A0A077Z2Y4_TRITR Loading...

Pancreatic lipase protein 1

AlphaFold DB , UniProt , Accession A0A077Z2Y4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 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
1M51.1Low88.2Confident206 Ų206101 Ų101100%1.01549%0.492SS*.  0127.70-105.8173.5-163.400109.7V3M1-V3 HydrophobicContact CB-CG2 4.42Å
2R69.3Low88.8Confident254 Ų25498.6 Ų98.696%0.95848%0.483SS*.  trans-94.295.1167.8-75.1-176.6-179177.21.8108
3V86.8Confident89.4Confident39 Ų3991.9 Ų91.924%0.23645%0.452CS..PPolyproline II helixtrans-84.9125172.4-178.70000107.6M1 Q88 S91M1-V3 HydrophobicContact CB-CG2 4.42Å; V3-Q88 HydrophobicContact CG1-CB 4.32Å; V3-S91 WeakPolarHBondContact O-CB 3.46Å; V3-S91 PolarHBondContact O-OG 3.41Å
4L93.3Very high90Very high143 Ų14388.9 Ų88.975%0.74944%0.441SS*.PPolyproline II helixtrans-74.9149.2173-67.2177.2000110.1Q88L4-Q88 PolarHBondContact O-NE2 3.35Å
5P95.6Very high90.5Very high41 Ų4183.3 Ų83.327%0.26641%0.413SS..PPolyproline II helixtrans-60148.4173.3-2031.8000111S91 I95P5-S91 VanDerWaalsContact CD-OG 3.3Å; P5-S91 WeakPolarHBondContact CD-OG 3.37Å; P5-S91 WeakPolarHBondContact CG-O 3.1Å; P5-S91 WeakPolarHBondContact CG-OG 3.42Å; P5-S91 VanDerWaalsContact N-OG 3.14Å; P5-I95 HydrophobicContact CB-CB 4.43Å; P5-I95 HydrophobicContact CB-CD1 4.19Å; P5-I95 HydrophobicContact CB-CG1 3.31Å; P5-I95 HydrophobicContact CG-CD1 4.42Å; P5-I95 HydrophobicContact CG-CG1 3.9Å
6Q96.8Very high90.9Very high45 Ų4583.5 Ų83.521%0.2141%0.408CS..PPolyproline II helixtrans-68.8160.2167-73.3167.3-30.700110.4K10 I11 Q88 N92Q6-K10 HydrophobicContact CB-CB 4.27Å; Q6-K10 HydrophobicContact CB-CD 4.13Å; Q6-K10 HydrophobicContact CB-CG 4.22Å; Q6-K10 HydrophobicContact CG-CD 3.92Å; Q6-K10 HydrophobicContact CG-CG 4.39Å; Q6-K10 VanDerWaalsContact NE2-CE 3.32Å; Q6-I11 HydrophobicContact CB-CD1 4.24Å; Q6-I11 HydrophobicContact CB-CG1 3.8Å; Q6-I11 WeakPolarHBondContact O-CD1 3.35Å; Q6-Q88 HydrophobicContact CG-CG 4.14Å; Q6-N92 PolarHBondContact N-OD1 2.92Å; Q6-N92 PolarHBondContact OE1-ND2 3.02Å
7S96Very high91.3Very high56 Ų5678.7 Ų78.739%0.39238%0.384SS..PPolyproline II helixtrans-66.7154.717780.50000111.2E9 K10 I11S7-E9 WeakPolarHBondContact CB-OE2 3.22Å; S7-E9 PolarHBondContact O-N 3.23Å; S7-E9 PolarHBondContact OG-OE2 3.4Å; S7-K10 PolarHBondContact O-N 2.84Å; S7-K10 PolarHBondContact OG-N 3.47Å; S7-I11 PolarHBondContact O-N 2.73Å
8P95Very high91.7Very high53 Ų5376.9 Ų76.934%0.34437%0.373SS..Hα-helixtrans-53.6-37.3176.5-27.236.3000113.5K10 I11 D12 I95 M99P8-K10 VanDerWaalsContact C-N 3.27Å; P8-K10 PolarHBondContact O-N 3.49Å; P8-I11 PolarHBondContact O-N 2.72Å; P8-D12 WeakPolarHBondContact O-CA 3.32Å; P8-D12 PolarHBondContact O-N 2.58Å; P8-I95 HydrophobicContact CG-CG2 4.1Å; P8-M99 HydrophobicContact CB-CE 4.3Å; P8-M99 HydrophobicContact CB-SD 4.14Å
