CG-CD2 4.4Å; R197-Y199 HydrophobicContact CG-CE2 4.21Å; R197-E238 IonicContact CZ-OE1 3.73Å; R197-E238 IonicContact NH2-OE1 3.28Å; R197-E238 PolarHBondContact NH2-OE1 2.89Å; R197-T250 WeakPolarHBondContact CD-O 3.32Å; R197-T250 PolarHBondContact NE-O 2.63Å; R197-E254 WeakPolarHBondContact CD-OE1 3.36Å; R197-E254 IonicContact CZ-OE2 3.93Å; R197-E254 IonicContact NH1-OE1 2.78Å; R197-E254 PolarHBondContact NH1-OE1 3.09Å; R197-E254 VanDerWaalsContact NH1-OE1 3.16Å; R197-E254 IonicContact NH1-OE2 3.95Å; R197-E254 PolarHBondContact NH1-OE2 3.13Å
198G96.5Very high95.5Very high62 Ų6253.8 Ų53.864%0.63930%0.3SS*.THydrogen-bonded Turntrans105.94.2-179.100000115.3L194 T195 E196L194-G198 PolarHBondContact O-N 2.82Å; T195-G198 WeakPolarHBondContact O-CA 3.31Å; T195-G198 PolarHBondContact O-N 2.99Å; E196-G198 VanDerWaalsContact C-N 3.29Å
199Y96.3Very high95.5Very high61 Ų6152 Ų5224%0.23929%0.29CS..  trans-100.2103.9173.7-55.5-58.6000110.4L194 T195 R197 I249 T250L194-Y199 CarbonylContact C-O 3.15Å; L194-Y199 PolarHBondContact O-N 2.83Å; T195-Y199 VanDerWaalsContact CA-O 3.32Å; T195-Y199 WeakPolarHBondContact CA-O 3.33Å; T195-Y199 PolarHBondContact N-O 3.45Å; R197-Y199 HydrophobicContact CB-CD2 4.46Å; R197-Y199 HydrophobicContact CG-CD2 4.4Å; R197-Y199 HydrophobicContact CG-CE2 4.21Å; Y199-I249 HydrophobicContact CD1-CB 4.27Å; Y199-I249 HydrophobicContact CD1-CG2 3.78Å; Y199-I249 HydrophobicContact CD2-CB 4.43Å; Y199-I249 HydrophobicContact CE1-CB 3.83Å; Y199-I249 HydrophobicContact CE1-CG2 3.51Å; Y199-I249 HydrophobicContact CE2-CB 4.02Å; Y199-I249 HydrophobicContact CG-CG2 4.41Å; Y199-T250 WeakPolarHBondContact CE2-O 3.3Å; Y199-T250 PolarHBondContact OH-N 2.97Å
200S95.5Very high95.5Very high74 Ų7451.3 Ų51.352%0.51729%0.287SS..  trans-92.5124.2-179.4-165.50000111.4
201F95.8Very high95.4Very high16 Ų1654.7 Ų54.77%0.0730%0.3CS..  trans-119.4118173.2-63.8-80.1000106.9M191 L194 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CE-CB 4.23Å; M191-F201 WeakPolarHBondContact CE-O 3.42Å; L194-F201 HydrophobicContact CB-CD2 4.34Å; L194-F201 HydrophobicContact CB-CE2 4.26Å; L194-F201 HydrophobicContact CD1-CD2 4.15Å; L194-F201 HydrophobicContact CD1-CE2 3.83Å; F201-E206 HydrophobicContact CB-CB 3.92Å; F201-E206 HydrophobicContact CD1-CB 3.82Å; F201-E206 HydrophobicContact CD1-CG 4.07Å; F201-E206 HydrophobicContact CG-CB 4.35Å; F201-I209 HydrophobicContact CE1-CG2 4.3Å; F201-V210 HydrophobicContact CB-CG2 3.77Å; F201-V210 HydrophobicContact CD1-CG2 4.01Å; F201-V210 HydrophobicContact CD2-CG2 3.45Å; F201-V210 VanDerWaalsContact CD2-CG2 3.45Å; F201-V210 HydrophobicContact CE1-CG2 4.46Å; F201-V210 HydrophobicContact CE2-CG2 3.99Å; F201-V210 HydrophobicContact CG-CG2 3.45Å; F201-V210 VanDerWaalsContact CG-CG2 3.45Å; F201-V210 HydrophobicContact CZ-CG2 4.45Å; F201-I213 HydrophobicContact CZ-CD1 4.42Å; F201-L243 HydrophobicContact CE1-CD2 4.04Å; F201-L243 HydrophobicContact CZ-CD2 4.09Å; F201-I249 HydrophobicContact CZ-CD1 3.99Å
202T93.4Very high95.4Very high110 Ų11055 Ų5568%0.67530%0.303SS*.  trans-122.5-25.2-170610000113E206T202-E206 PolarHBondContact N-OE2 3.15Å; T202-E206 PolarHBondContact OG1-OE2 2.85Å
203T92.1Very high95.5Very high64 Ų6449.3 Ų49.339%0.39328%0.278SS..SBendtrans-90157.9-177.272.10000112.2A205 E206 R207T203-A205 PolarHBondContact O-N 3.33Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.35Å; T203-E206 PolarHBondContact N-OE2 2.79Å; T203-E206 PolarHBondContact O-N 3.1Å; T203-E206 WeakPolarHBondContact OG1-CB 3.49Å; T203-E206 VanDerWaalsContact OG1-CD 3.29Å; T203-E206 VanDerWaalsContact OG1-CG 3.23Å; T203-E206 WeakPolarHBondContact OG1-CG 3.39Å; T203-E206 PolarHBondContact OG1-N 3.04Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 2.68Å; T203-E206 VanDerWaalsContact OG1-OE2 3.09Å; T203-R207 PolarHBondContact O-N 3.07Å
204T88.2Confident95.5Very high74 Ų7449.6 Ų49.645%0.45428%0.279SS..THydrogen-bonded Turntrans-64.4-19.3174.960.20000114.3R63R63-T204 WeakPolarHBondContact CD-O 3.37Å; R63-T204 PolarHBondContact NH1-O 3.43Å; R63-T204 VanDerWaalsContact NH1-O 3.14Å
205A90Very high95.5Very high55 Ų5554.8 Ų54.846%0.45530%0.303SS..THydrogen-bonded Turntrans-81.9-44.1174.600000110.5T203 R207 E208 I209T203-A205 PolarHBondContact O-N 3.33Å; A205-R207 PolarHBondContact O-N 3.23Å; A205-E208 WeakPolarHBondContact O-CB 3.4Å; A205-E208 PolarHBondContact O-N 2.99Å; A205-I209 PolarHBondContact O-N 2.83Å
206E94.5Very high95.5Very high59 Ų5958.2 Ų58.228%0.27631%0.313SS..Hα-helixtrans-60-33.8172.6-77.4167.3167.800112.4F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.92Å; F201-E206 HydrophobicContact CD1-CB 3.82Å; F201-E206 HydrophobicContact CD1-CG 4.07Å; F201-E206 HydrophobicContact CG-CB 4.35Å; T202-E206 PolarHBondContact N-OE2 3.15Å; T202-E206 PolarHBondContact OG1-OE2 2.85Å; T203-E206 WeakPolarHBondContact CG2-OE2 3.35Å; T203-E206 PolarHBondContact N-OE2 2.79Å; T203-E206 PolarHBondContact O-N 3.1Å; T203-E206 WeakPolarHBondContact OG1-CB 3.49Å; T203-E206 VanDerWaalsContact OG1-CD 3.29Å; T203-E206 VanDerWaalsContact OG1-CG 3.23Å; T203-E206 WeakPolarHBondContact OG1-CG 3.39Å; T203-E206 PolarHBondContact OG1-N 3.04Å; T203-E206 VanDerWaalsContact OG1-N 3.15Å; T203-E206 PolarHBondContact OG1-OE2 2.68Å; T203-E206 VanDerWaalsContact OG1-OE2 3.09Å; E206-E208 PolarHBondContact O-N 2.83Å; E206-I209 VanDerWaalsContact O-CB 3.31Å; E206-I209 WeakPolarHBondContact O-CB 3.44Å; E206-I209 PolarHBondContact O-N 3Å; E206-V210 PolarHBondContact O-N 2.79Å
207R95Very high95.7Very high36 Ų3654.3 Ų54.314%0.13630%0.295CS..Hα-helixtrans-55.6-33.5171.7-175.9174.4-170.2-71.4-4.9113.2R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 2.65Å; R184-R207 VanDerWaalsContact O-NH2 3.1Å; T187-R207 HydrophobicContact CG2-CG 4.07Å; D188-R207 VanDerWaalsContact CG-NH2 3.31Å; D188-R207 IonicContact OD1-CZ 2.76Å; D188-R207 IonicContact OD1-NE 3.29Å; D188-R207 PolarHBondContact OD1-NE 3.19Å; D188-R207 IonicContact OD1-NH2 2.92Å; D188-R207 PolarHBondContact OD1-NH2 2.92Å; D188-R207 IonicContact OD2-NH2 3.83Å; D188-R207 PolarHBondContact OD2-NH2 3.07Å; M191-R207 HydrophobicContact CE-CB 4.38Å; M191-R207 HydrophobicContact SD-CB 3.93Å; M191-R207 HydrophobicContact SD-CG 3.67Å; T203-R207 PolarHBondContact O-N 3.07Å; A205-R207 PolarHBondContact O-N 3.23Å; R207-V210 PolarHBondContact O-N 3.2Å; R207-R211 PolarHBondContact O-N 2.85Å
208E94.7Very high95.9Very high30 Ų3050.6 Ų50.614%0.1428%0.282CS..Hα-helixtrans-74.5-32.4177.6-63.3-6716000112.2Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CG 3.25Å; Q60-E208 PolarHBondContact NE2-OE1 2.88Å; Q60-E208 PolarHBondContact NE2-OE2 3.19Å; R63-E208 IonicContact CZ-OE1 3.04Å; R63-E208 VanDerWaalsContact CZ-OE1 3.29Å; R63-E208 IonicContact NH1-OE1 2.88Å; R63-E208 IonicContact NH2-OE1 3.12Å; R63-E208 PolarHBondContact NH2-OE1 2.93Å; A205-E208 WeakPolarHBondContact O-CB 3.4Å; A205-E208 PolarHBondContact O-N 2.99Å; E206-E208 PolarHBondContact O-N 2.83Å; E208-V210 VanDerWaalsContact C-N 3.31Å; E208-R211 PolarHBondContact O-N 2.74Å; E208-R211 IonicContact OE2-CZ 2.63Å; E208-R211 IonicContact OE2-NE 3.1Å; E208-R211 PolarHBondContact OE2-NE 2.99Å; E208-R211 IonicContact OE2-NH2 2.86Å; E208-R211 PolarHBondContact OE2-NH2 3.48Å; E208-D212 PolarHBondContact O-N 3.14Å
209I96.9Very high96Very high33 Ų3349.2 Ų49.217%0.16926%0.258CS..Hα-helixtrans-61.8-45.5169.7-58.5171.8000108.9F201 A205 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.3Å; A205-I209 PolarHBondContact O-N 2.83Å; E206-I209 VanDerWaalsContact O-CB 3.31Å; E206-I209 WeakPolarHBondContact O-CB 3.44Å; E206-I209 PolarHBondContact O-N 3Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.22Å; I209-D212 PolarHBondContact O-N 2.71Å; I209-D212 VanDerWaalsContact O-N 3.15Å; I209-I213 HydrophobicContact CG2-CD1 4.02Å; I209-I213 HydrophobicContact CG2-CG1 4.45Å; I209-I213 VanDerWaalsContact O-CG1 3.32Å; I209-I213 WeakPolarHBondContact O-CG1 3.26Å; I209-I213 PolarHBondContact O-N 2.6Å; I209-Y241 HydrophobicContact CG2-CE1 3.88Å; I209-L243 HydrophobicContact CG2-CD2 3.64Å; I209-P244 HydrophobicContact CD1-CG 3.78Å; I209-P244 HydrophobicContact CG1-CG 4.1Å
210V98.3Very high96.1Very high0 Ų046.5 Ų46.50%025%0.247CC..Hα-helixtrans-64.4-37.7178178.10000112.3T187 M190 M191 L194 F201 E206 R207 E208 I213 K214T187-V210 HydrophobicContact CG2-CG1 4.33Å; M190-V210 HydrophobicContact CB-CG1 3.62Å; M190-V210 HydrophobicContact CG-CG1 3.55Å; M191-V210 HydrophobicContact CB-CG1 4.43Å; M191-V210 HydrophobicContact CG-CB 3.83Å; M191-V210 HydrophobicContact CG-CG1 3.61Å; M191-V210 HydrophobicContact CG-CG2 3.85Å; L194-V210 HydrophobicContact CD1-CG1 3.97Å; L194-V210 HydrophobicContact CD1-CG2 3.99Å; F201-V210 HydrophobicContact CB-CG2 3.77Å; F201-V210 HydrophobicContact CD1-CG2 4.01Å; F201-V210 HydrophobicContact CD2-CG2 3.45Å; F201-V210 VanDerWaalsContact CD2-CG2 3.45Å; F201-V210 HydrophobicContact CE1-CG2 4.46Å; F201-V210 HydrophobicContact CE2-CG2 3.99Å; F201-V210 HydrophobicContact CG-CG2 3.45Å; F201-V210 VanDerWaalsContact CG-CG2 3.45Å; F201-V210 HydrophobicContact CZ-CG2 4.45Å; E206-V210 PolarHBondContact O-N 2.79Å; R207-V210 PolarHBondContact O-N 3.2Å; E208-V210 VanDerWaalsContact C-N 3.31Å; V210-I213 PolarHBondContact O-N 3.36Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 PolarHBondContact O-N 3.43Å
211R97.8Very high96.3Very high71 Ų7143.1 Ų43.127%0.26822%0.223SC..Hα-helixtrans-60-45171.8-171.4-172.661.372.15.7111.5T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 3.86Å; R207-R211 PolarHBondContact O-N 2.85Å; E208-R211 PolarHBondContact O-N 2.74Å; E208-R211 IonicContact OE2-CZ 2.63Å; E208-R211 IonicContact OE2-NE 3.1Å; E208-R211 PolarHBondContact OE2-NE 2.99Å; E208-R211 IonicContact OE2-NH2 2.86Å; E208-R211 PolarHBondContact OE2-NH2 3.48Å; I209-R211 VanDerWaalsContact C-N 3.33Å; I209-R211 PolarHBondContact O-N 3.22Å; R211-K214 WeakPolarHBondContact O-CB 3.42Å; R211-K214 PolarHBondContact O-N 3.49Å; R211-E215 WeakPolarHBondContact CG-OE1 3.25Å; R211-E215 IonicContact CZ-OE1 2.84Å; R211-E215 IonicContact NH1-OE1 3.62Å; R211-E215 PolarHBondContact NH1-OE1 3.2Å; R211-E215 IonicContact NH1-OE2 3.54Å; R211-E215 PolarHBondContact NH1-OE2 2.82Å; R211-E215 WeakPolarHBondContact O-CG 3.19Å; R211-E215 PolarHBondContact O-N 2.87Å
212D98Very high96.4Very high36 Ų3646.8 Ų46.819%0.19324%0.244CC..Hα-helixtrans-66.1-41.7178.7-175.474.7000112.2E208 I209 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 3.14Å; I209-D212 PolarHBondContact O-N 2.71Å; I209-D212 VanDerWaalsContact O-N 3.15Å; D212-K214 VanDerWaalsContact C-N 3.32Å; D212-K214 PolarHBondContact O-N 2.9Å; D212-E215 PolarHBondContact O-N 3.45Å; D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CB 3.26Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.24Å; D212-K216 IonicContact OD1-NZ 3.36Å; D212-K216 PolarHBondContact OD1-NZ 3.36Å; D212-K216 WeakPolarHBondContact OD2-CD 3.44Å; D212-K216 WeakPolarHBondContact OD2-CE 3.44Å; D212-K216 IonicContact OD2-NZ 3.16Å; D212-K216 PolarHBondContact OD2-NZ 3.31Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.29Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.48Å; D212-Y241 PolarHBondContact OD2-OH 3.42Å
213I98.6Very high96.6Very high0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-55.4-50.3171.5-69.3167.6000109.9M190 L194 F201 I209 V210 K216 L217 Y241 I249 I251M190-I213 HydrophobicContact CE-CG2 3.62Å; L194-I213 HydrophobicContact CD1-CD1 4.31Å; F201-I213 HydrophobicContact CZ-CD1 4.42Å; I209-I213 HydrophobicContact CG2-CD1 4.02Å; I209-I213 HydrophobicContact CG2-CG1 4.45Å; I209-I213 VanDerWaalsContact O-CG1 3.32Å; I209-I213 WeakPolarHBondContact O-CG1 3.26Å; I209-I213 PolarHBondContact O-N 2.6Å; V210-I213 PolarHBondContact O-N 3.36Å; I213-K216 PolarHBondContact O-N 2.84Å; I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.35Å; I213-L217 PolarHBondContact O-N 2.96Å; I213-Y241 HydrophobicContact CB-CE2 4.48Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.11Å; I213-Y241 HydrophobicContact CD1-CG 4.33Å; I213-Y241 HydrophobicContact CG1-CD1 3.71Å; I213-Y241 HydrophobicContact CG1-CD2 3.68Å; I213-Y241 HydrophobicContact CG1-CE1 3.69Å; I213-Y241 HydrophobicContact CG1-CE2 3.64Å; I213-Y241 HydrophobicContact CG1-CG 3.71Å; I213-I249 HydrophobicContact CD1-CD1 3.96Å; I213-I251 HydrophobicContact CD1-CD1 4.45Å; I213-I251 HydrophobicContact CG2-CD1 4.07Å; I213-I251 HydrophobicContact CG2-CG1 3.99Å; I213-I251 HydrophobicContact CG2-CG2 4.41Å
214K98.5Very high96.9Very high6 Ų642 Ų423%0.02621%0.211CC..Hα-helixtrans-58.2-50.7179.9178.1-168.764.21350111.2G183 L186 T187 M190 V210 R211 D212 K216 C218 Y307G183-K214 PolarHBondContact O-NZ 2.99Å; L186-K214 HydrophobicContact CB-CD 3.87Å; T187-K214 WeakPolarHBondContact OG1-CE 3.26Å; T187-K214 PolarHBondContact OG1-NZ 3.2Å; M190-K214 HydrophobicContact CG-CB 4.39Å; V210-K214 WeakPolarHBondContact O-CB 3.45Å; V210-K214 PolarHBondContact O-N 3.43Å; R211-K214 WeakPolarHBondContact O-CB 3.42Å; R211-K214 PolarHBondContact O-N 3.49Å; D212-K214 VanDerWaalsContact C-N 3.32Å; D212-K214 PolarHBondContact O-N 2.9Å; K214-K216 PolarHBondContact O-N 2.71Å; K214-C218 WeakPolarHBondContact O-CB 3.41Å; K214-C218 PolarHBondContact O-N 2.9Å; K214-C218 VanDerWaalsContact O-N 3.15Å; K214-Y307 WeakPolarHBondContact CD-OH 3.13Å; K214-Y307 HydrophobicContact CG-CE1 4.32Å; K214-Y307 WeakPolarHBondContact CG-OH 3.37Å
215E98.1Very high97.4Very high109 Ų10944.7 Ų44.751%0.50922%0.218SC..Hα-helixtrans-67.9-33.5-177.4-73.2174.9-159.200113.3R211 D212R211-E215 WeakPolarHBondContact CG-OE1 3.25Å; R211-E215 IonicContact CZ-OE1 2.84Å; R211-E215 IonicContact NH1-OE1 3.62Å; R211-E215 PolarHBondContact NH1-OE1 3.2Å; R211-E215 IonicContact NH1-OE2 3.54Å; R211-E215 PolarHBondContact NH1-OE2 2.82Å; R211-E215 WeakPolarHBondContact O-CG 3.19Å; R211-E215 PolarHBondContact O-N 2.87Å; D212-E215 PolarHBondContact O-N 3.45Å
216K98.3Very high97.8Very high136 Ų13648.5 Ų48.559%0.59123%0.226SC*.Hα-helixtrans-84-37.1-179-74.5178.2178.9158.30114.1D212 I213 K214 Y241D212-K216 VanDerWaalsContact CG-NZ 3.27Å; D212-K216 WeakPolarHBondContact O-CB 3.26Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; D212-K216 PolarHBondContact O-N 3.16Å; D212-K216 WeakPolarHBondContact OD1-CE 3.24Å; D212-K216 IonicContact OD1-NZ 3.36Å; D212-K216 PolarHBondContact OD1-NZ 3.36Å; D212-K216 WeakPolarHBondContact OD2-CD 3.44Å; D212-K216 WeakPolarHBondContact OD2-CE 3.44Å; D212-K216 IonicContact OD2-NZ 3.16Å; D212-K216 PolarHBondContact OD2-NZ 3.31Å; I213-K216 PolarHBondContact O-N 2.84Å; K214-K216 PolarHBondContact O-N 2.71Å; K216-Y241 HydrophobicContact CD-CE2 4.35Å
217L98.5Very high97.9Very high27 Ų2747.6 Ų47.614%0.14122%0.222CC..Hα-helixtrans-112.8-21.3-164.6-58.1-173.6000114.2I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.35Å; I213-L217 PolarHBondContact O-N 2.96Å; L217-K239 HydrophobicContact CD1-CB 4.25Å; L217-K239 HydrophobicContact CD2-CB 4.27Å; L217-Y241 HydrophobicContact CD1-CD2 4.01Å; L217-Y241 HydrophobicContact CD1-CG 4.43Å; L217-I251 HydrophobicContact CD1-CB 4.34Å; L217-I251 HydrophobicContact CD1-CG1 3.82Å; L217-R255 HydrophobicContact CB-CG 4.4Å; L217-R255 PolarHBondContact O-NE 2.94Å; L217-R255 PolarHBondContact O-NH2 3.48Å