9E94.3Very high92Very high142 Ų14273.5 Ų73.566%0.66436%0.357SS*.Hα-helixtrans-68.9-27.3179.6-51.871.1-15100112S7S7-E9 WeakPolarHBondContact CB-OE2 3.22Å; S7-E9 PolarHBondContact O-N 3.23Å; S7-E9 PolarHBondContact OG-OE2 3.4Å
10K95.5Very high92.2Very high132 Ų13271 Ų7157%0.57435%0.347SS*.Hα-helixtrans-85.1-36.5176.9-176.5167.9-176175.20112.2Q6 S7 P8Q6-K10 HydrophobicContact CB-CB 4.27Å; Q6-K10 HydrophobicContact CB-CD 4.13Å; Q6-K10 HydrophobicContact CB-CG 4.22Å; Q6-K10 HydrophobicContact CG-CD 3.92Å; Q6-K10 HydrophobicContact CG-CG 4.39Å; Q6-K10 VanDerWaalsContact NE2-CE 3.32Å; S7-K10 PolarHBondContact O-N 2.84Å; S7-K10 PolarHBondContact OG-N 3.47Å; P8-K10 VanDerWaalsContact C-N 3.27Å; P8-K10 PolarHBondContact O-N 3.49Å
11I96.6Very high92.2Very high0 Ų071.7 Ų71.70%037%0.373CS..Hα-helixtrans-71.9-38.2175-62.6167.6000110.3Q6 S7 P8 K79 N92 I95 I96Q6-I11 HydrophobicContact CB-CD1 4.24Å; Q6-I11 HydrophobicContact CB-CG1 3.8Å; Q6-I11 WeakPolarHBondContact O-CD1 3.35Å; S7-I11 PolarHBondContact O-N 2.73Å; P8-I11 PolarHBondContact O-N 2.72Å; I11-K79 WeakPolarHBondContact O-CB 3.19Å; I11-N92 HydrophobicContact CD1-CB 3.81Å; I11-N92 HydrophobicContact CG1-CB 4.34Å; I11-I95 HydrophobicContact CD1-CB 3.99Å; I11-I95 HydrophobicContact CD1-CG2 3.94Å; I11-I96 HydrophobicContact CB-CD1 4.5Å; I11-I96 HydrophobicContact CG2-CD1 3.39Å; I11-I96 HydrophobicContact CG2-CG1 4.22Å
12D95.4Very high94.2Very high72 Ų7266.4 Ų66.439%0.38534%0.344SS..  trans42.560.3174.4-171.136.4000113.4P8 K79P8-D12 WeakPolarHBondContact O-CA 3.32Å; P8-D12 PolarHBondContact O-N 2.58Å; D12-K79 HydrophobicContact CB-CD 3.9Å; D12-K79 IonicContact OD2-NZ 2.58Å; D12-K79 PolarHBondContact OD2-NZ 3.04Å
13P97.2Very high95.1Very high12 Ų1262.2 Ų62.28%0.07834%0.341CS..  trans-73.3145.4179.533.4-34000110.6F15 D76 W77 I96 M99P13-F15 HydrophobicContact CB-CZ 4.44Å; P13-F15 HydrophobicContact CG-CE2 4.21Å; P13-F15 HydrophobicContact CG-CZ 4.24Å; P13-D76 CarbonylContact C-O 3.58Å; P13-D76 VanDerWaalsContact CA-O 3.27Å; P13-D76 WeakPolarHBondContact CA-O 3.21Å; P13-W77 HydrophobicContact CB-CB 4.03Å; P13-I96 HydrophobicContact CB-CD1 3.88Å; P13-I96 HydrophobicContact CG-CD1 3.81Å; P13-M99 HydrophobicContact CG-CE 3.32Å; P13-M99 HydrophobicContact CG-SD 3.71Å
14T97.3Very high95.3Very high50 Ų5070.5 Ų70.531%0.30737%0.368SS..EExtended strand (participates in β ladder)trans-111151.1174.761.70000110.6W16 D76T14-W16 PolarHBondContact OG1-NE1 3.4Å; T14-D76 PolarHBondContact N-O 3.13Å; T14-D76 PolarHBondContact O-N 2.94Å