218C98.8Very high98.1Very high4 Ų448.5 Ų48.53%0.02723%0.228CC..  trans-77.8151.4-178.2-67.60000113K214 R255 P259 Y307K214-C218 WeakPolarHBondContact O-CB 3.41Å; K214-C218 PolarHBondContact O-N 2.9Å; K214-C218 VanDerWaalsContact O-N 3.15Å; C218-R255 CarbonylContact C-O 3.56Å; C218-R255 WeakPolarHBondContact CA-O 3.27Å; C218-R255 WeakPolarHBondContact CB-O 3.24Å; C218-R255 PolarHBondContact SG-O 2.9Å; C218-R255 VanDerWaalsContact SG-O 3.33Å; C218-P259 HydrophobicContact CB-CG 4.23Å; C218-Y307 HydrophobicContact CB-CD1 3.96Å; C218-Y307 HydrophobicContact CB-CE1 3.66Å
219Y98.8Very high98.2Very high33 Ų3349 Ų4913%0.12924%0.242CC..  trans-153.1158178.665.7-81.4000109.7E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 3.24Å; Y219-R255 HydrophobicContact CD1-CB 4.08Å; Y219-R255 HydrophobicContact CE1-CB 3.77Å; Y219-R255 PolarHBondContact N-O 3.16Å; Y219-F256 HydrophobicContact CD2-CB 4.38Å; Y219-F256 HydrophobicContact CE1-CB 4.25Å; Y219-F256 HydrophobicContact CE1-CD1 4.33Å; Y219-F256 HydrophobicContact CE2-CB 4.01Å; Y219-F256 AromaticContact CZ-CD1 3.87Å; Y219-F256 VanDerWaalsContact O-CA 3.28Å; Y219-F256 WeakPolarHBondContact O-CA 3.37Å; Y219-F256 WeakPolarHBondContact O-CB 3.49Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.41Å; Y219-P259 WeakPolarHBondContact O-CG 3.46Å
220V98.9Very high98.3Very high4 Ų449.9 Ų49.92%0.02425%0.249CC..  trans-91.5123.8176.1173.90000108.9P259 F263 Y307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.9Å; V220-P259 HydrophobicContact CG2-CG 4.31Å; V220-F263 HydrophobicContact CG1-CD2 4.38Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.05Å; V220-F263 HydrophobicContact CG2-CE2 4.04Å; V220-Y307 HydrophobicContact CG2-CD2 4.47Å; V220-Y307 HydrophobicContact CG2-CG 4.44Å; V220-P308 PolarHBondContact N-O 2.68Å; V220-I310 HydrophobicContact CB-CB 4.28Å; V220-I310 HydrophobicContact CG2-CB 3.9Å; V220-I310 HydrophobicContact CG2-CG1 4.08Å; V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.67Å
221A98.6Very high98.2Very high2 Ų251.1 Ų51.12%0.01726%0.259CS..  trans-72.5141.517200000110.7D223 E227 F256 R313A221-D223 VanDerWaalsContact C-N 3.33Å; A221-E227 HydrophobicContact CB-CB 3.7Å; A221-E227 HydrophobicContact CB-CG 3.8Å; A221-F256 HydrophobicContact CB-CB 4.24Å; A221-F256 HydrophobicContact CB-CD2 4.35Å; A221-F256 HydrophobicContact CB-CG 4.49Å; A221-R313 WeakPolarHBondContact O-CD 3.47Å; A221-R313 PolarHBondContact O-NH1 2.92Å
222L98.5Very high98.2Very high94 Ų9452.1 Ų52.149%0.49228%0.282SS..SBendtrans-69.7-34.5174.4-17565.5000111.6D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.15Å; L222-R313 WeakPolarHBondContact O-CD 3.35Å; L222-K316 HydrophobicContact CD1-CB 4.07Å; L222-K316 HydrophobicContact CD1-CD 3.88Å; L222-K316 HydrophobicContact CG-CD 4.1Å; L222-K316 WeakPolarHBondContact O-CD 3.38Å; L222-K316 PolarHBondContact O-NZ 2.87Å
223D98.4Very high98.1Very high57 Ų5755.2 Ų55.231%0.30531%0.307SS..SBendtrans-135.5106.9174.3-166.2-62.8000108.9A221 E225 Q226 E227 K316A221-D223 VanDerWaalsContact C-N 3.33Å; D223-E225 PolarHBondContact O-N 3.34Å; D223-E225 PolarHBondContact OD1-N 3.18Å; D223-Q226 HydrophobicContact CB-CB 3.92Å; D223-Q226 PolarHBondContact OD1-N 2.76Å; D223-E227 WeakPolarHBondContact O-CB 3.4Å; D223-E227 PolarHBondContact O-N 3.42Å; D223-K316 IonicContact OD2-NZ 3.63Å; D223-K316 PolarHBondContact OD2-NZ 2.81Å; D223-K316 VanDerWaalsContact OD2-NZ 3.12Å
224F98.2Very high97.8Very high17 Ų1757.7 Ų57.78%0.07532%0.324CS..Hα-helixtrans-63.2-42.7-172.6177-101.4000112.5E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 2.8Å; F224-M228 HydrophobicContact CD1-CG 4.3Å; F224-M228 HydrophobicContact CE1-CG 3.79Å; F224-M228 HydrophobicContact CE2-CG 4.13Å; F224-M228 HydrophobicContact CE2-SD 4.44Å; F224-M228 HydrophobicContact CZ-CG 3.7Å; F224-M228 HydrophobicContact CZ-SD 4.09Å; F224-M228 WeakPolarHBondContact O-CB 3.28Å; F224-M228 WeakPolarHBondContact O-CG 3.32Å; F224-M228 PolarHBondContact O-N 3.31Å; F224-F256 AromaticContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CE2 4.22Å; F224-F256 AromaticContact CE2-CD2 3.9Å; F224-F256 HydrophobicContact CE2-CD2 3.9Å; F224-F256 AromaticContact CE2-CE2 4Å; F224-F256 HydrophobicContact CE2-CE2 4Å; F224-R257 HydrophobicContact CE2-CG 3.89Å; F224-R257 HydrophobicContact CZ-CG 4.02Å; F224-E260 HydrophobicContact CB-CG 4.4Å; F224-E260 HydrophobicContact CD1-CG 4.4Å; F224-E260 HydrophobicContact CD2-CB 3.79Å; F224-E260 HydrophobicContact CD2-CG 3.42Å; F224-E260 VanDerWaalsContact CD2-CG 3.42Å; F224-E260 HydrophobicContact CE2-CB 3.81Å; F224-E260 HydrophobicContact CE2-CG 3.7Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.29Å; F224-F267 HydrophobicContact CE1-CE2 4.12Å; F224-F267 AromaticContact CE1-CZ 3.75Å; F224-F267 HydrophobicContact CE1-CZ 3.75Å; F224-F267 HydrophobicContact CE2-CE2 4.13Å; F224-F267 AromaticContact CZ-CE2 3.66Å; F224-F267 HydrophobicContact CZ-CE2 3.66Å; F224-F267 AromaticContact CZ-CZ 3.75Å; F224-F267 HydrophobicContact CZ-CZ 3.75Å
225E98Very high97.6Very high130 Ų13061.4 Ų61.461%0.60735%0.351SS*.Hα-helixtrans-69.2-41.1-177.8-64.5-57.4147.900111.5D223 M228 G229D223-E225 PolarHBondContact O-N 3.34Å; D223-E225 PolarHBondContact OD1-N 3.18Å; E225-M228 PolarHBondContact O-N 3.47Å; E225-G229 PolarHBondContact O-N 2.9Å
226Q98Very high97.5Very high134 Ų13459.8 Ų59.863%0.62636%0.357SS*.Hα-helixtrans-62.9-42.5173.9-174.7-176.2-10.200111.8D223 M228 G229 T230D223-Q226 HydrophobicContact CB-CB 3.92Å; D223-Q226 PolarHBondContact OD1-N 2.76Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; Q226-G229 PolarHBondContact O-N 2.86Å; Q226-T230 PolarHBondContact O-N 3.12Å; Q226-T230 PolarHBondContact O-OG1 3.31Å
227E98.2Very high97.4Very high40 Ų4054.7 Ų54.719%0.18734%0.335CS..Hα-helixtrans-65.3-39.9178.5-159.481.1-166.600111Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 3.24Å; A221-E227 HydrophobicContact CB-CB 3.7Å; A221-E227 HydrophobicContact CB-CG 3.8Å; D223-E227 WeakPolarHBondContact O-CB 3.4Å; D223-E227 PolarHBondContact O-N 3.42Å; F224-E227 PolarHBondContact O-N 2.8Å; E227-T230 PolarHBondContact O-N 3.05Å; E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 2.71Å; E227-L237 HydrophobicContact CG-CD1 3.94Å; E227-L237 VanDerWaalsContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.33Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.33Å; E227-F256 HydrophobicContact CB-CD2 4.08Å; E227-F256 HydrophobicContact CB-CE1 4.45Å; E227-F256 HydrophobicContact CB-CE2 3.83Å; E227-F256 HydrophobicContact CB-CG 4.5Å; E227-F256 HydrophobicContact CB-CZ 4.03Å; E227-F256 HydrophobicContact CG-CD1 3.65Å; E227-F256 HydrophobicContact CG-CD2 3.83Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.79Å; E227-F256 HydrophobicContact CG-CG 3.76Å; E227-F256 HydrophobicContact CG-CZ 3.68Å
228M98Very high97.4Very high55 Ų5557.1 Ų57.127%0.27135%0.346SS..Hα-helixtrans-59.2-46.2171.7-81-58.1-64.300112.2F224 E225 Q226 T230 A231 A232 N253 F256 R257F224-M228 HydrophobicContact CD1-CG 4.3Å; F224-M228 HydrophobicContact CE1-CG 3.79Å; F224-M228 HydrophobicContact CE2-CG 4.13Å; F224-M228 HydrophobicContact CE2-SD 4.44Å; F224-M228 HydrophobicContact CZ-CG 3.7Å; F224-M228 HydrophobicContact CZ-SD 4.09Å; F224-M228 WeakPolarHBondContact O-CB 3.28Å; F224-M228 WeakPolarHBondContact O-CG 3.32Å; F224-M228 PolarHBondContact O-N 3.31Å; E225-M228 PolarHBondContact O-N 3.47Å; Q226-M228 VanDerWaalsContact C-N 3.35Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.46Å; M228-A231 PolarHBondContact O-N 3.31Å; M228-A232 WeakPolarHBondContact O-CB 3.49Å; M228-A232 PolarHBondContact O-N 3.21Å; M228-N253 HydrophobicContact SD-CB 4.17Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.58Å; M228-F256 VanDerWaalsContact SD-CE2 3.58Å; M228-F256 HydrophobicContact SD-CZ 3.78Å; M228-R257 HydrophobicContact SD-CG 3.9Å
229G98.1Very high97.4Very high41 Ų4162 Ų6242%0.42337%0.367SS..Hα-helixtrans-61.8-37.6176.300000112.9E225 Q226 A232 S233E225-G229 PolarHBondContact O-N 2.9Å; Q226-G229 PolarHBondContact O-N 2.86Å; G229-A232 PolarHBondContact O-N 3.09Å; G229-S233 PolarHBondContact O-N 2.81Å; G229-S233 PolarHBondContact O-OG 3.05Å
230T97.6Very high97.3Very high52 Ų5264.4 Ų64.432%0.31939%0.388SS..Hα-helixtrans-67.2-45.3175.3-56.20000111Q226 E227 M228 A232 S233 S234 L237Q226-T230 PolarHBondContact O-N 3.12Å; Q226-T230 PolarHBondContact O-OG1 3.31Å; E227-T230 PolarHBondContact O-N 3.05Å; M228-T230 VanDerWaalsContact C-N 3.3Å; M228-T230 PolarHBondContact O-N 3.46Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 3.46Å; T230-S233 PolarHBondContact O-N 2.96Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 2.76Å; T230-S234 WeakPolarHBondContact O-CB 3.49Å; T230-S234 PolarHBondContact O-N 2.98Å; T230-L237 HydrophobicContact CG2-CD1 3.95Å; T230-L237 HydrophobicContact CG2-CG 4.25Å
231A97Very high97.3Very high25 Ų2565.6 Ų65.621%0.20739%0.393CS..Hα-helixtrans-64.1-29.917800000113.2E227 M228 S233 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.27Å; E227-A231 PolarHBondContact O-N 2.71Å; M228-A231 PolarHBondContact O-N 3.31Å; A231-S233 VanDerWaalsContact C-N 3.35Å; A231-L237 HydrophobicContact CB-CD1 4.02Å; A231-N253 HydrophobicContact CB-CB 3.92Å; A231-F256 HydrophobicContact CB-CE1 3.98Å; A231-F256 HydrophobicContact CB-CZ 3.87Å
232A96.4Very high97.2Very high92 Ų9271.9 Ų71.976%0.7642%0.422SS*.Hα-helixtrans-74.6-24.5176.700000113.2M228 G229 T230M228-A232 WeakPolarHBondContact O-CB 3.49Å; M228-A232 PolarHBondContact O-N 3.21Å; G229-A232 PolarHBondContact O-N 3.09Å; T230-A232 VanDerWaalsContact C-N 3.26Å; T230-A232 PolarHBondContact O-N 3.46Å
233S95.8Very high97.1Very high102 Ų10268.2 Ų68.271%0.71340%0.402SS*.Hα-helixtrans-109.2-11.6-174.956.60000114.3G229 T230 A231G229-S233 PolarHBondContact O-N 2.81Å; G229-S233 PolarHBondContact O-OG 3.05Å; T230-S233 PolarHBondContact O-N 2.96Å; T230-S233 VanDerWaalsContact O-N 3.16Å; T230-S233 PolarHBondContact O-OG 2.76Å; A231-S233 VanDerWaalsContact C-N 3.35Å
234S93.9Very high96.9Very high52 Ų5270.7 Ų70.736%0.36442%0.422SS..  trans-147.5140.7-173.7-178.20000112.3T230 A236T230-S234 WeakPolarHBondContact O-CB 3.49Å; T230-S234 PolarHBondContact O-N 2.98Å; S234-A236 PolarHBondContact O-N 3.4Å; S234-A236 WeakPolarHBondContact OG-CB 3.42Å; S234-A236 PolarHBondContact OG-N 3.15Å; S234-A236 VanDerWaalsContact OG-N 3.09Å
235S94.6Very high96.7Very high83 Ų8375.6 Ų75.658%0.5845%0.449SS*.G310 helixtrans-823.1169.861.20000113.3L237 E238S235-L237 PolarHBondContact O-N 3.41Å; S235-L237 VanDerWaalsContact O-N 3.08Å; S235-E238 WeakPolarHBondContact CB-OE2 3.17Å; S235-E238 WeakPolarHBondContact O-CB 3.43Å; S235-E238 PolarHBondContact O-N 3.48Å
236A95.5Very high96.6Very high76 Ų7671.3 Ų71.363%0.62844%0.44SS*.G310 helixtrans-59.7-23.9-176.900000113.8S234S234-A236 PolarHBondContact O-N 3.4Å; S234-A236 WeakPolarHBondContact OG-CB 3.42Å; S234-A236 PolarHBondContact OG-N 3.15Å; S234-A236 VanDerWaalsContact OG-N 3.09Å
237L96.5Very high96.5Very high28 Ų2870 Ų7015%0.14743%0.433CS..G310 helixtrans-89-6.8178.1-56.8-177.6000113E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 3.94Å; E227-L237 VanDerWaalsContact OE1-CD1 3.32Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.33Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.33Å; T230-L237 HydrophobicContact CG2-CD1 3.95Å; T230-L237 HydrophobicContact CG2-CG 4.25Å; A231-L237 HydrophobicContact CB-CD1 4.02Å; S235-L237 PolarHBondContact O-N 3.41Å; S235-L237 VanDerWaalsContact O-N 3.08Å; L237-R255 WeakPolarHBondContact O-CD 3.46Å; L237-R255 PolarHBondContact O-NH1 3.19Å; L237-F256 HydrophobicContact CD1-CE1 4.02Å
238E97.6Very high96.4Very high78 Ų7872 Ų7236%0.36445%0.449SS..  trans-74.8145.9179.7-60.3-168140.800111.9R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 3.73Å; R197-E238 IonicContact NH2-OE1 3.28Å; R197-E238 PolarHBondContact NH2-OE1 2.89Å; S235-E238 WeakPolarHBondContact CB-OE2 3.17Å; S235-E238 WeakPolarHBondContact O-CB 3.43Å; S235-E238 PolarHBondContact O-N 3.48Å; E238-T250 HydrophobicContact CB-CG2 3.77Å; E238-T250 HydrophobicContact CG-CG2 4.15Å; E238-I251 CarbonylContact C-O 3.59Å; E238-I251 WeakPolarHBondContact CA-O 3.22Å
239K98.1Very high96.4Very high106 Ų10669.5 Ų69.546%0.46144%0.436SS..EExtended strand (participates in β ladder)trans-133.7139.6171.4-69.3-67.2-178.7-175.60110.3L217 I251L217-K239 HydrophobicContact CD1-CB 4.25Å; L217-K239 HydrophobicContact CD2-CB 4.27Å; K239-I251 PolarHBondContact N-O 3.38Å; K239-I251 PolarHBondContact O-N 3.44Å
240S97.5Very high96.4Very high84 Ų8469.5 Ų69.559%0.58743%0.428SS*.EExtended strand (participates in β ladder)trans-80.8146.1170.9-58.10000110.9I249S240-I249 CarbonylContact C-O 3.52Å; S240-I249 VanDerWaalsContact CA-O 3.31Å; S240-I249 WeakPolarHBondContact CA-O 3.46Å
241Y98.2Very high96.4Very high30 Ų3067 Ų6712%0.11841%0.413CS..EExtended strand (participates in β ladder)trans-133.8132.3173-176.6-86.5000108.8I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.88Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.29Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.48Å; D212-Y241 PolarHBondContact OD2-OH 3.42Å; I213-Y241 HydrophobicContact CB-CE2 4.48Å; I213-Y241 HydrophobicContact CD1-CD1 3.99Å; I213-Y241 HydrophobicContact CD1-CE1 4.11Å; I213-Y241 HydrophobicContact CD1-CG 4.33Å; I213-Y241 HydrophobicContact CG1-CD1 3.71Å; I213-Y241 HydrophobicContact CG1-CD2 3.68Å; I213-Y241 HydrophobicContact CG1-CE1 3.69Å; I213-Y241 HydrophobicContact CG1-CE2 3.64Å; I213-Y241 HydrophobicContact CG1-CG 3.71Å; K216-Y241 HydrophobicContact CD-CE2 4.35Å; L217-Y241 HydrophobicContact CD1-CD2 4.01Å; L217-Y241 HydrophobicContact CD1-CG 4.43Å; Y241-L243 HydrophobicContact CD1-CD2 4.06Å; Y241-L243 HydrophobicContact CE1-CD2 4.04Å; Y241-V248 WeakPolarHBondContact O-CA 3.44Å; Y241-I249 HydrophobicContact CD1-CG1 4.42Å; Y241-I249 PolarHBondContact N-O 2.98Å; Y241-I249 PolarHBondContact O-N 3.01Å
242E98.1Very high96.5Very high133 Ų13366 Ų6662%0.62141%0.405SS*.EExtended strand (participates in β ladder)trans-93118.9177.6-171.8177.7165.800109.8V248E242-V248 HydrophobicContact CB-CG2 4.44Å; E242-V248 HydrophobicContact CG-CG2 4.37Å
243L96.4Very high96.6Very high17 Ų1763.3 Ų63.39%0.08938%0.377CS..  trans-72.3159.1175.1-64.2178.7000110.6F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 4.04Å; F201-L243 HydrophobicContact CZ-CD2 4.09Å; I209-L243 HydrophobicContact CG2-CD2 3.64Å; Y241-L243 HydrophobicContact CD1-CD2 4.06Å; Y241-L243 HydrophobicContact CE1-CD2 4.04Å; L243-D245 VanDerWaalsContact CB-OD1 3.22Å; L243-D245 WeakPolarHBondContact CB-OD1 3.45Å; L243-D245 PolarHBondContact O-N 2.89Å; L243-G246 WeakPolarHBondContact O-CA 3.3Å; L243-G246 PolarHBondContact O-N 3.23Å; L243-Q247 HydrophobicContact CB-CB 4.44Å; L243-Q247 VanDerWaalsContact CB-O 3.3Å; L243-Q247 WeakPolarHBondContact CB-O 3.39Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.34Å; L243-Q247 WeakPolarHBondContact CG-O 3.14Å; L243-Q247 PolarHBondContact N-O 3.49Å; L243-I249 HydrophobicContact CD1-CG2 3.76Å; L243-I249 HydrophobicContact CD2-CD1 3.91Å; L243-I249 HydrophobicContact CD2-CG1 4.39Å; L243-I249 HydrophobicContact CG-CD1 4.32Å; L243-I249 HydrophobicContact CG-CG1 4.35Å; L243-I249 HydrophobicContact CG-CG2 4.21Å
244P93.5Very high96.7Very high110 Ų11058.8 Ų58.871%0.71435%0.345SS*.THydrogen-bonded Turntrans-59.4-18.7-179.8-26.936.6000115.8I209 G246I209-P244 HydrophobicContact CD1-CG 3.78Å; I209-P244 HydrophobicContact CG1-CG 4.1Å; P244-G246 VanDerWaalsContact C-N 3.32Å
245D93.7Very high96.9Very high120 Ų12057.8 Ų57.864%0.64233%0.333SS*.THydrogen-bonded Turntrans-881.5174.563.4-0.7000113.3L243 Q247L243-D245 VanDerWaalsContact CB-OD1 3.22Å; L243-D245 WeakPolarHBondContact CB-OD1 3.45Å; L243-D245 PolarHBondContact O-N 2.89Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.48Å; D245-Q247 PolarHBondContact OD1-N 3.14Å
246G95.4Very high97.1Very high40 Ų4053.9 Ų53.941%0.41231%0.306SS..SBendtrans86-3.3-177.400000114.3L243 P244 V248L243-G246 WeakPolarHBondContact O-CA 3.3Å; L243-G246 PolarHBondContact O-N 3.23Å; P244-G246 VanDerWaalsContact C-N 3.32Å; G246-V248 PolarHBondContact O-N 2.87Å
247Q96Very high97.2Very high105 Ų10552.5 Ų52.549%0.49128%0.284SS..  trans-68.7128.6175.1179.51800.100110L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.44Å; L243-Q247 VanDerWaalsContact CB-O 3.3Å; L243-Q247 WeakPolarHBondContact CB-O 3.39Å; L243-Q247 HydrophobicContact CD1-CB 4.15Å; L243-Q247 HydrophobicContact CD1-CG 4.34Å; L243-Q247 WeakPolarHBondContact CG-O 3.14Å; L243-Q247 PolarHBondContact N-O 3.49Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.28Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.48Å; D245-Q247 PolarHBondContact OD1-N 3.14Å; Q247-I249 HydrophobicContact CG-CG2 4.36Å
248V97.5Very high97.3Very high84 Ų8451.2 Ų51.251%0.50928%0.277SS..EExtended strand (participates in β ladder)trans-93.1124.8174.6-178.10000109.8Y241 E242 G246Y241-V248 WeakPolarHBondContact O-CA 3.44Å; E242-V248 HydrophobicContact CB-CG2 4.44Å; E242-V248 HydrophobicContact CG-CG2 4.37Å; G246-V248 PolarHBondContact O-N 2.87Å
249I97.5Very high97.4Very high1 Ų147.5 Ų47.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-111.7154.5174.363.3170.6000110.7Y199 F201 I213 S240 Y241 L243 Q247 I251Y199-I249 HydrophobicContact CD1-CB 4.27Å; Y199-I249 HydrophobicContact CD1-CG2 3.78Å; Y199-I249 HydrophobicContact CD2-CB 4.43Å; Y199-I249 HydrophobicContact CE1-CB 3.83Å; Y199-I249 HydrophobicContact CE1-CG2 3.51Å; Y199-I249 HydrophobicContact CE2-CB 4.02Å; Y199-I249 HydrophobicContact CG-CG2 4.41Å; F201-I249 HydrophobicContact CZ-CD1 3.99Å; I213-I249 HydrophobicContact CD1-CD1 3.96Å; S240-I249 CarbonylContact C-O 3.52Å; S240-I249 VanDerWaalsContact CA-O 3.31Å; S240-I249 WeakPolarHBondContact CA-O 3.46Å; Y241-I249 HydrophobicContact CD1-CG1 4.42Å; Y241-I249 PolarHBondContact N-O 2.98Å; Y241-I249 PolarHBondContact O-N 3.01Å; L243-I249 HydrophobicContact CD1-CG2 3.76Å; L243-I249 HydrophobicContact CD2-CD1 3.91Å; L243-I249 HydrophobicContact CD2-CG1 4.39Å; L243-I249 HydrophobicContact CG-CD1 4.32Å; L243-I249 HydrophobicContact CG-CG1 4.35Å; L243-I249 HydrophobicContact CG-CG2 4.21Å; Q247-I249 HydrophobicContact CG-CG2 4.36Å; I249-I251 HydrophobicContact CD1-CD1 3.67Å; I249-I251 HydrophobicContact CG1-CD1 3.95Å
250T97.8Very high97.4Very high42 Ų4242.4 Ų42.426%0.25824%0.238SC..EExtended strand (participates in β ladder)trans-107.6123.6178.4-59.40000110.5R197 Y199 E238R197-T250 WeakPolarHBondContact CD-O 3.32Å; R197-T250 PolarHBondContact NE-O 2.63Å; Y199-T250 WeakPolarHBondContact CE2-O 3.3Å; Y199-T250 PolarHBondContact OH-N 2.97Å; E238-T250 HydrophobicContact CB-CG2 3.77Å; E238-T250 HydrophobicContact CG-CG2 4.15Å
251I98.3Very high97.5Very high0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-103.9121.6176.1-39.2-59.3000108.3M190 L194 I213 L217 E238 K239 I249 E254 R255M190-I251 HydrophobicContact CE-CG2 3.68Å; L194-I251 HydrophobicContact CD2-CD1 3.72Å; L194-I251 HydrophobicContact CD2-CG2 4.33Å; I213-I251 HydrophobicContact CD1-CD1 4.45Å; I213-I251 HydrophobicContact CG2-CD1 4.07Å; I213-I251 HydrophobicContact CG2-CG1 3.99Å; I213-I251 HydrophobicContact CG2-CG2 4.41Å; L217-I251 HydrophobicContact CD1-CB 4.34Å; L217-I251 HydrophobicContact CD1-CG1 3.82Å; E238-I251 CarbonylContact C-O 3.59Å; E238-I251 WeakPolarHBondContact CA-O 3.22Å; K239-I251 PolarHBondContact N-O 3.38Å; K239-I251 PolarHBondContact O-N 3.44Å; I249-I251 HydrophobicContact CD1-CD1 3.67Å; I249-I251 HydrophobicContact CG1-CD1 3.95Å; I251-E254 HydrophobicContact CG2-CB 4.11Å; I251-R255 HydrophobicContact CB-CG 4.13Å; I251-R255 HydrophobicContact CG2-CG 3.64Å
252G98Very high97.5Very high3 Ų337 Ų373%0.03121%0.205CC..  trans-108.3-118.1-176.200000112.2E254 R255G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.29Å; G252-E254 WeakPolarHBondContact CA-OE2 3.47Å; G252-E254 PolarHBondContact N-OE2 2.86Å; G252-E254 PolarHBondContact O-N 3.09Å; G252-E254 VanDerWaalsContact O-N 3.13Å; G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 WeakPolarHBondContact O-CG 3.23Å; G252-R255 PolarHBondContact O-N 2.81Å; G252-R255 VanDerWaalsContact O-N 3.14Å
253N97.8Very high97.5Very high36 Ų3630.9 Ų30.919%0.19318%0.176CC..THydrogen-bonded Turntrans-64.4-16.1-177.563.346.6000113.8M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.17Å; A231-N253 HydrophobicContact CB-CB 3.92Å; N253-R255 PolarHBondContact O-N 3.38Å; N253-R255 VanDerWaalsContact O-N 3.11Å; N253-F256 VanDerWaalsContact CA-CE1 3.5Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.44Å; N253-F256 HydrophobicContact CB-CZ 3.62Å; N253-F256 PolarHBondContact O-N 3.45Å; N253-F256 VanDerWaalsContact O-N 3.14Å; N253-R257 HydrophobicContact CB-CG 4.46Å; N253-R257 WeakPolarHBondContact O-CB 3.43Å; N253-R257 WeakPolarHBondContact O-CG 3.34Å; N253-R257 PolarHBondContact O-N 3.1Å; N253-R257 WeakPolarHBondContact OD1-CD 3.43Å; N253-R257 PolarHBondContact OD1-NH1 3.49Å
254E98.3Very high97.6Very high6 Ų633 Ų333%0.02819%0.186CC..Hα-helixtrans-57.8-27.6174.7-54.877.8-160.600111.2M190 I193 L194 R197 I251 G252 F256 C258M190-E254 HydrophobicContact CE-CB 3.89Å; M190-E254 HydrophobicContact SD-CB 3.99Å; I193-E254 HydrophobicContact CB-CG 4.13Å; I193-E254 HydrophobicContact CD1-CB 3.67Å; I193-E254 HydrophobicContact CD1-CG 4.02Å; I193-E254 HydrophobicContact CG1-CB 3.87Å; I193-E254 HydrophobicContact CG1-CG 3.78Å; L194-E254 HydrophobicContact CD2-CG 4.42Å; R197-E254 WeakPolarHBondContact CD-OE1 3.36Å; R197-E254 IonicContact CZ-OE2 3.93Å; R197-E254 IonicContact NH1-OE1 2.78Å; R197-E254 PolarHBondContact NH1-OE1 3.09Å; R197-E254 VanDerWaalsContact NH1-OE1 3.16Å; R197-E254 IonicContact NH1-OE2 3.95Å; R197-E254 PolarHBondContact NH1-OE2 3.13Å; I251-E254 HydrophobicContact CG2-CB 4.11Å; G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 VanDerWaalsContact CA-OE2 3.29Å; G252-E254 WeakPolarHBondContact CA-OE2 3.47Å; G252-E254 PolarHBondContact N-OE2 2.86Å; G252-E254 PolarHBondContact O-N 3.09Å; G252-E254 VanDerWaalsContact O-N 3.13Å; E254-F256 VanDerWaalsContact C-N 3.33Å; E254-F256 PolarHBondContact O-N 2.98Å; E254-C258 VanDerWaalsContact O-CB 3.26Å; E254-C258 WeakPolarHBondContact O-CB 3.38Å; E254-C258 PolarHBondContact O-N 3.08Å; E254-C258 VanDerWaalsContact O-N 3.07Å
255R98.7Very high97.8Very high32 Ų3227.9 Ų27.912%0.12115%0.152CC..Hα-helixtrans-57.5-39.9177.1-64.1178.565.9-139-10113L217 C218 Y219 L237 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.4Å; L217-R255 PolarHBondContact O-NE 2.94Å; L217-R255 PolarHBondContact O-NH2 3.48Å; C218-R255 CarbonylContact C-O 3.56Å; C218-R255 WeakPolarHBondContact CA-O 3.27Å; C218-R255 WeakPolarHBondContact CB-O 3.24Å; C218-R255 PolarHBondContact SG-O 2.9Å; C218-R255 VanDerWaalsContact SG-O 3.33Å; Y219-R255 HydrophobicContact CD1-CB 4.08Å; Y219-R255 HydrophobicContact CE1-CB 3.77Å; Y219-R255 PolarHBondContact N-O 3.16Å; L237-R255 WeakPolarHBondContact O-CD 3.46Å; L237-R255 PolarHBondContact O-NH1 3.19Å; I251-R255 HydrophobicContact CB-CG 4.13Å; I251-R255 HydrophobicContact CG2-CG 3.64Å; G252-R255 WeakPolarHBondContact O-CB 3.44Å; G252-R255 WeakPolarHBondContact O-CG 3.23Å; G252-R255 PolarHBondContact O-N 2.81Å; G252-R255 VanDerWaalsContact O-N 3.14Å; N253-R255 PolarHBondContact O-N 3.38Å; N253-R255 VanDerWaalsContact O-N 3.11Å; R255-P259 WeakPolarHBondContact O-CD 3.34Å
256F98.6Very high98Very high0 Ų026 Ų260%015%0.149CC..Hα-helixtrans-108.8-22.6179.163.5-93.8000113.5Y219 A221 F224 E227 M228 A231 L237 N253 E254 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.38Å; Y219-F256 HydrophobicContact CE1-CB 4.25Å; Y219-F256 HydrophobicContact CE1-CD1 4.33Å; Y219-F256 HydrophobicContact CE2-CB 4.01Å; Y219-F256 AromaticContact CZ-CD1 3.87Å; Y219-F256 VanDerWaalsContact O-CA 3.28Å; Y219-F256 WeakPolarHBondContact O-CA 3.37Å; Y219-F256 WeakPolarHBondContact O-CB 3.49Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.41Å; A221-F256 HydrophobicContact CB-CB 4.24Å; A221-F256 HydrophobicContact CB-CD2 4.35Å; A221-F256 HydrophobicContact CB-CG 4.49Å; F224-F256 AromaticContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CD2 3.95Å; F224-F256 HydrophobicContact CD2-CE2 4.22Å; F224-F256 AromaticContact CE2-CD2 3.9Å; F224-F256 HydrophobicContact CE2-CD2 3.9Å; F224-F256 AromaticContact CE2-CE2 4Å; F224-F256 HydrophobicContact CE2-CE2 4Å; E227-F256 HydrophobicContact CB-CD2 4.08Å; E227-F256 HydrophobicContact CB-CE1 4.45Å; E227-F256 HydrophobicContact CB-CE2 3.83Å; E227-F256 HydrophobicContact CB-CG 4.5Å; E227-F256 HydrophobicContact CB-CZ 4.03Å; E227-F256 HydrophobicContact CG-CD1 3.65Å; E227-F256 HydrophobicContact CG-CD2 3.83Å; E227-F256 HydrophobicContact CG-CE1 3.6Å; E227-F256 HydrophobicContact CG-CE2 3.79Å; E227-F256 HydrophobicContact CG-CG 3.76Å; E227-F256 HydrophobicContact CG-CZ 3.68Å; M228-F256 HydrophobicContact CG-CE2 3.82Å; M228-F256 HydrophobicContact CG-CZ 4.32Å; M228-F256 HydrophobicContact SD-CE2 3.58Å; M228-F256 VanDerWaalsContact SD-CE2 3.58Å; M228-F256 HydrophobicContact SD-CZ 3.78Å; A231-F256 HydrophobicContact CB-CE1 3.98Å; A231-F256 HydrophobicContact CB-CZ 3.87Å; L237-F256 HydrophobicContact CD1-CE1 4.02Å; N253-F256 VanDerWaalsContact CA-CE1 3.5Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.44Å; N253-F256 HydrophobicContact CB-CZ 3.62Å; N253-F256 PolarHBondContact O-N 3.45Å; N253-F256 VanDerWaalsContact O-N 3.14Å; E254-F256 VanDerWaalsContact C-N 3.33Å; E254-F256 PolarHBondContact O-N 2.98Å; F256-P259 WeakPolarHBondContact O-CD 3.29Å; F256-E260 WeakPolarHBondContact O-CB 3.4Å; F256-E260 PolarHBondContact O-N 2.85Å
257R98.4Very high98Very high48 Ų4826.8 Ų26.818%0.18114%0.14CC..Hα-helixtrans-63.3-40.1170.7-75.5174.970-155.4-3.6112.8Y189 I193 E196 F224 M228 N253 E260Y189-R257 WeakPolarHBondContact CE1-O 3.31Å; I193-R257 HydrophobicContact CD1-CB 4.29Å; E196-R257 IonicContact OE2-CZ 3Å; E196-R257 IonicContact OE2-NH1 2.72Å; E196-R257 IonicContact OE2-NH2 3.67Å; E196-R257 PolarHBondContact OE2-NH2 2.83Å; F224-R257 HydrophobicContact CE2-CG 3.89Å; F224-R257 HydrophobicContact CZ-CG 4.02Å; M228-R257 HydrophobicContact SD-CG 3.9Å; N253-R257 HydrophobicContact CB-CG 4.46Å; N253-R257 WeakPolarHBondContact O-CB 3.43Å; N253-R257 WeakPolarHBondContact O-CG 3.34Å; N253-R257 PolarHBondContact O-N 3.1Å; N253-R257 WeakPolarHBondContact OD1-CD 3.43Å; N253-R257 PolarHBondContact OD1-NH1 3.49Å; R257-E260 WeakPolarHBondContact O-CB 3.35Å; R257-E260 PolarHBondContact O-N 3.49Å
258C98.8Very high98.1Very high0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-57.5-60.4179.6173.90000111.9L186 M190 I193 E254 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.05Å; L186-C258 PolarHBondContact O-SG 2.92Å; M190-C258 HydrophobicContact SD-CB 3.78Å; I193-C258 HydrophobicContact CD1-CB 3.96Å; E254-C258 VanDerWaalsContact O-CB 3.26Å; E254-C258 WeakPolarHBondContact O-CB 3.38Å; E254-C258 PolarHBondContact O-N 3.08Å; E254-C258 VanDerWaalsContact O-N 3.07Å; C258-E260 PolarHBondContact O-N 3.07Å; C258-A261 WeakPolarHBondContact O-CB 3.23Å; C258-A261 PolarHBondContact O-N 3.4Å
259P98.7Very high98Very high0 Ų023.4 Ų23.40%014%0.139CC..Hα-helixtrans-70.3-17.6-179.429.3-36.9000113.8C218 Y219 V220 R255 F256 A261 L262 Y307C218-P259 HydrophobicContact CB-CG 4.23Å; Y219-P259 WeakPolarHBondContact O-CG 3.46Å; V220-P259 HydrophobicContact CG2-CB 3.9Å; V220-P259 HydrophobicContact CG2-CG 4.31Å; R255-P259 WeakPolarHBondContact O-CD 3.34Å; F256-P259 WeakPolarHBondContact O-CD 3.29Å; P259-A261 PolarHBondContact O-N 3.29Å; P259-L262 WeakPolarHBondContact O-CB 3.32Å; P259-L262 PolarHBondContact O-N 3.4Å; P259-Y307 HydrophobicContact CB-CD1 4.34Å; P259-Y307 HydrophobicContact CB-CD2 3.75Å; P259-Y307 HydrophobicContact CB-CE1 4.35Å; P259-Y307 HydrophobicContact CB-CE2 3.74Å; P259-Y307 HydrophobicContact CB-CG 4.06Å
260E98.7Very high97.9Very high0 Ų026 Ų260%015%0.151CC..Hα-helixtrans-57.5-27.6172-171.663.8-160.100111.9F224 F256 R257 C258 L262 F263 Q264 F267 R313F224-E260 HydrophobicContact CB-CG 4.4Å; F224-E260 HydrophobicContact CD1-CG 4.4Å; F224-E260 HydrophobicContact CD2-CB 3.79Å; F224-E260 HydrophobicContact CD2-CG 3.42Å; F224-E260 VanDerWaalsContact CD2-CG 3.42Å; F224-E260 HydrophobicContact CE2-CB 3.81Å; F224-E260 HydrophobicContact CE2-CG 3.7Å; F224-E260 HydrophobicContact CG-CG 3.81Å; F224-E260 HydrophobicContact CZ-CG 4.29Å; F256-E260 WeakPolarHBondContact O-CB 3.4Å; F256-E260 PolarHBondContact O-N 2.85Å; R257-E260 WeakPolarHBondContact O-CB 3.35Å; R257-E260 PolarHBondContact O-N 3.49Å; C258-E260 PolarHBondContact O-N 3.07Å; E260-L262 PolarHBondContact O-N 3.21Å; E260-L262 VanDerWaalsContact O-N 3.08Å; E260-F263 CarbonylContact O-C 3.5Å; E260-F263 WeakPolarHBondContact O-CA 3.39Å; E260-F263 PolarHBondContact O-N 3.35Å; E260-Q264 HydrophobicContact CG-CG 4.39Å; E260-Q264 PolarHBondContact O-N 3.33Å; E260-F267 HydrophobicContact CB-CD2 4.33Å; E260-F267 HydrophobicContact CB-CE2 3.96Å; E260-F267 HydrophobicContact CG-CD2 4.29Å; E260-F267 HydrophobicContact CG-CE2 3.63Å; E260-F267 HydrophobicContact CG-CZ 4.29Å; E260-R313 IonicContact OE1-CZ 3.81Å; E260-R313 IonicContact OE1-NH1 3.17Å; E260-R313 PolarHBondContact OE1-NH1 2.92Å; E260-R313 IonicContact OE1-NH2 2.73Å; E260-R313 PolarHBondContact OE1-NH2 3.12Å; E260-R313 IonicContact OE2-CZ 3.09Å; E260-R313 IonicContact OE2-NH1 3.51Å; E260-R313 PolarHBondContact OE2-NH1 3.03Å; E260-R313 IonicContact OE2-NH2 2.79Å
261A98.5Very high97.8Very high0 Ų033.9 Ų33.90%019%0.185CC..THydrogen-bonded Turntrans-57.6-25.3175.500000113.4L181 L186 Y189 C258 P259 F263 Q264 P265 F267 L268L181-A261 VanDerWaalsContact CD2-O 3.24Å; L181-A261 WeakPolarHBondContact CD2-O 3.36Å; L186-A261 HydrophobicContact CD2-CB 3.8Å; Y189-A261 HydrophobicContact CD1-CB 3.96Å; Y189-A261 HydrophobicContact CE1-CB 4Å; C258-A261 WeakPolarHBondContact O-CB 3.23Å; C258-A261 PolarHBondContact O-N 3.4Å; P259-A261 PolarHBondContact O-N 3.29Å; A261-F263 VanDerWaalsContact C-N 3.28Å; A261-F263 PolarHBondContact O-N 3.36Å; A261-Q264 CarbonylContact O-C 3.55Å; A261-Q264 VanDerWaalsContact O-C 3.24Å; A261-Q264 PolarHBondContact O-N 2.82Å; A261-P265 WeakPolarHBondContact O-CA 3.23Å; A261-P265 VanDerWaalsContact O-N 3.12Å; A261-F267 HydrophobicContact CB-CB 4.33Å; A261-L268 HydrophobicContact CB-CD1 3.86Å; A261-L268 HydrophobicContact CB-CD2 4.37Å; A261-L268 HydrophobicContact CB-CG 3.94Å
262L98.7Very high97.7Very high0 Ų036 Ų360%020%0.202CC..THydrogen-bonded Turntrans-65.7-31.6171.5-67.7173.9000112.4L181 L186 P259 E260 G274 I275 Y307L181-L262 HydrophobicContact CD2-CD2 4.4Å; L181-L262 HydrophobicContact CG-CD2 4.16Å; L186-L262 HydrophobicContact CD1-CD1 3.98Å; L186-L262 HydrophobicContact CD1-CD2 4.08Å; L186-L262 HydrophobicContact CD1-CG 3.89Å; L186-L262 HydrophobicContact CD2-CG 4.35Å; P259-L262 WeakPolarHBondContact O-CB 3.32Å; P259-L262 PolarHBondContact O-N 3.4Å; E260-L262 PolarHBondContact O-N 3.21Å; E260-L262 VanDerWaalsContact O-N 3.08Å; L262-G274 CarbonylContact O-C 3.55Å; L262-G274 VanDerWaalsContact O-CA 3.25Å; L262-G274 WeakPolarHBondContact O-CA 3.16Å; L262-I275 HydrophobicContact CB-CD1 3.97Å; L262-I275 HydrophobicContact CB-CG1 4.2Å; L262-I275 HydrophobicContact CB-CG2 4.21Å; L262-I275 HydrophobicContact CD1-CD1 4.45Å; L262-I275 HydrophobicContact CD2-CG2 4.39Å; L262-I275 PolarHBondContact O-N 3.19Å; L262-Y307 HydrophobicContact CD1-CD2 4.32Å; L262-Y307 HydrophobicContact CD1-CE2 4.14Å