15F97.7Very high95.4Very high4 Ų465.4 Ų65.42%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-127124.4-175.8-58.3-86.9000108.7P13 L28 F30 I74 V75 M99 V100 L103P13-F15 HydrophobicContact CB-CZ 4.44Å; P13-F15 HydrophobicContact CG-CE2 4.21Å; P13-F15 HydrophobicContact CG-CZ 4.24Å; F15-L28 HydrophobicContact CB-CB 3.97Å; F15-L28 HydrophobicContact CB-CD1 4.26Å; F15-L28 HydrophobicContact CB-CG 4.46Å; F15-L28 PolarHBondContact O-N 3.36Å; F15-F30 HydrophobicContact CD2-CB 3.64Å; F15-F30 HydrophobicContact CD2-CD2 4.25Å; F15-F30 HydrophobicContact CD2-CG 4.09Å; F15-F30 HydrophobicContact CE2-CB 3.67Å; F15-F30 HydrophobicContact CE2-CD1 4.27Å; F15-F30 AromaticContact CE2-CD2 3.7Å; F15-F30 HydrophobicContact CE2-CD2 3.7Å; F15-F30 HydrophobicContact CE2-CE2 4.45Å; F15-F30 AromaticContact CE2-CG 3.6Å; F15-F30 HydrophobicContact CE2-CG 3.6Å; F15-F30 HydrophobicContact CZ-CD2 4.11Å; F15-F30 HydrophobicContact CZ-CE2 4.5Å; F15-F30 HydrophobicContact CZ-CG 4.4Å; F15-I74 WeakPolarHBondContact CA-O 3.44Å; F15-V75 HydrophobicContact CD1-CB 4.45Å; F15-V75 HydrophobicContact CD1-CG1 4.26Å; F15-V75 HydrophobicContact CD1-CG2 3.98Å; F15-V75 HydrophobicContact CE1-CB 4.43Å; F15-V75 HydrophobicContact CE1-CG1 3.82Å; F15-V75 HydrophobicContact CE1-CG2 4.02Å; F15-M99 HydrophobicContact CZ-CB 4.44Å; F15-V100 HydrophobicContact CE1-CG2 4.36Å; F15-L103 HydrophobicContact CD1-CD2 3.63Å; F15-L103 HydrophobicContact CE1-CD2 3.97Å; F15-L103 HydrophobicContact CG-CD2 4.32Å
16W97.1Very high95.4Very high87 Ų8766.1 Ų66.133%0.3335%0.345SS..EExtended strand (participates in β ladder)trans-124.2117.8-172.9-6191.2000110.1T14 Y18 P25 P27 I73 I74T14-W16 PolarHBondContact OG1-NE1 3.4Å; W16-Y18 HydrophobicContact CB-CD2 4.39Å; W16-Y18 HydrophobicContact CB-CE2 3.74Å; W16-P25 HydrophobicContact CB-CB 4.3Å; W16-P25 HydrophobicContact CE3-CB 4.32Å; W16-P25 HydrophobicContact CE3-CG 4.04Å; W16-P27 HydrophobicContact CE3-CB 4.05Å; W16-P27 HydrophobicContact CH2-CB 4.25Å; W16-P27 HydrophobicContact CZ3-CB 3.75Å; W16-P27 HydrophobicContact CZ3-CG 4.33Å; W16-I73 CarbonylContact O-C 3.53Å; W16-I73 VanDerWaalsContact O-CA 3.28Å; W16-I73 WeakPolarHBondContact O-CA 3.3Å; W16-I74 HydrophobicContact CB-CB 4.47Å; W16-I74 PolarHBondContact N-O 2.98Å; W16-I74 PolarHBondContact O-N 3.23Å
17L97.6Very high95.3Very high2 Ų267.7 Ų67.71%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-89.6121.7176.8175.666.9000110.1T19 P25 D26 L28 I36 V38 N71 V72 I73L17-T19 HydrophobicContact CD1-CG2 4.18Å; L17-T19 HydrophobicContact CD2-CG2 4.1Å; L17-T19 HydrophobicContact CG-CG2 3.93Å; L17-P25 CarbonylContact O-C 3.56Å; L17-P25 WeakPolarHBondContact O-CA 3.32Å; L17-P25 WeakPolarHBondContact O-CB 3.48Å; L17-D26 HydrophobicContact CB-CB 4.42Å; L17-D26 PolarHBondContact N-O 2.94Å; L17-D26 PolarHBondContact O-N 3.29Å; L17-L28 HydrophobicContact CB-CD1 4.27Å; L17-L28 HydrophobicContact CB-CD2 