263F98.7Very high97.7Very high5 Ų537.7 Ų37.72%0.02221%0.214CC..THydrogen-bonded Turntrans-90.7-29.6177.5-65.5-96.2000111.6V220 E260 A261 G274 I275 H276 I310 R313 M314 E317V220-F263 HydrophobicContact CG1-CD2 4.38Å; V220-F263 HydrophobicContact CG1-CE2 3.64Å; V220-F263 HydrophobicContact CG1-CZ 4.05Å; V220-F263 HydrophobicContact CG2-CE2 4.04Å; E260-F263 CarbonylContact O-C 3.5Å; E260-F263 WeakPolarHBondContact O-CA 3.39Å; E260-F263 PolarHBondContact O-N 3.35Å; A261-F263 VanDerWaalsContact C-N 3.28Å; A261-F263 PolarHBondContact O-N 3.36Å; F263-G274 VanDerWaalsContact O-CA 3.3Å; F263-G274 WeakPolarHBondContact O-CA 3.49Å; F263-I275 HydrophobicContact CD1-CG1 4.32Å; F263-I275 HydrophobicContact CD2-CD1 4.45Å; F263-I275 HydrophobicContact CE1-CD1 4.21Å; F263-I275 HydrophobicContact CE1-CG1 4.1Å; F263-I275 HydrophobicContact CE2-CD1 3.89Å; F263-I275 HydrophobicContact CE2-CG1 4.35Å; F263-I275 HydrophobicContact CG-CG1 4.5Å; F263-I275 HydrophobicContact CZ-CD1 3.74Å; F263-I275 HydrophobicContact CZ-CG1 4.13Å; F263-H276 HydrophobicContact CD1-CB 4.3Å; F263-H276 AromaticContact CD1-CE1 3.99Å; F263-H276 AromaticContact CD1-CG 3.95Å; F263-H276 AromaticContact CD1-ND1 3.31Å; F263-H276 VanDerWaalsContact CD1-ND1 3.31Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.4Å; F263-H276 HydrophobicContact CE1-CB 4.28Å; F263-H276 PolarHBondContact O-CE1 2.91Å; F263-I310 HydrophobicContact CE2-CG1 4.26Å; F263-I310 HydrophobicContact CZ-CG1 4.05Å; F263-R313 HydrophobicContact CD1-CG 3.9Å; F263-R313 HydrophobicContact CE1-CB 4.18Å; F263-R313 HydrophobicContact CE1-CG 3.38Å; F263-R313 HydrophobicContact CE2-CG 4.12Å; F263-R313 HydrophobicContact CZ-CB 3.94Å; F263-R313 HydrophobicContact CZ-CG 3.5Å; F263-R313 VanDerWaalsContact CZ-CG 3.5Å; F263-M314 HydrophobicContact CE1-CG 4.32Å; F263-M314 HydrophobicContact CE1-SD 3.88Å; F263-M314 HydrophobicContact CZ-CG 4.21Å; F263-M314 HydrophobicContact CZ-SD 4.17Å; F263-E317 HydrophobicContact CD1-CG 4.38Å; F263-E317 HydrophobicContact CE1-CG 4.47Å
264Q98.1Very high97.8Very high62 Ų6236 Ų3629%0.2921%0.205SC..  trans-130.278.3179.1-59.3-172.47.900111E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CG 4.39Å; E260-Q264 PolarHBondContact O-N 3.33Å; A261-Q264 CarbonylContact O-C 3.55Å; A261-Q264 VanDerWaalsContact O-C 3.24Å; A261-Q264 PolarHBondContact O-N 2.82Å; Q264-S266 PolarHBondContact O-N 2.97Å; Q264-F267 HydrophobicContact CB-CD1 4.31Å; Q264-F267 HydrophobicContact CB-CE1 4.34Å; Q264-F267 HydrophobicContact CB-CG 4.46Å; Q264-F267 WeakPolarHBondContact O-CB 3.28Å; Q264-F267 PolarHBondContact O-N 2.87Å
265P98.5Very high97.8Very high2 Ų235.8 Ų35.81%0.01320%0.204CC..G310 helixtrans-57.2-19.6-179.8-27.937000114.3L181 A261 F267 L268 M270 A272L181-P265 HydrophobicContact CD2-CB 4.03Å; L181-P265 HydrophobicContact CD2-CG 3.96Å; A261-P265 WeakPolarHBondContact O-CA 3.23Å; A261-P265 VanDerWaalsContact O-N 3.12Å; P265-F267 PolarHBondContact O-N 2.91Å; P265-F267 VanDerWaalsContact O-N 3.16Å; P265-L268 WeakPolarHBondContact O-CA 3.47Å; P265-L268 WeakPolarHBondContact O-CB 3.3Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-M270 CarbonylContact C-O 3.27Å; P265-M270 HydrophobicContact CB-CB 3.81Å; P265-M270 WeakPolarHBondContact O-CB 3.34Å; P265-M270 PolarHBondContact O-N 3.39Å; P265-M270 VanDerWaalsContact O-N 3.15Å; P265-A272 HydrophobicContact CB-CB 4.24Å; P265-A272 HydrophobicContact CG-CB 4.39Å; P265-A272 WeakPolarHBondContact CG-O 3.48Å
266S97.5Very high97.8Very high81 Ų8135 Ų3557%0.56620%0.202SC*.G310 helixtrans-57.9-23.7173610000113.7Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 2.97Å; S266-L268 PolarHBondContact O-N 2.79Å; S266-G269 PolarHBondContact O-N 3.27Å; S266-M270 WeakPolarHBondContact CA-O 3.46Å; S266-M270 PolarHBondContact N-O 3.34Å
267F95.6Very high97.8Very high55 Ų5538.5 Ų38.524%0.24122%0.218CC..G310 helixtrans-61.1-22.7171.9-76.27000112.9Y189 F224 E260 A261 Q264 P265Y189-F267 HydrophobicContact CE1-CB 4.38Å; F224-F267 HydrophobicContact CE1-CE2 4.12Å; F224-F267 AromaticContact CE1-CZ 3.75Å; F224-F267 HydrophobicContact CE1-CZ 3.75Å; F224-F267 HydrophobicContact CE2-CE2 4.13Å; F224-F267 AromaticContact CZ-CE2 3.66Å; F224-F267 HydrophobicContact CZ-CE2 3.66Å; F224-F267 AromaticContact CZ-CZ 3.75Å; F224-F267 HydrophobicContact CZ-CZ 3.75Å; E260-F267 HydrophobicContact CB-CD2 4.33Å; E260-F267 HydrophobicContact CB-CE2 3.96Å; E260-F267 HydrophobicContact CG-CD2 4.29Å; E260-F267 HydrophobicContact CG-CE2 3.63Å; E260-F267 HydrophobicContact CG-CZ 4.29Å; A261-F267 HydrophobicContact CB-CB 4.33Å; Q264-F267 HydrophobicContact CB-CD1 4.31Å; Q264-F267 HydrophobicContact CB-CE1 4.34Å; Q264-F267 HydrophobicContact CB-CG 4.46Å; Q264-F267 WeakPolarHBondContact O-CB 3.28Å; Q264-F267 PolarHBondContact O-N 2.87Å; P265-F267 PolarHBondContact O-N 2.91Å; P265-F267 VanDerWaalsContact O-N 3.16Å
268L96.6Very high97.8Very high52 Ų5236.9 Ų36.927%0.27221%0.213SC..G310 helixtrans-100.84.9175.4-56.1174.5000112.4L181 D185 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.19Å; L181-L268 HydrophobicContact CD2-CD1 4.18Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; D185-L268 HydrophobicContact CB-CD1 4.49Å; Y189-L268 HydrophobicContact CD1-CD2 3.82Å; Y189-L268 HydrophobicContact CD2-CD2 3.56Å; Y189-L268 HydrophobicContact CE2-CD2 4.32Å; Y189-L268 HydrophobicContact CG-CD2 3.3Å; A261-L268 HydrophobicContact CB-CD1 3.86Å; A261-L268 HydrophobicContact CB-CD2 4.37Å; A261-L268 HydrophobicContact CB-CG 3.94Å; P265-L268 WeakPolarHBondContact O-CA 3.47Å; P265-L268 WeakPolarHBondContact O-CB 3.3Å; P265-L268 PolarHBondContact O-N 3.16Å; S266-L268 PolarHBondContact O-N 2.79Å; L268-M270 VanDerWaalsContact C-N 3.26Å; L268-M270 HydrophobicContact CB-CG 4.06Å; L268-M270 HydrophobicContact CB-SD 4.25Å; L268-M270 HydrophobicContact CD1-SD 4.23Å
269G96.1Very high97.8Very high67 Ų6736.9 Ų36.969%0.69121%0.213SC*.THydrogen-bonded Turntrans72.218.7-172.100000113.5S266S266-G269 PolarHBondContact O-N 3.27Å
270M95.9Very high97.8Very high55 Ų5539.5 Ų39.527%0.27122%0.224SC..  trans-90.5129177.5-60.5176.57200110.8L179 D180 L181 P265 S266 L268 A272L179-M270 HydrophobicContact CD1-CE 4.44Å; D180-M270 WeakPolarHBondContact O-CE 3.41Å; L181-M270 HydrophobicContact CB-CE 4.08Å; L181-M270 HydrophobicContact CB-SD 4.13Å; L181-M270 HydrophobicContact CD1-SD 4.26Å; L181-M270 HydrophobicContact CD2-SD 4.38Å; L181-M270 HydrophobicContact CG-SD 4.48Å; P265-M270 CarbonylContact C-O 3.27Å; P265-M270 HydrophobicContact CB-CB 3.81Å; P265-M270 WeakPolarHBondContact O-CB 3.34Å; P265-M270 PolarHBondContact O-N 3.39Å; P265-M270 VanDerWaalsContact O-N 3.15Å; S266-M270 WeakPolarHBondContact CA-O 3.46Å; S266-M270 PolarHBondContact N-O 3.34Å; L268-M270 VanDerWaalsContact C-N 3.26Å; L268-M270 HydrophobicContact CB-CG 4.06Å; L268-M270 HydrophobicContact CB-SD 4.25Å; L268-M270 HydrophobicContact CD1-SD 4.23Å; M270-A272 VanDerWaalsContact C-N 3.31Å; M270-A272 PolarHBondContact O-N 3.07Å; M270-A272 VanDerWaalsContact O-N 3.14Å
271E95.8Very high97.8Very high208 Ų20842.3 Ų42.397%0.97224%0.239SC*.  trans-85.273.5169.9-65.2-175.9175.400109.9
272A96.7Very high97.8Very high43 Ų4342.3 Ų42.336%0.35524%0.239SC..  trans-143.1153179.600000111.5L179 P265 M270L179-A272 HydrophobicContact CD1-CB 3.53Å; P265-A272 HydrophobicContact CB-CB 4.24Å; P265-A272 HydrophobicContact CG-CB 4.39Å; P265-A272 WeakPolarHBondContact CG-O 3.48Å; M270-A272 VanDerWaalsContact C-N 3.31Å; M270-A272 PolarHBondContact O-N 3.07Å; M270-A272 VanDerWaalsContact O-N 3.14Å
273S98.1Very high97.8Very high39 Ų3942.3 Ų42.327%0.27324%0.239SC..  trans-67.6144.8171.4-81.60000111.2E277 T278S273-E277 VanDerWaalsContact CB-OE2 3.24Å; S273-E277 WeakPolarHBondContact CB-OE2 3.37Å; S273-E277 PolarHBondContact OG-OE2 3.17Å; S273-T278 PolarHBondContact O-OG1 2.79Å
274G98.6Very high97.8Very high1 Ų144.4 Ų44.41%0.0125%0.249CC..  trans-63169.4171.100000113L262 F263 H276 E277 T278L262-G274 CarbonylContact O-C 3.55Å; L262-G274 VanDerWaalsContact O-CA 3.25Å; L262-G274 WeakPolarHBondContact O-CA 3.16Å; F263-G274 VanDerWaalsContact O-CA 3.3Å; F263-G274 WeakPolarHBondContact O-CA 3.49Å; G274-H276 VanDerWaalsContact C-N 3.26Å; G274-H276 PolarHBondContact O-N 3.03Å; G274-E277 PolarHBondContact O-N 3.09Å; G274-T278 VanDerWaalsContact O-CB 3.28Å; G274-T278 WeakPolarHBondContact O-CB 3.41Å; G274-T278 PolarHBondContact O-N 3.47Å; G274-T278 PolarHBondContact O-OG1 2.79Å
275I98.7Very high97.8Very high2 Ų246.8 Ų46.81%0.0126%0.259CS..Hα-helixtrans-60.8-32.4-177.856169.6000113.7L154 T161 L179 L262 F263 T279 I310 M314L154-I275 HydrophobicContact CD1-CB 4.15Å; L154-I275 HydrophobicContact CD1-CG2 4.29Å; L154-I275 HydrophobicContact CD2-CB 3.98Å; L154-I275 HydrophobicContact CD2-CD1 3.89Å; L154-I275 HydrophobicContact CD2-CG1 4.34Å; T161-I275 HydrophobicContact CG2-CG2 3.92Å; L179-I275 HydrophobicContact CD2-CG2 4.25Å; L262-I275 HydrophobicContact CB-CD1 3.97Å; L262-I275 HydrophobicContact CB-CG1 4.2Å; L262-I275 HydrophobicContact CB-CG2 4.21Å; L262-I275 HydrophobicContact CD1-CD1 4.45Å; L262-I275 HydrophobicContact CD2-CG2 4.39Å; L262-I275 PolarHBondContact O-N 3.19Å; F263-I275 HydrophobicContact CD1-CG1 4.32Å; F263-I275 HydrophobicContact CD2-CD1 4.45Å; F263-I275 HydrophobicContact CE1-CD1 4.21Å; F263-I275 HydrophobicContact CE1-CG1 4.1Å; F263-I275 HydrophobicContact CE2-CD1 3.89Å; F263-I275 HydrophobicContact CE2-CG1 4.35Å; F263-I275 HydrophobicContact CG-CG1 4.5Å; F263-I275 HydrophobicContact CZ-CD1 3.74Å; F263-I275 HydrophobicContact CZ-CG1 4.13Å; I275-T279 VanDerWaalsContact O-CB 3.32Å; I275-T279 WeakPolarHBondContact O-CB 3.25Å; I275-T279 PolarHBondContact O-N 2.78Å; I275-T279 PolarHBondContact O-OG1 2.92Å; I275-I310 HydrophobicContact CD1-CD1 4.04Å; I275-I310 HydrophobicContact CD1-CG1 4.46Å; I275-M314 HydrophobicContact CD1-SD 3.88Å; I275-M314 HydrophobicContact CG1-SD 3.88Å
276H98.6Very high97.7Very high15 Ų1546.8 Ų46.87%0.06926%0.259CS..Hα-helixtrans-70-49.4177.960-70.5000111.5F263 G274 T279 Y280 M314 E317F263-H276 HydrophobicContact CD1-CB 4.3Å; F263-H276 AromaticContact CD1-CE1 3.99Å; F263-H276 AromaticContact CD1-CG 3.95Å; F263-H276 AromaticContact CD1-ND1 3.31Å; F263-H276 VanDerWaalsContact CD1-ND1 3.31Å; F263-H276 WeakPolarHBondContact CD1-ND1 3.4Å; F263-H276 HydrophobicContact CE1-CB 4.28Å; F263-H276 PolarHBondContact O-CE1 2.91Å; G274-H276 VanDerWaalsContact C-N 3.26Å; G274-H276 PolarHBondContact O-N 3.03Å; H276-T279 PolarHBondContact O-N 2.86Å; H276-Y280 PolarHBondContact O-N 2.83Å; H276-M314 HydrophobicContact CB-SD 3.85Å; H276-E317 HydrophobicContact CB-CB 3.64Å; H276-E317 HydrophobicContact CB-CG 4.3Å
277E98.5Very high97.7Very high74 Ų7448.5 Ų48.535%0.34626%0.261SS..Hα-helixtrans-63.1-42.8173.2-79.5178.8-167.800111.8S273 G274 T279 Y280 N281 L321S273-E277 VanDerWaalsContact CB-OE2 3.24Å; S273-E277 WeakPolarHBondContact CB-OE2 3.37Å; S273-E277 PolarHBondContact OG-OE2 3.17Å; G274-E277 PolarHBondContact O-N 3.09Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.41Å; E277-Y280 WeakPolarHBondContact O-CB 3.32Å; E277-Y280 PolarHBondContact O-N 3.42Å; E277-N281 VanDerWaalsContact O-CB 3.27Å; E277-N281 WeakPolarHBondContact O-CB 3.41Å; E277-N281 PolarHBondContact O-N 3.35Å; E277-N281 PolarHBondContact O-ND2 3.25Å; E277-L321 HydrophobicContact CG-CD1 3.98Å
278T98.7Very high97.7Very high13 Ų1350.5 Ų50.58%0.0828%0.278CS..Hα-helixtrans-60.5-42.7176.7-60.50000110.5T163 L177 S273 G274 N281 S282T163-T278 HydrophobicContact CG2-CG2 3.86Å; L177-T278 HydrophobicContact CB-CG2 3.71Å; L177-T278 HydrophobicContact CD1-CG2 3.99Å; L177-T278 WeakPolarHBondContact CD1-O 3.3Å; S273-T278 PolarHBondContact O-OG1 2.79Å; G274-T278 VanDerWaalsContact O-CB 3.28Å; G274-T278 WeakPolarHBondContact O-CB 3.41Å; G274-T278 PolarHBondContact O-N 3.47Å; G274-T278 PolarHBondContact O-OG1 2.79Å; T278-N281 PolarHBondContact O-N 2.73Å; T278-S282 WeakPolarHBondContact O-CB 3.45Å; T278-S282 PolarHBondContact O-N 2.85Å
279T98.8Very high97.7Very high0 Ų054.9 Ų54.90%030%0.302CS..Hα-helixtrans-63.4-46.4175.3-57.50000111.2I152 T163 I275 H276 E277 N281 S282 I283 T298 I318I152-T279 HydrophobicContact CD1-CG2 3.98Å; I152-T279 HydrophobicContact CG1-CG2 4.5Å; I152-T279 HydrophobicContact CG2-CG2 4.22Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.41Å; I275-T279 VanDerWaalsContact O-CB 3.32Å; I275-T279 WeakPolarHBondContact O-CB 3.25Å; I275-T279 PolarHBondContact O-N 2.78Å; I275-T279 PolarHBondContact O-OG1 2.92Å; H276-T279 PolarHBondContact O-N 2.86Å; E277-T279 VanDerWaalsContact C-N 3.31Å; E277-T279 PolarHBondContact O-N 3.41Å; T279-N281 PolarHBondContact O-N 2.9Å; T279-S282 WeakPolarHBondContact O-CB 3.42Å; T279-S282 PolarHBondContact O-N 3.32Å; T279-I283 HydrophobicContact CG2-CD1 4.44Å; T279-I283 WeakPolarHBondContact O-CG1 3.3Å; T279-I283 PolarHBondContact O-N 3.29Å; T279-I283 VanDerWaalsContact O-N 3.11Å; T279-T298 HydrophobicContact CG2-CG2 4.06Å; T279-I318 HydrophobicContact CG2-CD1 3.84Å
280Y98.5Very high97.7Very high55 Ų5552.8 Ų52.822%0.21627%0.274CS..Hα-helixtrans-58.3-47.7175.1167.2-94000112.4H276 E277 S282 I283 M284 Y295 L321H276-Y280 PolarHBondContact O-N 2.83Å; E277-Y280 WeakPolarHBondContact O-CB 3.32Å; E277-Y280 PolarHBondContact O-N 3.42Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 2.9Å; Y280-I283 PolarHBondContact O-N 3.14Å; Y280-I283 VanDerWaalsContact O-N 3.15Å; Y280-M284 HydrophobicContact CD1-CG 4.17Å; Y280-M284 HydrophobicContact CD2-CE 4.44Å; Y280-M284 HydrophobicContact CD2-CG 4.34Å; Y280-M284 HydrophobicContact CE1-CG 3.66Å; Y280-M284 HydrophobicContact CE2-CE 3.77Å; Y280-M284 HydrophobicContact CE2-CG 3.87Å; Y280-M284 HydrophobicContact CE2-SD 4.34Å; Y280-M284 HydrophobicContact CG-CG 4.48Å; Y280-M284 VanDerWaalsContact CZ-CG 3.5Å; Y280-M284 WeakPolarHBondContact O-CG 3.41Å; Y280-M284 PolarHBondContact O-N 3.3Å; Y280-Y295 HydrophobicContact CD2-CE1 4.5Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.28Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.32Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.4Å; Y280-L321 HydrophobicContact CD2-CB 3.67Å; Y280-L321 HydrophobicContact CE2-CB 4Å; Y280-L321 WeakPolarHBondContact CE2-O 3.48Å; Y280-L321 HydrophobicContact CG-CB 3.96Å; Y280-L321 HydrophobicContact CG-CD1 4.15Å
281N98.6Very high97.8Very high60 Ų6052.6 Ų52.632%0.32127%0.271SS..Hα-helixtrans-62.2-37.9-179.7-73.2-26.8000111.5L177 E277 T278 T279 M284 K285L177-N281 HydrophobicContact CD1-CB 3.72Å; E277-N281 VanDerWaalsContact O-CB 3.27Å; E277-N281 WeakPolarHBondContact O-CB 3.41Å; E277-N281 PolarHBondContact O-N 3.35Å; E277-N281 PolarHBondContact O-ND2 3.25Å; T278-N281 PolarHBondContact O-N 2.73Å; T279-N281 PolarHBondContact O-N 2.9Å; N281-M284 PolarHBondContact O-N 3.21Å; N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 3.11Å; N281-K285 VanDerWaalsContact O-N 3.08Å
282S98.7Very high97.9Very high0 Ų049.4 Ų49.40%025%0.253CS..Hα-helixtrans-62.8-45.8173.8179.40000111.6I152 T163 P165 A175 T278 T279 Y280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.49Å; T163-S282 VanDerWaalsContact OG1-CB 3.28Å; T163-S282 WeakPolarHBondContact OG1-CB 3.44Å; P165-S282 WeakPolarHBondContact CD-OG 3.47Å; P165-S282 WeakPolarHBondContact CG-OG 3.49Å; A175-S282 WeakPolarHBondContact O-CB 3.27Å; A175-S282 PolarHBondContact O-OG 3.07Å; T278-S282 WeakPolarHBondContact O-CB 3.45Å; T278-S282 PolarHBondContact O-N 2.85Å; T279-S282 WeakPolarHBondContact O-CB 3.42Å; T279-S282 PolarHBondContact O-N 3.32Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 2.9Å; S282-M284 VanDerWaalsContact C-N 3.31Å; S282-M284 PolarHBondContact O-N 3.43Å; S282-K285 PolarHBondContact O-N 3.39Å; S282-C286 PolarHBondContact O-SG 3.4Å
283I98.5Very high97.9Very high0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-62.5-38.4174.1-61.4169.8000111.3I152 T279 Y280 K285 C286 R291 L294 Y295I152-I283 HydrophobicContact CD1-CD1 4.4Å; I152-I283 HydrophobicContact CD1-CG1 3.66Å; I152-I283 HydrophobicContact CG2-CD1 4.04Å; I152-I283 HydrophobicContact CG2-CG1 4.22Å; T279-I283 HydrophobicContact CG2-CD1 4.44Å; T279-I283 WeakPolarHBondContact O-CG1 3.3Å; T279-I283 PolarHBondContact O-N 3.29Å; T279-I283 VanDerWaalsContact O-N 3.11Å; Y280-I283 PolarHBondContact O-N 3.14Å; Y280-I283 VanDerWaalsContact O-N 3.15Å; I283-K285 PolarHBondContact O-N 3.21Å; I283-C286 WeakPolarHBondContact O-CB 3.4Å; I283-C286 PolarHBondContact O-N 2.89Å; I283-C286 VanDerWaalsContact O-N 3.09Å; I283-R291 HydrophobicContact CG2-CB 3.88Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 3.4Å; I283-L294 HydrophobicContact CD1-CB 4.39Å; I283-L294 HydrophobicContact CG1-CB 4.08Å; I283-L294 HydrophobicContact CG1-CD1 4.42Å; I283-L294 HydrophobicContact CG2-CB 4.24Å; I283-L294 HydrophobicContact CG2-CD1 4.27Å; I283-Y295 HydrophobicContact CB-CE1 4.43Å; I283-Y295 HydrophobicContact CD1-CD1 3.43Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.43Å; I283-Y295 HydrophobicContact CD1-CE1 3.42Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.42Å; I283-Y295 HydrophobicContact CD1-CG 4.13Å; I283-Y295 HydrophobicContact CG2-CD1 4.49Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.13Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.47Å
284M97.8Very high97.9Very high48 Ų4848.6 Ų48.624%0.23624%0.24CC..Hα-helixtrans-68.5-21.4178.4-76.2-62.3128.800113.8Y280 N281 S282 C286 R291 Y295Y280-M284 HydrophobicContact CD1-CG 4.17Å; Y280-M284 HydrophobicContact CD2-CE 4.44Å; Y280-M284 HydrophobicContact CD2-CG 4.34Å; Y280-M284 HydrophobicContact CE1-CG 3.66Å; Y280-M284 HydrophobicContact CE2-CE 3.77Å; Y280-M284 HydrophobicContact CE2-CG 3.87Å; Y280-M284 HydrophobicContact CE2-SD 4.34Å; Y280-M284 HydrophobicContact CG-CG 4.48Å; Y280-M284 VanDerWaalsContact CZ-CG 3.5Å; Y280-M284 WeakPolarHBondContact O-CG 3.41Å; Y280-M284 PolarHBondContact O-N 3.3Å; N281-M284 PolarHBondContact O-N 3.21Å; S282-M284 VanDerWaalsContact C-N 3.31Å; S282-M284 PolarHBondContact O-N 3.43Å; M284-C286 VanDerWaalsContact C-N 3.31Å; M284-R291 PolarHBondContact O-NH2 3.02Å; M284-R291 PolarHBondContact SD-NH1 3.01Å; M284-Y295 HydrophobicContact CE-CE2 4.11Å; M284-Y295 WeakPolarHBondContact CE-OH 2.98Å
285K98.4Very high97.9Very high113 Ų11348.6 Ų48.649%0.49124%0.24SC..Hα-helixtrans-78.3-15.2171.4-73.7-178.4174.2-162.50113.3A175 L177 N281 S282 I283A175-K285 HydrophobicContact CB-CB 3.7Å; L177-K285 HydrophobicContact CD2-CD 4.13Å; L177-K285 VanDerWaalsContact CD2-NZ 3.31Å; N281-K285 WeakPolarHBondContact O-CG 3.4Å; N281-K285 PolarHBondContact O-N 3.11Å; N281-K285 VanDerWaalsContact O-N 3.08Å; S282-K285 PolarHBondContact O-N 3.39Å; I283-K285 PolarHBondContact O-N 3.21Å
286C98Very high97.8Very high2 Ų249.9 Ų49.91%0.01425%0.249CC..SBendtrans-83.6159.6176.6-61.70000112.3A175 S282 I283 M284 I290 R291 L294A175-C286 VanDerWaalsContact CB-SG 3.55Å; S282-C286 PolarHBondContact O-SG 3.4Å; I283-C286 WeakPolarHBondContact O-CB 3.4Å; I283-C286 PolarHBondContact O-N 2.89Å; I283-C286 VanDerWaalsContact O-N 3.09Å; M284-C286 VanDerWaalsContact C-N 3.31Å; C286-I290 HydrophobicContact CB-CD1 3.92Å; C286-I290 HydrophobicContact CB-CG1 4.05Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 3.12Å; C286-R291 PolarHBondContact O-NH2 2.97Å; C286-L294 HydrophobicContact CB-CD1 3.77Å; C286-L294 VanDerWaalsContact SG-CD1 3.57Å
287D96.6Very high97.7Very high116 Ų11650.7 Ų50.762%0.6225%0.254SS*.  trans-59.3142.8174.5-68.2-39.8000111.9D289 I290 R291D287-D289 PolarHBondContact O-N 3.21Å; D287-D289 VanDerWaalsContact O-N 3.15Å; D287-I290 VanDerWaalsContact O-CG1 3.3Å; D287-I290 WeakPolarHBondContact O-CG1 3.34Å; D287-I290 PolarHBondContact O-N 3.34Å; D287-R291 WeakPolarHBondContact O-CG 3.46Å; D287-R291 PolarHBondContact O-N 2.71Å
288V95.7Very high97.7Very high97 Ų9747.1 Ų47.159%0.58824%0.237SC*.Hα-helixtrans-55.1-37.4-174.4173.70000112.1I290 R291V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 3.31Å; V288-R291 PolarHBondContact O-N 2.92Å
289D95.8Very high97.7Very high145 Ų14546.5 Ų46.578%0.77523%0.234SC*.Hα-helixtrans-65.1-29.6-174-62.8-22.7000113D287D287-D289 PolarHBondContact O-N 3.21Å; D287-D289 VanDerWaalsContact O-N 3.15Å
290I96.8Very high97.7Very high22 Ų2246.5 Ų46.511%0.11323%0.234CC..Hα-helixtrans-96.3-13.8-178.167.5165.3000113.3Y167 L172 C286 D287 V288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 4.04Å; Y167-I290 HydrophobicContact CD2-CD1 4.34Å; Y167-I290 HydrophobicContact CD2-CG2 3.58Å; Y167-I290 HydrophobicContact CE2-CB 4.26Å; Y167-I290 HydrophobicContact CE2-CG2 3.47Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.47Å; Y167-I290 HydrophobicContact CG-CG2 4.38Å; L172-I290 HydrophobicContact CD1-CD1 3.49Å; L172-I290 VanDerWaalsContact CD1-CD1 3.49Å; C286-I290 HydrophobicContact CB-CD1 3.92Å; C286-I290 HydrophobicContact CB-CG1 4.05Å; D287-I290 VanDerWaalsContact O-CG1 3.3Å; D287-I290 WeakPolarHBondContact O-CG1 3.34Å; D287-I290 PolarHBondContact O-N 3.34Å; V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 3.31Å; I290-K292 PolarHBondContact O-N 3.08Å; I290-K292 VanDerWaalsContact O-N 3.17Å; I290-D293 PolarHBondContact O-N 3.08Å; I290-L294 HydrophobicContact CD1-CD1 4.16Å; I290-L294 HydrophobicContact CG1-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.45Å; I290-L294 PolarHBondContact O-N 2.95Å; I290-L294 VanDerWaalsContact O-N 3.09Å
291R97.9Very high97.7Very high52 Ų5243.9 Ų43.920%0.19622%0.223CC..Hα-helixtrans-58.1-35.9-175-64.4-175.9-171.1176.40.6113I283 M284 C286 D287 V288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.88Å; I283-R291 HydrophobicContact CG2-CG 3.87Å; I283-R291 PolarHBondContact O-NE 3.4Å; M284-R291 PolarHBondContact O-NH2 3.02Å; M284-R291 PolarHBondContact SD-NH1 3.01Å; C286-R291 VanDerWaalsContact O-CZ 3.29Å; C286-R291 PolarHBondContact O-NE 3.12Å; C286-R291 PolarHBondContact O-NH2 2.97Å; D287-R291 WeakPolarHBondContact O-CG 3.46Å; D287-R291 PolarHBondContact O-N 2.71Å; V288-R291 PolarHBondContact O-N 2.92Å; R291-D293 VanDerWaalsContact C-N 3.3Å; R291-D293 PolarHBondContact O-N 2.81Å; R291-L294 PolarHBondContact O-N 2.98Å; R291-Y295 HydrophobicContact CB-CD2 4.33Å; R291-Y295 HydrophobicContact CB-CE2 4.29Å; R291-Y295 WeakPolarHBondContact O-CB 3.42Å; R291-Y295 WeakPolarHBondContact O-CD2 3.47Å; R291-Y295 PolarHBondContact O-N 3.15Å
292K97.1Very high97.7Very high140 Ų14041.5 Ų41.561%0.60921%0.212SC*.Hα-helixtrans-59.4-42176.8-179.8-175.1171.8-170.60111.6I290 S296 M326I290-K292 PolarHBondContact O-N 3.08Å; I290-K292 VanDerWaalsContact O-N 3.17Å; K292-S296 WeakPolarHBondContact O-CB 3.38Å; K292-S296 PolarHBondContact O-N 3.33Å; K292-S296 VanDerWaalsContact O-N 3.14Å; K292-S296 PolarHBondContact O-OG 3.49Å; K292-M326 HydrophobicContact CB-SD 4.1Å; K292-M326 HydrophobicContact CG-SD 4.48Å
293D97Very high97.6Very high66 Ų6643.5 Ų43.535%0.35323%0.234SC..Hα-helixtrans-73.4-36.3179.9-63.3-31.8000111.4T150 I290 R291 S296 N297T150-D293 HydrophobicContact CG2-CB 3.86Å; I290-D293 PolarHBondContact O-N 3.08Å; R291-D293 VanDerWaalsContact C-N 3.3Å; R291-D293 PolarHBondContact O-N 2.81Å; D293-S296 PolarHBondContact O-N 3.38Å; D293-S296 PolarHBondContact O-OG 3.31Å; D293-N297 WeakPolarHBondContact O-CB 3.46Å; D293-N297 PolarHBondContact O-N 2.86Å; D293-N297 PolarHBondContact O-ND2 2.94Å
294L98.1Very high97.6Very high0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-64-47.8174-58.9-179.6000111.8G151 P165 I283 C286 I290 R291 S296 N297 T298G151-L294 VanDerWaalsContact C-CD2 3.46Å; G151-L294 VanDerWaalsContact O-CD2 3.3Å; G151-L294 WeakPolarHBondContact O-CD2 3.24Å; P165-L294 HydrophobicContact CB-CD1 4.05Å; P165-L294 HydrophobicContact CB-CD2 4.28Å; I283-L294 HydrophobicContact CD1-CB 4.39Å; I283-L294 HydrophobicContact CG1-CB 4.08Å; I283-L294 HydrophobicContact CG1-CD1 4.42Å; I283-L294 HydrophobicContact CG2-CB 4.24Å; I283-L294 HydrophobicContact CG2-CD1 4.27Å; C286-L294 HydrophobicContact CB-CD1 3.77Å; C286-L294 VanDerWaalsContact SG-CD1 3.57Å; I290-L294 HydrophobicContact CD1-CD1 4.16Å; I290-L294 HydrophobicContact CG1-CD1 4.25Å; I290-L294 WeakPolarHBondContact O-CG 3.45Å; I290-L294 PolarHBondContact O-N 2.95Å; I290-L294 VanDerWaalsContact O-N 3.09Å; R291-L294 PolarHBondContact O-N 2.98Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.11Å; L294-N297 CarbonylContact O-C 3.55Å; L294-N297 VanDerWaalsContact O-C 3.27Å; L294-N297 PolarHBondContact O-N 3.4Å; L294-N297 VanDerWaalsContact O-N 3.15Å; L294-T298 PolarHBondContact O-N 3.09Å; L294-T298 PolarHBondContact O-OG1 3.21Å
295Y98.1Very high97.6Very high0 Ų041.6 Ų41.60%023%0.225CC..Hα-helixtrans-62.5-36178.1-82.7-52000113.6Y280 I283 M284 R291 N297 I318 A322 M326 I328 K329Y280-Y295 HydrophobicContact CD2-CE1 4.5Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.28Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.32Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.4Å; I283-Y295 HydrophobicContact CB-CE1 4.43Å; I283-Y295 HydrophobicContact CD1-CD1 3.43Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.43Å; I283-Y295 HydrophobicContact CD1-CE1 3.42Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.42Å; I283-Y295 HydrophobicContact CD1-CG 4.13Å; I283-Y295 HydrophobicContact CG2-CD1 4.49Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.13Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.47Å; M284-Y295 HydrophobicContact CE-CE2 4.11Å; M284-Y295 WeakPolarHBondContact CE-OH 2.98Å; R291-Y295 HydrophobicContact CB-CD2 4.33Å; R291-Y295 HydrophobicContact CB-CE2 4.29Å; R291-Y295 WeakPolarHBondContact O-CB 3.42Å; R291-Y295 WeakPolarHBondContact O-CD2 3.47Å; R291-Y295 PolarHBondContact O-N 3.15Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 3.08Å; Y295-I318 HydrophobicContact CD1-CG2 3.91Å; Y295-I318 HydrophobicContact CE1-CG2 3.86Å; Y295-A322 HydrophobicContact CD1-CB 4.25Å; Y295-A322 HydrophobicContact CE1-CB 3.68Å; Y295-A322 HydrophobicContact CE2-CB 4.25Å; Y295-M326 HydrophobicContact CD2-CB 3.98Å; Y295-M326 HydrophobicContact CD2-CG 3.73Å; Y295-M326 HydrophobicContact CD2-SD 4Å; Y295-M326 HydrophobicContact CE2-CB 4.49Å; Y295-M326 HydrophobicContact CE2-CG 4Å; Y295-M326 HydrophobicContact CG-CB 4.38Å; Y295-I328 HydrophobicContact CD1-CD1 3.36Å; Y295-I328 HydrophobicContact CD2-CD1 4.44Å; Y295-I328 HydrophobicContact CE1-CD1 4.1Å; Y295-I328 HydrophobicContact CG-CD1 3.58Å; Y295-I328 WeakPolarHBondContact O-CA 3.35Å; Y295-K329 PolarHBondContact O-N 3.3Å
296S97.3Very high97.6Very high29 Ų2939.2 Ų39.220%0.20322%0.216CC..THydrogen-bonded Turntrans-83.2-217961.90000113.8K292 D293 L294 K329K292-S296 WeakPolarHBondContact O-CB 3.38Å; K292-S296 PolarHBondContact O-N 3.33Å; K292-S296 VanDerWaalsContact O-N 3.14Å; K292-S296 PolarHBondContact O-OG 3.49Å; D293-S296 PolarHBondContact O-N 3.38Å; D293-S296 PolarHBondContact O-OG 3.31Å; L294-S296 VanDerWaalsContact C-N 3.31Å; L294-S296 PolarHBondContact O-N 3.11Å; S296-K329 WeakPolarHBondContact O-CB 3.38Å
297N97.5Very high97.7Very high32 Ų3239.8 Ų39.817%0.17122%0.218CC..THydrogen-bonded Turntrans-141.156.4179.2-63.7-65.3000111.5R148 G151 I152 D293 L294 Y295 V299R148-N297 WeakPolarHBondContact CD-OD1 3.47Å; R148-N297 PolarHBondContact NE-OD1 3.26Å; G151-N297 VanDerWaalsContact CA-O 3.3Å; G151-N297 WeakPolarHBondContact CA-O 3.49Å; I152-N297 PolarHBondContact N-O 2.84Å; D293-N297 WeakPolarHBondContact O-CB 3.46Å; D293-N297 PolarHBondContact O-N 2.86Å; D293-N297 PolarHBondContact O-ND2 2.94Å; L294-N297 CarbonylContact O-C 3.55Å; L294-N297 VanDerWaalsContact O-C 3.27Å; L294-N297 PolarHBondContact O-N 3.4Å; L294-N297 VanDerWaalsContact O-N 3.15Å; Y295-N297 VanDerWaalsContact C-N 3.27Å; Y295-N297 PolarHBondContact O-N 3.08Å; N297-V299 PolarHBondContact O-N 3.43Å
298T98.6Very high97.8Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-84.3106.9170.6-59.70000109.5I152 T279 L294 I318 K329 I330 V331I152-T298 HydrophobicContact CG2-CG2 4.1Å; I152-T298 WeakPolarHBondContact CG2-OG1 3.32Å; I152-T298 CarbonylContact O-C 3.58Å; I152-T298 WeakPolarHBondContact O-CA 3.35Å; T279-T298 HydrophobicContact CG2-CG2 4.06Å; L294-T298 PolarHBondContact O-N 3.09Å; L294-T298 PolarHBondContact O-OG1 3.21Å; T298-I318 HydrophobicContact CG2-CD1 4.33Å; T298-K329 PolarHBondContact N-O 3.02Å; T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.57Å; T298-I330 WeakPolarHBondContact O-CA 3.36Å; T298-V331 PolarHBondContact O-N 3.32Å
299V98.7Very high97.9Very high0 Ų035 Ų350%020%0.2CC..EExtended strand (participates in β ladder)trans-99128.9-176.9-176.70000110.4L143 I152 V153 L154 N297 V331L143-V299 HydrophobicContact CD1-CB 4.46Å; L143-V299 HydrophobicContact CD1-CG2 3.68Å; I152-V299 PolarHBondContact O-N 2.99Å; V153-V299 CarbonylContact C-O 3.5Å; V153-V299 WeakPolarHBondContact CA-O 3.32Å; V153-V299 HydrophobicContact CG2-CB 4.25Å; L154-V299 PolarHBondContact N-O 3.05Å; N297-V299 PolarHBondContact O-N 3.43Å; V299-V331 WeakPolarHBondContact CA-O 3.48Å; V299-V331 HydrophobicContact CG2-CB 4.11Å; V299-V331 HydrophobicContact CG2-CG1 4.49Å
300L98.8Very high98.1Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-89.9131.4174.2-55.6-169.1000110.2L154 T305 I310 A311 I330 V331 A332 R336L154-L300 HydrophobicContact CB-CD2 4.01Å; L154-L300 HydrophobicContact CD2-CD2 3.94Å; L154-L300 HydrophobicContact CG-CD2 4.4Å; L300-T305 HydrophobicContact CB-CG2 4.34Å; L300-I310 HydrophobicContact CD1-CG2 4Å; L300-A311 HydrophobicContact CD1-CB 4.16Å; L300-I330 HydrophobicContact CD1-CG2 3.8Å; L300-I330 HydrophobicContact CD2-CG2 4.11Å; L300-I330 HydrophobicContact CG-CG2 3.73Å; L300-V331 PolarHBondContact N-O 3.12Å; L300-A332 HydrophobicContact CB-CB 4.37Å; L300-A332 HydrophobicContact CD1-CB 3.99Å; L300-A332 HydrophobicContact CG-CB 4.34Å; L300-R336 WeakPolarHBondContact O-CB 3.34Å
301S98.5Very high98.1Very high0 Ų028.3 Ų28.30%017%0.168CC..EExtended strand (participates in β ladder)trans-136.2151.4-180176.50000111.3S142 L154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.41Å; S142-S301 PolarHBondContact OG-OG 3.25Å; L154-S301 PolarHBondContact O-N 3.17Å; D155-S301 WeakPolarHBondContact CA-O 3.49Å; D155-S301 VanDerWaalsContact OD2-CB 3.26Å; D155-S301 WeakPolarHBondContact OD2-CB 3.26Å; D155-S301 PolarHBondContact OD2-OG 3.3Å; S156-S301 PolarHBondContact N-O 3.26Å; S301-T305 WeakPolarHBondContact O-CG2 3.44Å; S301-T305 PolarHBondContact O-OG1 2.94Å
302G97.8Very high98.2Very high9 Ų930.8 Ų30.89%0.09319%0.185CC..SBendtrans90.6160.617300000114.4S156 S304 T305 R336S156-G302 CarbonylContact O-C 3.57Å; S156-G302 WeakPolarHBondContact O-CA 3.39Å; G302-S304 PolarHBondContact O-N 3.2Å; G302-T305 PolarHBondContact O-N 2.94Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.29Å; G302-R336 PolarHBondContact N-O 2.83Å; G302-R336 VanDerWaalsContact N-O 3.14Å
303G97.2Very high98.3Very high43 Ų4324.6 Ų24.644%0.44316%0.158SC..G310 helixtrans-63-35.2-169.700000114.6S156 T305 M306S156-G303 PolarHBondContact O-N 3.09Å; G303-T305 PolarHBondContact O-N 3.12Å; G303-M306 WeakPolarHBondContact O-CB 3.4Å; G303-M306 VanDerWaalsContact O-CG 3.29Å; G303-M306 WeakPolarHBondContact O-CG 3.26Å; G303-M306 PolarHBondContact O-N 2.84Å
304S98.3Very high98.3Very high6 Ų621.4 Ų21.44%0.04214%0.141CC..G310 helixtrans-74.8-9.4179.2-65.60000112.8S156 G157 G183 G302 M306 Y307S156-S304 WeakPolarHBondContact O-CB 3.47Å; S156-S304 PolarHBondContact O-N 3.18Å; S156-S304 VanDerWaalsContact OG-CB 3.24Å; S156-S304 WeakPolarHBondContact OG-CB 3.48Å; G157-S304 PolarHBondContact O-OG 3.44Å; G183-S304 WeakPolarHBondContact CA-OG 3.42Å; G183-S304 PolarHBondContact N-OG 2.8Å; G183-S304 VanDerWaalsContact N-OG 3.16Å; G302-S304 PolarHBondContact O-N 3.2Å; S304-M306 VanDerWaalsContact C-N 3.31Å; S304-Y307 WeakPolarHBondContact O-CD2 3.34Å; S304-Y307 WeakPolarHBondContact O-CE2 3.42Å
305T98.6Very high98.4Very high1 Ų124.4 Ų24.41%0.00616%0.155CC..G310 helixtrans-88.94.9168.275.70000113.3L300 S301 G302 G303 Y307 I310 R336L300-T305 HydrophobicContact CB-CG2 4.34Å; S301-T305 WeakPolarHBondContact O-CG2 3.44Å; S301-T305 PolarHBondContact O-OG1 2.94Å; G302-T305 PolarHBondContact O-N 2.94Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.29Å; G303-T305 PolarHBondContact O-N 3.12Å; T305-Y307 VanDerWaalsContact C-N 3.32Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.26Å; T305-R336 VanDerWaalsContact O-CZ 3.26Å; T305-R336 PolarHBondContact O-NE 3.07Å; T305-R336 PolarHBondContact O-NH2 3.46Å
306M98.4Very high98.4Very high63 Ų6328 Ų2831%0.3117%0.171SC..  trans-81.4-8.7179.9-65-62.7-62.600113.8G303 S304 P334 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.4Å; G303-M306 VanDerWaalsContact O-CG 3.29Å; G303-M306 WeakPolarHBondContact O-CG 3.26Å; G303-M306 PolarHBondContact O-N 2.84Å; S304-M306 VanDerWaalsContact C-N 3.31Å; M306-P334 WeakPolarHBondContact CE-O 3.44Å; M306-R336 HydrophobicContact SD-CG 3.44Å; M306-R336 WeakPolarHBondContact SD-CG 3.38Å; M306-K337 HydrophobicContact CE-CG 4.34Å; M306-K337 HydrophobicContact CG-CB 4Å; M306-K337 HydrophobicContact SD-CB 3.92Å; M306-K337 HydrophobicContact SD-CG 4.27Å
307Y98.6Very high98.4Very high14 Ų1428.5 Ų28.56%0.05517%0.17CC..SBendtrans-57.1131.3178.5-66.4-60.4000111.5L186 K214 C218 V220 P259 L262 S304 T305 G309 I310L186-Y307 HydrophobicContact CD1-CE2 3.84Å; L186-Y307 WeakPolarHBondContact CD1-OH 3.36Å; K214-Y307 WeakPolarHBondContact CD-OH 3.13Å; K214-Y307 HydrophobicContact CG-CE1 4.32Å; K214-Y307 WeakPolarHBondContact CG-OH 3.37Å; C218-Y307 HydrophobicContact CB-CD1 3.96Å; C218-Y307 HydrophobicContact CB-CE1 3.66Å; V220-Y307 HydrophobicContact CG2-CD2 4.47Å; V220-Y307 HydrophobicContact CG2-CG 4.44Å; P259-Y307 HydrophobicContact CB-CD1 4.34Å; P259-Y307 HydrophobicContact CB-CD2 3.75Å; P259-Y307 HydrophobicContact CB-CE1 4.35Å; P259-Y307 HydrophobicContact CB-CE2 3.74Å; P259-Y307 HydrophobicContact CB-CG 4.06Å; L262-Y307 HydrophobicContact CD1-CD2 4.32Å; L262-Y307 HydrophobicContact CD1-CE2 4.14Å; S304-Y307 WeakPolarHBondContact O-CD2 3.34Å; S304-Y307 WeakPolarHBondContact O-CE2 3.42Å; T305-Y307 VanDerWaalsContact C-N 3.32Å; Y307-G309 PolarHBondContact O-N 3.02Å; Y307-I310 WeakPolarHBondContact O-CG2 3.12Å; Y307-I310 PolarHBondContact O-N 2.85Å
308P98.7Very high98.5Very high85 Ų8527 Ų2755%0.55216%0.162SC*.THydrogen-bonded Turntrans-54.6140.9168.8-24.134.1000110.8V220 I310V220-P308 PolarHBondContact N-O 2.68Å; P308-I310 VanDerWaalsContact C-N 3.29Å; P308-I310 PolarHBondContact O-N 2.9Å
309G98.6Very high98.5Very high28 Ų2829.6 Ų29.629%0.28918%0.18SC..THydrogen-bonded Turntrans81.6-10.317900000116Y307 A311 D312 R313Y307-G309 PolarHBondContact O-N 3.02Å; G309-A311 VanDerWaalsContact C-N 3.31Å; G309-A311 PolarHBondContact O-N 2.91Å; G309-D312 PolarHBondContact O-N 2.92Å; G309-R313 PolarHBondContact O-N 3Å
310I98.8Very high98.4Very high1 Ų133.5 Ų33.51%0.00521%0.212CC..Hα-helixtrans-63.4-37.2-177.2-164176.2000112.7V220 F263 I275 L300 T305 Y307 P308 R313 M314V220-I310 HydrophobicContact CB-CB 4.28Å; V220-I310 HydrophobicContact CG2-CB 3.9Å; V220-I310 HydrophobicContact CG2-CG1 4.08Å; F263-I310 HydrophobicContact CE2-CG1 4.26Å; F263-I310 HydrophobicContact CZ-CG1 4.05Å; I275-I310 HydrophobicContact CD1-CD1 4.04Å; I275-I310 HydrophobicContact CD1-CG1 4.46Å; L300-I310 HydrophobicContact CD1-CG2 4Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.26Å; Y307-I310 WeakPolarHBondContact O-CG2 3.12Å; Y307-I310 PolarHBondContact O-N 2.85Å; P308-I310 VanDerWaalsContact C-N 3.29Å; P308-I310 PolarHBondContact O-N 2.9Å; I310-R313 PolarHBondContact O-N 3.39Å; I310-M314 HydrophobicContact CG1-CG 4.37Å; I310-M314 WeakPolarHBondContact O-CB 3.31Å; I310-M314 VanDerWaalsContact O-CG 3.23Å; I310-M314 WeakPolarHBondContact O-CG 3.36Å; I310-M314 PolarHBondContact O-N 3.37Å
311A98.7Very high98.4Very high25 Ų2536.3 Ų36.321%0.20723%0.227CC..Hα-helixtrans-65.7-42.7179.200000111.4L300 G309 M314 Q315 I330 A332L300-A311 HydrophobicContact CD1-CB 4.16Å; G309-A311 VanDerWaalsContact C-N 3.31Å; G309-A311 PolarHBondContact O-N 2.91Å; A311-M314 PolarHBondContact O-N 3.16Å; A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.22Å; A311-Q315 PolarHBondContact O-N 3.02Å; A311-I330 HydrophobicContact CB-CG2 4.05Å; A311-A332 HydrophobicContact CB-CB 3.93Å
312D98.7Very high98.3Very high104 Ų10436.9 Ų36.956%0.55623%0.231SC*.Hα-helixtrans-67.4-41.5178.2-56.9-55.8000111.4L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.15Å; G309-D312 PolarHBondContact O-N 2.92Å; D312-Q315 WeakPolarHBondContact O-CB 3.5Å; D312-Q315 PolarHBondContact O-N 3.27Å; D312-K316 PolarHBondContact O-N 3.45Å
313R98.8Very high98.1Very high10 Ų1039.3 Ų39.34%0.03825%0.246CC..Hα-helixtrans-63-47.5174.3-175.364.4176.4-71-9.5111.4V220 A221 L222 E260 F263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.48Å; V220-R313 VanDerWaalsContact CG1-CB 3.48Å; V220-R313 HydrophobicContact CG1-CG 3.67Å; A221-R313 WeakPolarHBondContact O-CD 3.47Å; A221-R313 PolarHBondContact O-NH1 2.92Å; L222-R313 WeakPolarHBondContact O-CD 3.35Å; E260-R313 IonicContact OE1-CZ 3.81Å; E260-R313 IonicContact OE1-NH1 3.17Å; E260-R313 PolarHBondContact OE1-NH1 2.92Å; E260-R313 IonicContact OE1-NH2 2.73Å; E260-R313 PolarHBondContact OE1-NH2 3.12Å; E260-R313 IonicContact OE2-CZ 3.09Å; E260-R313 IonicContact OE2-NH1 3.51Å; E260-R313 PolarHBondContact OE2-NH1 3.03Å; E260-R313 IonicContact OE2-NH2 2.79Å; F263-R313 HydrophobicContact CD1-CG 3.9Å; F263-R313 HydrophobicContact CE1-CB 4.18Å; F263-R313 HydrophobicContact CE1-CG 3.38Å; F263-R313 HydrophobicContact CE2-CG 4.12Å; F263-R313 HydrophobicContact CZ-CB 3.94Å; F263-R313 HydrophobicContact CZ-CG 3.5Å; F263-R313 VanDerWaalsContact CZ-CG 3.5Å; G309-R313 PolarHBondContact O-N 3Å; I310-R313 PolarHBondContact O-N 3.39Å; R313-Q315 VanDerWaalsContact C-N 3.29Å; R313-Q315 PolarHBondContact O-N 2.99Å; R313-K316 PolarHBondContact O-N 3.09Å; R313-E317 HydrophobicContact CG-CG 4.26Å; R313-E317 IonicContact CZ-OE1 3.22Å; R313-E317 IonicContact NE-OE1 2.78Å; R313-E317 PolarHBondContact NE-OE1 3.5Å; R313-E317 IonicContact NH2-OE1 3.2Å; R313-E317 PolarHBondContact NH2-OE1 3.2Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 3.48Å
314M98.7Very high97.9Very high0 Ų043.4 Ų43.40%027%0.267CS..Hα-helixtrans-58.2-41.4174.5-75.9-66.3-68.700112L154 F263 I275 H276 I310 A311 I318 I330L154-M314 HydrophobicContact CD2-CE 3.61Å; L154-M314 HydrophobicContact CD2-SD 4.12Å; F263-M314 HydrophobicContact CE1-CG 4.32Å; F263-M314 HydrophobicContact CE1-SD 3.88Å; F263-M314 HydrophobicContact CZ-CG 4.21Å; F263-M314 HydrophobicContact CZ-SD 4.17Å; I275-M314 HydrophobicContact CD1-SD 3.88Å; I275-M314 HydrophobicContact CG1-SD 3.88Å; H276-M314 HydrophobicContact CB-SD 3.85Å; I310-M314 HydrophobicContact CG1-CG 4.37Å; I310-M314 WeakPolarHBondContact O-CB 3.31Å; I310-M314 VanDerWaalsContact O-CG 3.23Å; I310-M314 WeakPolarHBondContact O-CG 3.36Å; I310-M314 PolarHBondContact O-N 3.37Å; A311-M314 PolarHBondContact O-N 3.16Å; M314-I318 HydrophobicContact CE-CD1 3.58Å; M314-I318 HydrophobicContact CE-CG1 4.37Å; M314-I318 VanDerWaalsContact O-CB 3.32Å; M314-I318 WeakPolarHBondContact O-CB 3.2Å; M314-I318 WeakPolarHBondContact O-CG1 3.43Å; M314-I318 PolarHBondContact O-N 2.63Å; M314-I330 HydrophobicContact CB-CD1 4.17Å; M314-I330 HydrophobicContact CB-CG1 4.13Å
315Q98.6Very high97.7Very high62 Ų6249.1 Ų49.129%0.2930%0.302SS..Hα-helixtrans-61.5-46.5176.8-17871.555.700111.1A311 D312 R313 S319 I328 I330A311-Q315 VanDerWaalsContact O-CB 3.31Å; A311-Q315 WeakPolarHBondContact O-CB 3.22Å; A311-Q315 PolarHBondContact O-N 3.02Å; D312-Q315 WeakPolarHBondContact O-CB 3.5Å; D312-Q315 PolarHBondContact O-N 3.27Å; R313-Q315 VanDerWaalsContact C-N 3.29Å; R313-Q315 PolarHBondContact O-N 2.99Å; Q315-S319 PolarHBondContact NE2-OG 2.93Å; Q315-S319 VanDerWaalsContact O-CB 3.23Å; Q315-S319 WeakPolarHBondContact O-CB 3.3Å; Q315-S319 PolarHBondContact O-N 3.38Å; Q315-S319 VanDerWaalsContact O-N 3.14Å; Q315-S319 PolarHBondContact O-OG 3.26Å; Q315-I328 PolarHBondContact NE2-O 2.9Å; Q315-I328 PolarHBondContact OE1-O 2.87Å; Q315-I330 HydrophobicContact CB-CG1 3.79Å
316K98.6Very high97.5Very high77 Ų7751.4 Ų51.434%0.33531%0.314SS..Hα-helixtrans-60.1-54.6176.6175.3-177168.2-175.40111L222 D223 D312 R313 S319 A320L222-K316 HydrophobicContact CD1-CB 4.07Å; L222-K316 HydrophobicContact CD1-CD 3.88Å; L222-K316 HydrophobicContact CG-CD 4.1Å; L222-K316 WeakPolarHBondContact O-CD 3.38Å; L222-K316 PolarHBondContact O-NZ 2.87Å; D223-K316 IonicContact OD2-NZ 3.63Å; D223-K316 PolarHBondContact OD2-NZ 2.81Å; D223-K316 VanDerWaalsContact OD2-NZ 3.12Å; D312-K316 PolarHBondContact O-N 3.45Å; R313-K316 PolarHBondContact O-N 3.09Å; K316-S319 PolarHBondContact O-N 3.18Å; K316-A320 PolarHBondContact O-N 3.35Å; K316-A320 VanDerWaalsContact O-N 3.13Å
317E98.6Very high97.4Very high39 Ų3956.3 Ų56.318%0.18233%0.333CS..Hα-helixtrans-68.1-44.1-172.4-61.8-61.2177.100112.4F263 H276 R313 S319 A320 L321F263-E317 HydrophobicContact CD1-CG 4.38Å; F263-E317 HydrophobicContact CE1-CG 4.47Å; H276-E317 HydrophobicContact CB-CB 3.64Å; H276-E317 HydrophobicContact CB-CG 4.3Å; R313-E317 HydrophobicContact CG-CG 4.26Å; R313-E317 IonicContact CZ-OE1 3.22Å; R313-E317 IonicContact NE-OE1 2.78Å; R313-E317 PolarHBondContact NE-OE1 3.5Å; R313-E317 IonicContact NH2-OE1 3.2Å; R313-E317 PolarHBondContact NH2-OE1 3.2Å; R313-E317 VanDerWaalsContact O-CG 3.31Å; R313-E317 WeakPolarHBondContact O-CG 3.3Å; R313-E317 PolarHBondContact O-N 3.48Å; E317-S319 VanDerWaalsContact C-N 3.3Å; E317-S319 PolarHBondContact O-N 3.11Å; E317-A320 PolarHBondContact O-N 3.21Å; E317-L321 WeakPolarHBondContact O-CG 3.32Å; E317-L321 PolarHBondContact O-N 3Å; E317-L321 VanDerWaalsContact O-N 3.14Å
318I98.4Very high97.4Very high0 Ų056.3 Ų56.30%033%0.334CS..Hα-helixtrans-65.8-36.1177.2-66.8179000110.9T279 Y295 T298 M314 A320 L321 A322 I328 I330T279-I318 HydrophobicContact CG2-CD1 3.84Å; Y295-I318 HydrophobicContact CD1-CG2 3.91Å; Y295-I318 HydrophobicContact CE1-CG2 3.86Å; T298-I318 HydrophobicContact CG2-CD1 4.33Å; M314-I318 HydrophobicContact CE-CD1 3.58Å; M314-I318 HydrophobicContact CE-CG1 4.37Å; M314-I318 VanDerWaalsContact O-CB 3.32Å; M314-I318 WeakPolarHBondContact O-CB 3.2Å; M314-I318 WeakPolarHBondContact O-CG1 3.43Å; M314-I318 PolarHBondContact O-N 2.63Å; I318-A320 VanDerWaalsContact C-N 3.26Å; I318-A320 PolarHBondContact O-N 2.88Å; I318-L321 PolarHBondContact O-N 3.15Å; I318-A322 WeakPolarHBondContact O-CB 3.39Å; I318-A322 PolarHBondContact O-N 2.83Å; I318-I328 HydrophobicContact CB-CG2 4.05Å; I318-I328 HydrophobicContact CG2-CD1 3.96Å; I318-I328 HydrophobicContact CG2-CG1 4.1Å; I318-I328 HydrophobicContact CG2-CG2 3.66Å; I318-I330 HydrophobicContact CD1-CD1 4.1Å
319S97.9Very high97.4Very high55 Ų5556.9 Ų56.939%0.38533%0.328SS..Hα-helixtrans-66-28.8176.4-57.50000112.8Q315 K316 E317Q315-S319 PolarHBondContact NE2-OG 2.93Å; Q315-S319 VanDerWaalsContact O-CB 3.23Å; Q315-S319 WeakPolarHBondContact O-CB 3.3Å; Q315-S319 PolarHBondContact O-N 3.38Å; Q315-S319 VanDerWaalsContact O-N 3.14Å; Q315-S319 PolarHBondContact O-OG 3.26Å; K316-S319 PolarHBondContact O-N 3.18Å; E317-S319 VanDerWaalsContact C-N 3.3Å; E317-S319 PolarHBondContact O-N 3.11Å
320A98Very high97.4Very high81 Ų8156.7 Ų56.767%0.66932%0.32SS*.Hα-helixtrans-76.2-32.7175.800000112.7K316 E317 I318K316-A320 PolarHBondContact O-N 3.35Å; K316-A320 VanDerWaalsContact O-N 3.13Å; E317-A320 PolarHBondContact O-N 3.21Å; I318-A320 VanDerWaalsContact C-N 3.26Å; I318-A320 PolarHBondContact O-N 2.88Å
321L97.9Very high97.3Very high60 Ų6057.6 Ų57.631%0.31433%0.326SS..Hα-helixtrans-84.4-36.1179.6-65.7174.1000113.2E277 Y280 E317 I318E277-L321 HydrophobicContact CG-CD1 3.98Å; Y280-L321 HydrophobicContact CD2-CB 3.67Å; Y280-L321 HydrophobicContact CE2-CB 4Å; Y280-L321 WeakPolarHBondContact CE2-O 3.48Å; Y280-L321 HydrophobicContact CG-CB 3.96Å; Y280-L321 HydrophobicContact CG-CD1 4.15Å; E317-L321 WeakPolarHBondContact O-CG 3.32Å; E317-L321 PolarHBondContact O-N 3Å; E317-L321 VanDerWaalsContact O-N 3.14Å; I318-L321 PolarHBondContact O-N 3.15Å
322A96.4Very high97.3Very high11 Ų1158 Ų589%0.09133%0.329CS..SBendtrans-74.3153.9-176.100000112.2Y295 I318 S324 M326 I328Y295-A322 HydrophobicContact CD1-CB 4.25Å; Y295-A322 HydrophobicContact CE1-CB 3.68Å; Y295-A322 HydrophobicContact CE2-CB 4.25Å; I318-A322 WeakPolarHBondContact O-CB 3.39Å; I318-A322 PolarHBondContact O-N 2.83Å; A322-S324 PolarHBondContact O-N 3.44Å; A322-M326 HydrophobicContact CB-CB 4.44Å; A322-I328 HydrophobicContact CB-CD1 3.68Å; A322-I328 HydrophobicContact CB-CG1 4.32Å
323P94.4Very high97.2Very high60 Ų6053.8 Ų53.839%0.3931%0.307SS..  trans-55138.8170.8-22.832.6000111.3T325 M326P323-T325 PolarHBondContact O-N 3.32Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.27Å; P323-M326 WeakPolarHBondContact O-CB 3.29Å; P323-M326 PolarHBondContact O-N 3.3Å
324S93.7Very high97.1Very high129 Ų12958.2 Ų58.290%0.90234%0.337SS*.THydrogen-bonded Turntrans-60.9-16.4-175.6590000114.9A322 M326A322-S324 PolarHBondContact O-N 3.44Å; S324-M326 VanDerWaalsContact C-N 3.34Å
325T93.4Very high97Very high126 Ų12662.4 Ų62.477%0.77336%0.357SS*.THydrogen-bonded Turntrans-79.4-14.5174.153.90000113.5P323P323-T325 PolarHBondContact O-N 3.32Å
326M95Very high96.9Very high50 Ų5060.7 Ų60.725%0.24635%0.348CS..SBendtrans-83.3130.6-179.3-64.3-63.2175.300110.8K292 Y295 A322 P323 S324 I328K292-M326 HydrophobicContact CB-SD 4.1Å; K292-M326 HydrophobicContact CG-SD 4.48Å; Y295-M326 HydrophobicContact CD2-CB 3.98Å; Y295-M326 HydrophobicContact CD2-CG 3.73Å; Y295-M326 HydrophobicContact CD2-SD 4Å; Y295-M326 HydrophobicContact CE2-CB 4.49Å; Y295-M326 HydrophobicContact CE2-CG 4Å; Y295-M326 HydrophobicContact CG-CB 4.38Å; A322-M326 HydrophobicContact CB-CB 4.44Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.27Å; P323-M326 WeakPolarHBondContact O-CB 3.29Å; P323-M326 PolarHBondContact O-N 3.3Å; S324-M326 VanDerWaalsContact C-N 3.34Å; M326-I328 HydrophobicContact CB-CD1 4.04Å; M326-I328 PolarHBondContact O-N 2.89Å
327K95.9Very high96.8Very high165 Ų16561.2 Ų61.272%0.71735%0.35SS*.  trans-86.4110.9170.5-177.6178.1178.8177.10109.2
328I98Very high96.8Very high15 Ų1562.1 Ų62.18%0.07735%0.352CS..  trans-86132.5177.2-50-47000109.5Y295 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.36Å; Y295-I328 HydrophobicContact CD2-CD1 4.44Å; Y295-I328 HydrophobicContact CE1-CD1 4.1Å; Y295-I328 HydrophobicContact CG-CD1 3.58Å; Y295-I328 WeakPolarHBondContact O-CA 3.35Å; Q315-I328 PolarHBondContact NE2-O 2.9Å; Q315-I328 PolarHBondContact OE1-O 2.87Å; I318-I328 HydrophobicContact CB-CG2 4.05Å; I318-I328 HydrophobicContact CG2-CD1 3.96Å; I318-I328 HydrophobicContact CG2-CG1 4.1Å; I318-I328 HydrophobicContact CG2-CG2 3.66Å; A322-I328 HydrophobicContact CB-CD1 3.68Å; A322-I328 HydrophobicContact CB-CG1 4.32Å; M326-I328 HydrophobicContact CB-CD1 4.04Å; M326-I328 PolarHBondContact O-N 2.89Å; I328-I330 HydrophobicContact CG2-CD1 4.18Å
329K98.2Very high96.8Very high97 Ų9762.2 Ų62.242%0.42235%0.353SS..  trans-139.2116.9172.5176.1-177.4178.8-178.20110Y295 S296 T298 V331Y295-K329 PolarHBondContact O-N 3.3Å; S296-K329 WeakPolarHBondContact O-CB 3.38Å; T298-K329 PolarHBondContact N-O 3.02Å; K329-V331 HydrophobicContact CD-CG2 4.49Å; K329-V331 HydrophobicContact CG-CG2 4.32Å
330I98.5Very high96.8Very high24 Ų2460 Ų6012%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-88.2130.1170.8-49.5-52.1000109.6T298 L300 A311 M314 Q315 I318 I328T298-I330 HydrophobicContact CG2-CD1 3.78Å; T298-I330 CarbonylContact O-C 3.57Å; T298-I330 WeakPolarHBondContact O-CA 3.36Å; L300-I330 HydrophobicContact CD1-CG2 3.8Å; L300-I330 HydrophobicContact CD2-CG2 4.11Å; L300-I330 HydrophobicContact CG-CG2 3.73Å; A311-I330 HydrophobicContact CB-CG2 4.05Å; M314-I330 HydrophobicContact CB-CD1 4.17Å; M314-I330 HydrophobicContact CB-CG1 4.13Å; Q315-I330 HydrophobicContact CB-CG1 3.79Å; I318-I330 HydrophobicContact CD1-CD1 4.1Å; I328-I330 HydrophobicContact CG2-CD1 4.18Å
331V98.2Very high96.8Very high20 Ų2056.1 Ų56.112%0.12131%0.305CS..EExtended strand (participates in β ladder)trans-112.1112.1176.9-177.30000107.6T298 V299 L300 K329 P333T298-V331 PolarHBondContact O-N 3.32Å; V299-V331 WeakPolarHBondContact CA-O 3.48Å; V299-V331 HydrophobicContact CG2-CB 4.11Å; V299-V331 HydrophobicContact CG2-CG1 4.49Å; L300-V331 PolarHBondContact N-O 3.12Å; K329-V331 HydrophobicContact CD-CG2 4.49Å; K329-V331 HydrophobicContact CG-CG2 4.32Å; V331-P333 HydrophobicContact CG1-CG 4.33Å
332A98Very high96.8Very high33 Ų3354.6 Ų54.627%0.27330%0.297SS..  trans-124.681.7-178.800000110L300 A311L300-A332 HydrophobicContact CB-CB 4.37Å; L300-A332 HydrophobicContact CD1-CB 3.99Å; L300-A332 HydrophobicContact CG-CB 4.34Å; A311-A332 HydrophobicContact CB-CB 3.93Å
333P96.9Very high96.9Very high16 Ų1654.1 Ų54.110%0.10429%0.292CS..  trans-55.8141.1178.1-22.633.5000111.2V331 E335 R336V331-P333 HydrophobicContact CG1-CG 4.33Å; P333-E335 WeakPolarHBondContact CB-OE1 3.41Å; P333-E335 PolarHBondContact O-N 2.8Å; P333-R336 HydrophobicContact CB-CB 4.27Å; P333-R336 WeakPolarHBondContact O-CB 3.29Å; P333-R336 VanDerWaalsContact O-CD 3.32Å; P333-R336 WeakPolarHBondContact O-CD 3.33Å; P333-R336 WeakPolarHBondContact O-CG 3.43Å; P333-R336 PolarHBondContact O-N 3.39Å; P333-R336 VanDerWaalsContact O-N 3.11Å; P333-R336 PolarHBondContact O-NH1 3.45Å
334P96.7Very high97Very high103 Ų10351.2 Ų51.267%0.66927%0.274SS*.THydrogen-bonded Turntrans-56.9-35.9178.4-26.334.6000113.5M306 R336M306-P334 WeakPolarHBondContact CE-O 3.44Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.17Å
335E95.8Very high97.2Very high87 Ų8745.3 Ų45.341%0.40723%0.232SC..THydrogen-bonded Turntrans-87.911.4-179.865.7-72.1163.700113.6P333 K337 Y338 I342P333-E335 WeakPolarHBondContact CB-OE1 3.41Å; P333-E335 PolarHBondContact O-N 2.8Å; E335-K337 PolarHBondContact O-N 3.4Å; E335-Y338 WeakPolarHBondContact O-CA 3.46Å; E335-Y338 PolarHBondContact O-N 3.06Å; E335-I342 HydrophobicContact CB-CD1 4.24Å; E335-I342 HydrophobicContact CG-CD1 3.65Å
336R97.3Very high97.3Very high27 Ų2742.6 Ų42.610%0.10221%0.212CC..G310 helixtrans-59.2-16.2-171.968.2-170.5172.7-77.91.4116.8L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.34Å; G302-R336 PolarHBondContact N-O 2.83Å; G302-R336 VanDerWaalsContact N-O 3.14Å; T305-R336 VanDerWaalsContact O-CZ 3.26Å; T305-R336 PolarHBondContact O-NE 3.07Å; T305-R336 PolarHBondContact O-NH2 3.46Å; M306-R336 HydrophobicContact SD-CG 3.44Å; M306-R336 WeakPolarHBondContact SD-CG 3.38Å; P333-R336 HydrophobicContact CB-CB 4.27Å; P333-R336 WeakPolarHBondContact O-CB 3.29Å; P333-R336 VanDerWaalsContact O-CD 3.32Å; P333-R336 WeakPolarHBondContact O-CD 3.33Å; P333-R336 WeakPolarHBondContact O-CG 3.43Å; P333-R336 PolarHBondContact O-N 3.39Å; P333-R336 VanDerWaalsContact O-N 3.11Å; P333-R336 PolarHBondContact O-NH1 3.45Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.17Å; R336-Y338 PolarHBondContact O-N 3.48Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.39Å; R336-S339 PolarHBondContact O-N 3.5Å
337K96.8Very high97.3Very high87 Ų8741.2 Ų41.238%0.37821%0.206SC..G310 helixtrans-61.1-19.8166.557.3167.4170.6164.80113.4K19 M306 E335K19-K337 WeakPolarHBondContact CE-O 3.45Å; M306-K337 HydrophobicContact CE-CG 4.34Å; M306-K337 HydrophobicContact CG-CB 4Å; M306-K337 HydrophobicContact SD-CB 3.92Å; M306-K337 HydrophobicContact SD-CG 4.27Å; E335-K337 PolarHBondContact O-N 3.4Å
338Y97.6Very high97.3Very high59 Ų5933.5 Ų33.523%0.23117%0.173CC..G310 helixtrans-116.62.7-179.1-53.5-42.5000113K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.77Å; K19-Y338 HydrophobicContact CD-CE1 4.31Å; P28-Y338 HydrophobicContact CG-CD1 4.18Å; P28-Y338 HydrophobicContact CG-CE1 4.43Å; P28-Y338 HydrophobicContact CG-CG 4.38Å; V31-Y338 HydrophobicContact CG2-CE1 4.09Å; E335-Y338 WeakPolarHBondContact O-CA 3.46Å; E335-Y338 PolarHBondContact O-N 3.06Å; R336-Y338 PolarHBondContact O-N 3.48Å; Y338-V340 VanDerWaalsContact C-N 3.26Å; Y338-V340 PolarHBondContact O-N 3.38Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; Y338-W341 PolarHBondContact O-N 3.43Å; Y338-I342 WeakPolarHBondContact O-CG1 3.36Å; Y338-I342 PolarHBondContact O-N 3.05Å
339S98Very high97Very high2 Ų235.9 Ų35.91%0.01419%0.191CC..Hα-helixtrans-52.7-41-175.4-81.20000113.6A145 R336 W341 I342 G343A145-S339 VanDerWaalsContact CB-O 3.24Å; A145-S339 WeakPolarHBondContact CB-O 3.44Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.39Å; R336-S339 PolarHBondContact O-N 3.5Å; S339-W341 PolarHBondContact O-N 3.23Å; S339-I342 PolarHBondContact O-N 3.44Å; S339-G343 PolarHBondContact O-N 3.21Å
340V98.3Very high96.7Very high8 Ų834.9 Ų34.95%0.04819%0.19CC..Hα-helixtrans-57.9-51.5177.1177.50000111D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.28Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.22Å; T107-V340 HydrophobicContact CG2-CG1 3.69Å; Q138-V340 HydrophobicContact CB-CG1 3.93Å; Q138-V340 HydrophobicContact CB-CG2 3.91Å; Q138-V340 HydrophobicContact CG-CG1 3.82Å; Q138-V340 HydrophobicContact CG-CG2 4.42Å; L141-V340 HydrophobicContact CB-CG1 4.49Å; L141-V340 WeakPolarHBondContact CB-O 3.23Å; L141-V340 HydrophobicContact CD1-CG1 4.18Å; S142-V340 WeakPolarHBondContact OG-CG2 3.47Å; S142-V340 PolarHBondContact OG-N 2.92Å; Y338-V340 VanDerWaalsContact C-N 3.26Å; Y338-V340 PolarHBondContact O-N 3.38Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; V340-G343 PolarHBondContact O-N 3.13Å; V340-G344 PolarHBondContact O-N 3.45Å
341W98.5Very high96.3Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-66.7-42.5-178.2-176.391.6000111.2V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 2.88Å; D12-W341 HydrophobicContact CB-CB 4.27Å; K19-W341 HydrophobicContact CB-CB 4.45Å; K19-W341 HydrophobicContact CB-CG 4.43Å; D25-W341 HydrophobicContact CB-CH2 3.88Å; D25-W341 WeakPolarHBondContact O-CH2 3.32Å; D25-W341 WeakPolarHBondContact O-CZ3 3.48Å; A27-W341 VanDerWaalsContact C-CH2 3.43Å; A27-W341 VanDerWaalsContact O-CH2 3.26Å; A27-W341 WeakPolarHBondContact O-CH2 3.47Å; A27-W341 WeakPolarHBondContact O-CZ3 3.31Å; P28-W341 HydrophobicContact CB-CD2 3.74Å; P28-W341 HydrophobicContact CB-CE3 4.2Å; P28-W341 HydrophobicContact CB-CG 3.99Å; P28-W341 HydrophobicContact CB-CZ2 4.47Å; P28-W341 HydrophobicContact CG-CD2 4.31Å; P28-W341 HydrophobicContact CG-CE3 4.41Å; Y338-W341 PolarHBondContact O-N 3.43Å; S339-W341 PolarHBondContact O-N 3.23Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.47Å; W341-G344 PolarHBondContact O-N 3.31Å; W341-G344 VanDerWaalsContact O-N 3.16Å; W341-S345 PolarHBondContact O-N 3.42Å
342I98.1Very high95.8Very high28 Ų2842.8 Ų42.814%0.14424%0.244CC..Hα-helixtrans-60-43.8176.2-66.6168.1000110.3A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.14Å; A145-I342 HydrophobicContact CB-CG2 3.93Å; E335-I342 HydrophobicContact CB-CD1 4.24Å; E335-I342 HydrophobicContact CG-CD1 3.65Å; Y338-I342 WeakPolarHBondContact O-CG1 3.36Å; Y338-I342 PolarHBondContact O-N 3.05Å; S339-I342 PolarHBondContact O-N 3.44Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.76Å; I342-S345 WeakPolarHBondContact O-CB 3.44Å; I342-S345 PolarHBondContact O-N 3.33Å; I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 3.08Å
343G97.5Very high95.4Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-62.6-39.4176.500000112.8L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.27Å; L141-G343 WeakPolarHBondContact O-CA 3.48Å; S339-G343 PolarHBondContact O-N 3.21Å; V340-G343 PolarHBondContact O-N 3.13Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.47Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.42Å; G343-L347 PolarHBondContact O-N 2.89Å
344G97.6Very high95Very high0 Ų045.8 Ų45.80%025%0.25CS..Hα-helixtrans-65.1-41.4172.500000112.5V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 3.45Å; W341-G344 PolarHBondContact O-N 3.31Å; W341-G344 VanDerWaalsContact O-N 3.16Å; I342-G344 VanDerWaalsContact C-N 3.33Å; I342-G344 PolarHBondContact O-N 2.76Å; G344-L347 PolarHBondContact O-N 3.22Å; G344-A348 VanDerWaalsContact O-CB 3.25Å; G344-A348 WeakPolarHBondContact O-CB 3.48Å; G344-A348 PolarHBondContact O-N 2.91Å
345S97.5Very high94.6Very high4 Ų448.9 Ų48.93%0.02826%0.256CS..Hα-helixtrans-60.7-47.5176.3179.90000111.1G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-OG 2.88Å; D25-S345 PolarHBondContact N-OG 3.33Å; D25-S345 PolarHBondContact O-OG 2.98Å; W341-S345 PolarHBondContact O-N 3.42Å; I342-S345 WeakPolarHBondContact O-CB 3.44Å; I342-S345 PolarHBondContact O-N 3.33Å; S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.43Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.92Å
346I95.2Very high94.5Very high69 Ų6948.2 Ų48.235%0.35425%0.254SS..Hα-helixtrans-60.7-54.8175.1-66.9166.1000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.94Å; I342-I346 WeakPolarHBondContact O-CG1 3.48Å; I342-I346 PolarHBondContact O-N 3.08Å; I346-A348 PolarHBondContact O-N 3.4Å; I346-S349 PolarHBondContact O-N 2.78Å; I346-S349 VanDerWaalsContact O-N 3.08Å; I346-S349 PolarHBondContact O-OG 2.93Å; I346-L350 WeakPolarHBondContact O-CG 3.12Å; I346-L350 PolarHBondContact O-N 2.87Å
347L94.8Very high94.5Very high22 Ų2247.7 Ų47.712%0.11525%0.252CS..Hα-helixtrans-57.8-48.4-175.4-178.263.2000112L105 L141 Y144 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.22Å; L141-L347 HydrophobicContact CD2-CB 4.3Å; L141-L347 HydrophobicContact CD2-CD2 3.61Å; Y144-L347 HydrophobicContact CD2-CD1 4.47Å; Y144-L347 HydrophobicContact CE2-CD1 4.14Å; Y144-L347 HydrophobicContact CE2-CD2 4.4Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.42Å; G343-L347 PolarHBondContact O-N 2.89Å; G344-L347 PolarHBondContact O-N 3.22Å; L347-S349 PolarHBondContact O-N 2.78Å; L347-L350 HydrophobicContact CD1-CD1 4.4Å; L347-L350 WeakPolarHBondContact O-CB 3.32Å; L347-L350 PolarHBondContact O-N 3.28Å; L347-F353 HydrophobicContact CD1-CD2 3.55Å; L347-F353 HydrophobicContact CD1-CE2 3.94Å; L347-F353 HydrophobicContact CD1-CG 4.19Å; L347-F353 HydrophobicContact CD2-CD2 4.2Å; L347-F353 HydrophobicContact CD2-CE2 3.7Å; L347-F353 HydrophobicContact CD2-CZ 4.11Å; L347-F353 HydrophobicContact CG-CD2 3.64Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.12Å; L347-F353 HydrophobicContact CG-CZ 4.09Å; L347-F353 WeakPolarHBondContact O-CB 3.37Å; L347-F353 WeakPolarHBondContact O-CG 3.2Å
348A95.5Very high94.6Very high3 Ų343.5 Ų43.53%0.02523%0.234CC..Hα-helixtrans-68.2-20.4-179.900000113.5A8 V10 A23 L105 G344 I346 W357A8-A348 HydrophobicContact CB-CB 4.17Å; V10-A348 HydrophobicContact CG2-CB 4.26Å; A23-A348 HydrophobicContact CB-CB 3.63Å; L105-A348 HydrophobicContact CD1-CB 4.2Å; G344-A348 VanDerWaalsContact O-CB 3.25Å; G344-A348 WeakPolarHBondContact O-CB 3.48Å; G344-A348 PolarHBondContact O-N 2.91Å; I346-A348 PolarHBondContact O-N 3.4Å; A348-W357 HydrophobicContact CB-CH2 4.3Å; A348-W357 HydrophobicContact CB-CZ2 4.06Å
349S92.8Very high94.6Very high64 Ų6442.5 Ų42.545%0.44824%0.235SC..Hα-helixtrans-85.1-10.8175.774.80000114.1S345 I346 L347S345-S349 WeakPolarHBondContact O-CB 3.38Å; S345-S349 PolarHBondContact O-N 3.43Å; S345-S349 VanDerWaalsContact O-N 3.14Å; S345-S349 PolarHBondContact O-OG 2.92Å; I346-S349 PolarHBondContact O-N 2.78Å; I346-S349 VanDerWaalsContact O-N 3.08Å; I346-S349 PolarHBondContact O-OG 2.93Å; L347-S349 PolarHBondContact O-N 2.78Å
350L91.4Very high94.6Very high76 Ų7645.1 Ų45.140%0.39825%0.246SC..  trans-74129.2179-62.7178.4000111I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.12Å; I346-L350 PolarHBondContact O-N 2.87Å; L347-L350 HydrophobicContact CD1-CD1 4.4Å; L347-L350 WeakPolarHBondContact O-CB 3.32Å; L347-L350 PolarHBondContact O-N 3.28Å; L350-T352 PolarHBondContact O-N 3.04Å; L350-F353 HydrophobicContact CB-CB 4.09Å; L350-F353 VanDerWaalsContact O-CB 3.31Å; L350-F353 WeakPolarHBondContact O-CB 3.33Å; L350-F353 PolarHBondContact O-N 3.31Å
351S89.4Confident94.5Very high101 Ų10150.9 Ų50.971%0.70627%0.273SS*.G310 helixtrans-60.7-32.3175.557.50000113F353 Q354S351-F353 PolarHBondContact O-N 2.86Å; S351-Q354 WeakPolarHBondContact O-CB 3.42Å; S351-Q354 WeakPolarHBondContact O-CG 3.29Å; S351-Q354 PolarHBondContact O-N 2.81Å
352T88Confident94.5Very high110 Ų11053.2 Ų53.268%0.67528%0.284SS*.G310 helixtrans-68.5-22.1175.2510000113.2L350 Q354L350-T352 PolarHBondContact O-N 3.04Å; T352-Q354 VanDerWaalsContact C-N 3.3Å
353F90.3Very high94.5Very high9 Ų952.3 Ų52.34%0.03928%0.278CS..G310 helixtrans-77.6-16.5177.9-173.4-104.6000112.6L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.21Å; L105-F353 HydrophobicContact CD1-CZ 4.06Å; Y134-F353 HydrophobicContact CD1-CE2 4.14Å; Y134-F353 AromaticContact CD1-CZ 3.6Å; Y134-F353 HydrophobicContact CD1-CZ 3.6Å; Y134-F353 HydrophobicContact CD2-CE2 4.32Å; Y134-F353 AromaticContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CE1-CE2 4.08Å; Y134-F353 HydrophobicContact CE1-CZ 4.03Å; Y134-F353 HydrophobicContact CE2-CE2 4.27Å; Y134-F353 HydrophobicContact CE2-CZ 4.31Å; Y134-F353 HydrophobicContact CG-CE1 4.45Å; Y134-F353 HydrophobicContact CG-CE2 4.26Å; Y134-F353 AromaticContact CG-CZ 3.54Å; Y134-F353 HydrophobicContact CG-CZ 3.54Å; L347-F353 HydrophobicContact CD1-CD2 3.55Å; L347-F353 HydrophobicContact CD1-CE2 3.94Å; L347-F353 HydrophobicContact CD1-CG 4.19Å; L347-F353 HydrophobicContact CD2-CD2 4.2Å; L347-F353 HydrophobicContact CD2-CE2 3.7Å; L347-F353 HydrophobicContact CD2-CZ 4.11Å; L347-F353 HydrophobicContact CG-CD2 3.64Å; L347-F353 HydrophobicContact CG-CE2 3.63Å; L347-F353 HydrophobicContact CG-CG 4.12Å; L347-F353 HydrophobicContact CG-CZ 4.09Å; L347-F353 WeakPolarHBondContact O-CB 3.37Å; L347-F353 WeakPolarHBondContact O-CG 3.2Å; L350-F353 HydrophobicContact CB-CB 4.09Å; L350-F353 VanDerWaalsContact O-CB 3.31Å; L350-F353 WeakPolarHBondContact O-CB 3.33Å; L350-F353 PolarHBondContact O-N 3.31Å; S351-F353 PolarHBondContact O-N 2.86Å; F353-Q355 PolarHBondContact O-N 3.44Å; F353-M356 HydrophobicContact CD2-CB 3.78Å; F353-M356 HydrophobicContact CD2-CG 3.92Å; F353-M356 HydrophobicContact CE2-CB 3.75Å; F353-M356 HydrophobicContact CE2-CG 4.26Å; F353-M356 HydrophobicContact CG-CB 4.37Å; F353-M356 HydrophobicContact CZ-CB 4.32Å; F353-M356 VanDerWaalsContact O-CB 3.29Å; F353-M356 WeakPolarHBondContact O-CB 3.48Å; F353-M356 PolarHBondContact O-N 2.81Å; F353-W357 HydrophobicContact CD1-CD2 4.49Å; F353-W357 AromaticContact CD1-CE2 3.87Å; F353-W357 HydrophobicContact CD1-CZ2 4.04Å; F353-W357 AromaticContact CD1-NE1 3.93Å; F353-W357 AromaticContact CE1-CD2 3.96Å; F353-W357 HydrophobicContact CE1-CD2 3.96Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.28Å; F353-W357 AromaticContact CE1-CH2 4Å; F353-W357 HydrophobicContact CE1-CH2 4Å; F353-W357 AromaticContact CE1-CZ2 3.64Å; F353-W357 HydrophobicContact CE1-CZ2 3.64Å; F353-W357 HydrophobicContact CE1-CZ3 4.29Å
354Q87.1Confident94.5Very high102 Ų10257.3 Ų57.348%0.47731%0.305SS..G310 helixtrans-58.4-26.8-176.8-64.2-60-2500113.8S351 T352 M356S351-Q354 WeakPolarHBondContact O-CB 3.42Å; S351-Q354 WeakPolarHBondContact O-CG 3.29Å; S351-Q354 PolarHBondContact O-N 2.81Å; T352-Q354 VanDerWaalsContact C-N 3.3Å; Q354-M356 VanDerWaalsContact C-N 3.34Å
355Q90Very high94.5Very high169 Ų16963.9 Ų63.979%0.7934%0.336SS*.G310 helixtrans-82.4-11177.4-60-176.75.600113.9F353F353-Q355 PolarHBondContact O-N 3.44Å
356M93.6Very high94.5Very high72 Ų7266.3 Ų66.336%0.35535%0.353SS..THydrogen-bonded Turntrans-87.6-22.2-177.1-62.2-60.2-62.100112.8Y134 F353 Q354Y134-M356 HydrophobicContact CD2-CB 4.41Å; Y134-M356 WeakPolarHBondContact CD2-O 3.22Å; Y134-M356 HydrophobicContact CE2-CB 4.12Å; Y134-M356 HydrophobicContact CE2-CE 4.39Å; F353-M356 HydrophobicContact CD2-CB 3.78Å; F353-M356 HydrophobicContact CD2-CG 3.92Å; F353-M356 HydrophobicContact CE2-CB 3.75Å; F353-M356 HydrophobicContact CE2-CG 4.26Å; F353-M356 HydrophobicContact CG-CB 4.37Å; F353-M356 HydrophobicContact CZ-CB 4.32Å; F353-M356 VanDerWaalsContact O-CB 3.29Å; F353-M356 WeakPolarHBondContact O-CB 3.48Å; F353-M356 PolarHBondContact O-N 2.81Å; Q354-M356 VanDerWaalsContact C-N 3.34Å
357W96.6Very high94.6Very high16 Ų1664 Ų646%0.06135%0.347CS..SBendtrans-53.2141.8175.5-69119.6000111.4A8 P103 L105 A132 A348 F353A8-W357 HydrophobicContact CB-CH2 3.88Å; A8-W357 HydrophobicContact CB-CZ2 3.66Å; P103-W357 HydrophobicContact CB-CD2 4.4Å; P103-W357 HydrophobicContact CB-CE3 4.43Å; P103-W357 HydrophobicContact CB-CH2 4.1Å; P103-W357 HydrophobicContact CB-CZ2 4.06Å; P103-W357 HydrophobicContact CB-CZ3 4.3Å; L105-W357 HydrophobicContact CB-CH2 3.84Å; L105-W357 HydrophobicContact CB-CZ3 4.13Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.44Å; A348-W357 HydrophobicContact CB-CH2 4.3Å; A348-W357 HydrophobicContact CB-CZ2 4.06Å; F353-W357 HydrophobicContact CD1-CD2 4.49Å; F353-W357 AromaticContact CD1-CE2 3.87Å; F353-W357 HydrophobicContact CD1-CZ2 4.04Å; F353-W357 AromaticContact CD1-NE1 3.93Å; F353-W357 AromaticContact CE1-CD2 3.96Å; F353-W357 HydrophobicContact CE1-CD2 3.96Å; F353-W357 AromaticContact CE1-CE2 3.62Å; F353-W357 HydrophobicContact CE1-CE3 4.28Å; F353-W357 AromaticContact CE1-CH2 4Å; F353-W357 HydrophobicContact CE1-CH2 4Å; F353-W357 AromaticContact CE1-CZ2 3.64Å; F353-W357 HydrophobicContact CE1-CZ2 3.64Å; F353-W357 HydrophobicContact CE1-CZ3 4.29Å
358I98.1Very high94.7Very high0 Ų064.8 Ų64.80%035%0.353CS..EExtended strand (participates in β ladder)trans-86.1116.6163.7-58.8163.5000105.3F125 A132 M133 E362 I370 V371 K374F125-I358 HydrophobicContact CE2-CG2 3.87Å; F125-I358 HydrophobicContact CZ-CB 4.36Å; F125-I358 HydrophobicContact CZ-CG2 3.89Å; F125-I358 WeakPolarHBondContact CZ-O 3.39Å; A132-I358 CarbonylContact C-O 3.6Å; A132-I358 WeakPolarHBondContact CA-O 3.21Å; A132-I358 WeakPolarHBondContact CB-O 3.49Å; M133-I358 PolarHBondContact N-O 2.85Å; M133-I358 WeakPolarHBondContact O-CB 3.44Å; M133-I358 PolarHBondContact O-N 2.59Å; I358-E362 HydrophobicContact CG2-CB 4.43Å; I358-I370 HydrophobicContact CD1-CG2 4.34Å; I358-I370 HydrophobicContact CG2-CG1 4.02Å; I358-I370 HydrophobicContact CG2-CG2 3.62Å; I358-V371 HydrophobicContact CD1-CB 4.28Å; I358-V371 HydrophobicContact CD1-CG2 4.37Å; I358-K374 HydrophobicContact CD1-CB 4.13Å; I358-K374 HydrophobicContact CG1-CB 3.73Å; I358-K374 HydrophobicContact CG1-CG 4.07Å
359S97.7Very high94.8Very high38 Ų3866 Ų6627%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-80.2157.7174.761.70000111.7Q361 E362 Y363S359-Q361 PolarHBondContact O-N 3.39Å; S359-E362 PolarHBondContact N-OE2 2.92Å; S359-E362 PolarHBondContact O-N 3.19Å; S359-E362 VanDerWaalsContact O-N 3.14Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.47Å; S359-E362 PolarHBondContact OG-N 2.91Å; S359-E362 PolarHBondContact OG-OE2 3.34Å; S359-Y363 PolarHBondContact O-N 3.21Å
360K97.7Very high95Very high57 Ų5763.4 Ų63.425%0.24835%0.347CS..Hα-helixtrans-54.1-38.3171.9-179.166.1-175.2174.90112.1F125 P131 Y363 D364F125-K360 HydrophobicContact CB-CD 4.18Å; F125-K360 HydrophobicContact CD1-CB 4.18Å; F125-K360 HydrophobicContact CD1-CD 3.51Å; F125-K360 HydrophobicContact CD1-CG 4.46Å; F125-K360 HydrophobicContact CE1-CB 4.03Å; F125-K360 HydrophobicContact CE1-CD 4.21Å; F125-K360 HydrophobicContact CG-CD 4.16Å; F125-K360 PolarHBondContact O-NZ 3.03Å; P131-K360 PolarHBondContact O-N 3.28Å; K360-Y363 WeakPolarHBondContact O-CB 3.39Å; K360-Y363 PolarHBondContact O-N 3.13Å; K360-D364 VanDerWaalsContact CE-OD1 3.28Å; K360-D364 WeakPolarHBondContact CE-OD1 3.42Å; K360-D364 IonicContact NZ-OD1 3.07Å; K360-D364 PolarHBondContact NZ-OD1 2.74Å; K360-D364 VanDerWaalsContact O-CG 3.23Å; K360-D364 PolarHBondContact O-N 3.4Å
361Q97.6Very high95.3Very high129 Ų12959.8 Ų59.860%0.60333%0.328SS*.Hα-helixtrans-62.2-49.1175.8-176.4-175.7-1000112.2S359 Y363 D364 E365S359-Q361 PolarHBondContact O-N 3.39Å; Q361-Y363 PolarHBondContact O-N 3.26Å; Q361-D364 PolarHBondContact O-N 2.95Å; Q361-E365 WeakPolarHBondContact CG-OE1 3.28Å; Q361-E365 PolarHBondContact NE2-OE1 3.48Å; Q361-E365 WeakPolarHBondContact O-CG 3.44Å; Q361-E365 PolarHBondContact O-N 3.03Å
362E97.8Very high95.7Very high49 Ų4957 Ų5723%0.22930%0.304CS..Hα-helixtrans-61.3-35.9177.9-74.2168.1123.800111.8I358 S359 S366 I370 K374I358-E362 HydrophobicContact CG2-CB 4.43Å; S359-E362 PolarHBondContact N-OE2 2.92Å; S359-E362 PolarHBondContact O-N 3.19Å; S359-E362 VanDerWaalsContact O-N 3.14Å; S359-E362 VanDerWaalsContact OG-CG 3.31Å; S359-E362 WeakPolarHBondContact OG-CG 3.47Å; S359-E362 PolarHBondContact OG-N 2.91Å; S359-E362 PolarHBondContact OG-OE2 3.34Å; E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 2.85Å; E362-I370 HydrophobicContact CB-CG1 4.44Å; E362-K374 WeakPolarHBondContact OE1-CE 3.46Å; E362-K374 IonicContact OE1-NZ 3.26Å; E362-K374 PolarHBondContact OE1-NZ 2.96Å; E362-K374 IonicContact OE2-NZ 2.72Å
363Y98.2Very high95.9Very high8 Ų859.9 Ų59.93%0.03130%0.302CS..Hα-helixtrans-63.8-49172.7173.9-96.3000112.2T121 F125 E126 S359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.8Å; T121-Y363 HydrophobicContact CG2-CE2 3.98Å; F125-Y363 HydrophobicContact CB-CD1 3.64Å; F125-Y363 HydrophobicContact CB-CD2 4.29Å; F125-Y363 HydrophobicContact CB-CE1 3.74Å; F125-Y363 HydrophobicContact CB-CE2 4.35Å; F125-Y363 HydrophobicContact CB-CG 3.94Å; F125-Y363 AromaticContact CD2-CD1 3.97Å; F125-Y363 HydrophobicContact CD2-CD1 3.97Å; F125-Y363 AromaticContact CD2-CD2 3.34Å; F125-Y363 HydrophobicContact CD2-CD2 3.34Å; F125-Y363 AromaticContact CD2-CE2 3.97Å; F125-Y363 HydrophobicContact CD2-CE2 3.97Å; F125-Y363 AromaticContact CD2-CG 3.32Å; F125-Y363 HydrophobicContact CD2-CG 3.32Å; F125-Y363 AromaticContact CE2-CD2 3.89Å; F125-Y363 HydrophobicContact CE2-CD2 3.89Å; F125-Y363 AromaticContact CE2-CG 3.83Å; F125-Y363 HydrophobicContact CE2-CG 3.83Å; F125-Y363 AromaticContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD1 3.87Å; F125-Y363 HydrophobicContact CG-CD2 4.09Å; F125-Y363 HydrophobicContact CG-CE1 4.42Å; F125-Y363 AromaticContact CG-CG 3.69Å; F125-Y363 HydrophobicContact CG-CG 3.69Å; E126-Y363 VanDerWaalsContact CD-OH 3.29Å; E126-Y363 HydrophobicContact CG-CE1 4.05Å; E126-Y363 WeakPolarHBondContact CG-OH 3.31Å; E126-Y363 PolarHBondContact OE1-OH 3.2Å; S359-Y363 PolarHBondContact O-N 3.21Å; K360-Y363 WeakPolarHBondContact O-CB 3.39Å; K360-Y363 PolarHBondContact O-N 3.13Å; Q361-Y363 PolarHBondContact O-N 3.26Å; Y363-E365 PolarHBondContact O-N 3.14Å; Y363-S366 PolarHBondContact O-N 3.33Å; Y363-G367 WeakPolarHBondContact O-CA 3.42Å; Y363-G367 PolarHBondContact O-N 2.95Å; Y363-P368 HydrophobicContact CE2-CB 4.3Å; Y363-P368 HydrophobicContact CE2-CG 3.89Å
364D98.1Very high96.1Very high105 Ų10561.9 Ų61.956%0.56131%0.311SS*.Hα-helixtrans-63.4-30.2-178.7-66.9-22.6000111.6K360 Q361K360-D364 VanDerWaalsContact CE-OD1 3.28Å; K360-D364 WeakPolarHBondContact CE-OD1 3.42Å; K360-D364 IonicContact NZ-OD1 3.07Å; K360-D364 PolarHBondContact NZ-OD1 2.74Å; K360-D364 VanDerWaalsContact O-CG 3.23Å; K360-D364 PolarHBondContact O-N 3.4Å; Q361-D364 PolarHBondContact O-N 2.95Å
365E97.7Very high96.4Very high138 Ų13857.1 Ų57.165%0.64529%0.288SS*.Hα-helixtrans-79.7-39.1177-70.7176-167.200113.9Q361 Y363Q361-E365 WeakPolarHBondContact CG-OE1 3.28Å; Q361-E365 PolarHBondContact NE2-OE1 3.48Å; Q361-E365 WeakPolarHBondContact O-CG 3.44Å; Q361-E365 PolarHBondContact O-N 3.03Å; Y363-E365 PolarHBondContact O-N 3.14Å
366S97.1Very high96Very high55 Ų5557.1 Ų57.139%0.38529%0.286SS..Hα-helixtrans-109.8-11.1-171.1-67.40000114.8E362 Y363E362-S366 WeakPolarHBondContact O-CB 3.34Å; E362-S366 PolarHBondContact O-N 2.85Å; Y363-S366 PolarHBondContact O-N 3.33Å
367G97.5Very high96.2Very high22 Ų2256.4 Ų56.423%0.22728%0.283CS..  trans66.3-170.6-171.600000113.9Y363 G369 I370Y363-G367 WeakPolarHBondContact O-CA 3.42Å; Y363-G367 PolarHBondContact O-N 2.95Å; G367-G369 PolarHBondContact O-N 3.18Å; G367-I370 VanDerWaalsContact O-CG2 3.23Å; G367-I370 WeakPolarHBondContact O-CG2 3.48Å; G367-I370 PolarHBondContact O-N 3.18Å
368P97.2Very high96.1Very high37 Ų3758.5 Ų58.524%0.2429%0.294CS..G310 helixtrans-57.2-26.1-175.7-26.133.1000115.4E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.79Å; E118-P368 HydrophobicContact CG-CB 4.08Å; Q122-P368 HydrophobicContact CB-CG 4.22Å; Y363-P368 HydrophobicContact CE2-CB 4.3Å; Y363-P368 HydrophobicContact CE2-CG 3.89Å; P368-I370 PolarHBondContact O-N 2.96Å; P368-I370 VanDerWaalsContact O-N 3.13Å; P368-V371 WeakPolarHBondContact O-CG1 3.31Å; P368-V371 PolarHBondContact O-N 3.21Å
369G97.3Very high96Very high29 Ų2961.7 Ų61.730%0.29931%0.311SS..G310 helixtrans-65.7-11.7-179.500000114.6G367 V371 H372G367-G369 PolarHBondContact O-N 3.18Å; G369-V371 PolarHBondContact O-N 2.72Å; G369-H372 PolarHBondContact O-N 3.27Å
370I97.6Very high95.9Very high10 Ų1063.1 Ų63.15%0.05131%0.313CS..G310 helixtrans-56.5-30.4175.1-170.258.4000112.6T121 I358 E362 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.42Å; I358-I370 HydrophobicContact CD1-CG2 4.34Å; I358-I370 HydrophobicContact CG2-CG1 4.02Å; I358-I370 HydrophobicContact CG2-CG2 3.62Å; E362-I370 HydrophobicContact CB-CG1 4.44Å; G367-I370 VanDerWaalsContact O-CG2 3.23Å; G367-I370 WeakPolarHBondContact O-CG2 3.48Å; G367-I370 PolarHBondContact O-N 3.18Å; P368-I370 PolarHBondContact O-N 2.96Å; P368-I370 VanDerWaalsContact O-N 3.13Å; I370-H372 PolarHBondContact O-N 3.19Å; I370-R373 HydrophobicContact CD1-CB 4.44Å; I370-R373 PolarHBondContact O-N 3.35Å; I370-K374 HydrophobicContact CD1-CG 4.37Å; I370-K374 HydrophobicContact CG1-CG 4.45Å; I370-K374 PolarHBondContact O-N 3.29Å
371V97.6Very high95.8Very high0 Ų063.5 Ų63.50%032%0.318CS..Hα-helixtrans-57-34.3178.771.90000112.6R117 E118 T121 V135 I358 P368 G369 R373 C375R117-V371 HydrophobicContact CB-CG1 3.76Å; R117-V371 HydrophobicContact CB-CG2 4.24Å; E118-V371 HydrophobicContact CG-CG1 4.43Å; T121-V371 WeakPolarHBondContact OG1-CB 3.32Å; V135-V371 HydrophobicContact CB-CG2 4.33Å; V135-V371 HydrophobicContact CG2-CG2 4.02Å; I358-V371 HydrophobicContact CD1-CB 4.28Å; I358-V371 HydrophobicContact CD1-CG2 4.37Å; P368-V371 WeakPolarHBondContact O-CG1 3.31Å; P368-V371 PolarHBondContact O-N 3.21Å; G369-V371 PolarHBondContact O-N 2.72Å; V371-R373 PolarHBondContact O-N 3Å; V371-C375 HydrophobicContact CG2-CB 4.07Å; V371-C375 WeakPolarHBondContact O-CB 3.2Å; V371-C375 PolarHBondContact O-N 3.05Å
372H96.2Very high95.7Very high42 Ų4259.1 Ų59.119%0.19430%0.299CS..Hα-helixtrans-75.5-13179.4-53.2-53.3000113.7K114 E118 G369 I370 F376K114-H372 VanDerWaalsContact CB-CE1 3.48Å; K114-H372 WeakPolarHBondContact CB-CE1 3.18Å; K114-H372 PolarHBondContact O-CE1 3.05Å; E118-H372 WeakPolarHBondContact CG-NE2 3.09Å; E118-H372 IonicContact OE1-CD2 2.99Å; E118-H372 PolarHBondContact OE1-CD2 3.17Å; E118-H372 IonicContact OE1-CE1 3.59Å; E118-H372 IonicContact OE1-NE2 2.75Å; E118-H372 PolarHBondContact OE1-NE2 2.73Å; G369-H372 PolarHBondContact O-N 3.27Å; I370-H372 PolarHBondContact O-N 3.19Å; H372-F376 WeakPolarHBondContact O-CE1 3.41Å
373R93.8Very high95.6Very high171 Ų17159.9 Ų59.965%0.64530%0.304SS*.Hα-helixtrans-98.7-20.1178.9-60.8-176.5-174.7164.82.9113.2I370 V371 F376I370-R373 HydrophobicContact CD1-CB 4.44Å; I370-R373 PolarHBondContact O-N 3.35Å; V371-R373 PolarHBondContact O-N 3Å; R373-F376 VanDerWaalsContact C-CZ 3.49Å; R373-F376 WeakPolarHBondContact O-CE2 3.35Å; R373-F376 WeakPolarHBondContact O-CZ 3.01Å
374K93.6Very high95.3Very high51 Ų5163.8 Ų63.822%0.22232%0.324CS..Hα-helixtrans-115.1-31.3-173.9-74.4-82.8-169.8139.50113.1Y134 I358 E362 I370Y134-K374 WeakPolarHBondContact CE2-O 3.34Å; I358-K374 HydrophobicContact CD1-CB 4.13Å; I358-K374 HydrophobicContact CG1-CB 3.73Å; I358-K374 HydrophobicContact CG1-CG 4.07Å; E362-K374 WeakPolarHBondContact OE1-CE 3.46Å; E362-K374 IonicContact OE1-NZ 3.26Å; E362-K374 PolarHBondContact OE1-NZ 2.96Å; E362-K374 IonicContact OE2-NZ 2.72Å; I370-K374 HydrophobicContact CD1-CG 4.37Å; I370-K374 HydrophobicContact CG1-CG 4.45Å; I370-K374 PolarHBondContact O-N 3.29Å
375C93Very high95.1Very high1 Ų160.4 Ų60.41%0.00731%0.305CS..  trans-108.699.2-178.1-56.50000109.8R117 Y134 V135 V371R117-C375 VanDerWaalsContact CZ-O 3.3Å; R117-C375 PolarHBondContact NH1-O 3.21Å; R117-C375 PolarHBondContact NH2-O 2.92Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.47Å; Y134-C375 HydrophobicContact CE2-CB 4.3Å; Y134-C375 VanDerWaalsContact CE2-SG 3.51Å; V135-C375 HydrophobicContact CB-CB 4.41Å; V135-C375 PolarHBondContact N-SG 3.33Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 VanDerWaalsContact O-CB 3.32Å; V135-C375 WeakPolarHBondContact O-CB 3.23Å; V371-C375 HydrophobicContact CG2-CB 4.07Å; V371-C375 WeakPolarHBondContact O-CB 3.2Å; V371-C375 PolarHBondContact O-N 3.05Å
376F82.9Confident94.9Very high169 Ų16953.4 Ų53.474%0.74127%0.274SS*.  trans-99.90-178.2-62.1-73.8000113.4H372 R373H372-F376 WeakPolarHBondContact O-CE1 3.41Å; R373-F376 VanDerWaalsContact C-CZ 3.49Å; R373-F376 WeakPolarHBondContact O-CE2 3.35Å; R373-F376 WeakPolarHBondContact O-CZ 3.01Å

Retrieved 376 of 376 residues in 239.7 ms (Link to these results)

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