3.87Å; L17-L28 HydrophobicContact CB-CG 4.09Å; L17-L28 HydrophobicContact CD2-CD2 4.34Å; L17-I36 HydrophobicContact CD2-CD1 4.23Å; L17-I36 HydrophobicContact CD2-CG1 4.26Å; L17-V38 HydrophobicContact CD1-CG2 4.46Å; L17-V38 HydrophobicContact CD2-CB 4.23Å; L17-V38 HydrophobicContact CD2-CG2 4.34Å; L17-N71 HydrophobicContact CD1-CB 4.42Å; L17-V72 CarbonylContact C-O 3.57Å; L17-I73 HydrophobicContact CB-CG1 4.36Å; L17-I73 HydrophobicContact CD1-CD1 4.43Å; L17-I73 HydrophobicContact CD1-CG1 3.78Å
18Y98.1Very high95.2Very high46 Ų4666 Ų6618%0.1835%0.346CS..EExtended strand (participates in β ladder)trans-107133.6170.2-65.8-106.5000108.3W16 P25 L59 T62 V72 I74W16-Y18 HydrophobicContact CB-CD2 4.39Å; W16-Y18 HydrophobicContact CB-CE2 3.74Å; Y18-P25 HydrophobicContact CD1-CB 3.92Å; Y18-P25 HydrophobicContact CD1-CG 4.49Å; Y18-P25 HydrophobicContact CD2-CB 3.83Å; Y18-P25 HydrophobicContact CE1-CB 3.71Å; Y18-P25 HydrophobicContact CE1-CG 3.84Å; Y18-P25 HydrophobicContact CE2-CB 3.59Å; Y18-P25 HydrophobicContact CE2-CG 4.14Å; Y18-P25 HydrophobicContact CG-CB 3.97Å; Y18-L59 HydrophobicContact CE1-CD2 4.49Å; Y18-T62 HydrophobicContact CD1-CG2 3.91Å; Y18-T62 HydrophobicContact CD2-CG2 4.26Å; Y18-T62 HydrophobicContact CG-CG2 3.76Å; Y18-V72 PolarHBondContact N-O 2.77Å; Y18-V72 PolarHBondContact O-N 3.24Å; Y18-I74 HydrophobicContact CD2-CD1 4.07Å; Y18-I74 HydrophobicContact CD2-CG1 4.15Å; Y18-I74 HydrophobicContact CE2-CB 4.32Å; Y18-I74 HydrophobicContact CE2-CD1 3.42Å; Y18-I74 VanDerWaalsContact CE2-CD1 3.42Å; Y18-I74 HydrophobicContact CE2-CG1 3.85Å
19T97.7Very high94.8Very high12 Ų1269.8 Ų69.87%0.07436%0.363CS..  trans-130.6143178.260.60000109.9L17 G21 K22 N71L17-T19 HydrophobicContact CD1-CG2 4.18Å; L17-T19 HydrophobicContact CD2-CG2 4.1Å; L17-T19 HydrophobicContact CG-CG2 3.93Å; T19-G21 PolarHBondContact O-N 2.88Å; T19-K22 PolarHBondContact O-N 3.13Å; T19-K22 VanDerWaalsContact OG1-CD 3.25Å; T19-K22 WeakPolarHBondContact OG1-CD 3.3Å; T19-K22 VanDerWaalsContact OG1-CG 3.3Å; T19-K22 WeakPolarHBondContact OG1-CG 3.41Å; T19-N71 WeakPolarHBondContact CG2-OD1 3.36Å
20P96.4Very high94.5Very high23 Ų2366 Ų6615%0.14934%0.344CS..THydrogen-bonded Turntrans-53.4137.1178.5-26.631.2000112.2K22 R42 L66 N70 N71P20-K22 VanDerWaalsContact C-N 3.32Å; P20-K22 PolarHBondContact O-N 3.25Å; P20-R42 VanDerWaalsContact CD-NH1 3.31Å; P20-L66 HydrophobicContact CG-CD2 4.01Å; P20-N70 VanDerWaalsContact CD-O 3.24Å; P20-N70 WeakPolarHBondContact CD-O 3.4Å; P20-N70 VanDerWaalsContact CG-O 3.31Å; P20-N70 WeakPolarHBondContact CG-O 3.49Å; P20-N71 WeakPolarHBondContact CD-OD1 3.18Å
21G91.2Very high93.9Very high86 Ų8663.3 Ų63.389%0.88734%0.34SS*.THydrogen-bonded Turntrans82.6-8.6179.500000116.1T19T19-G21 PolarHBondContact O-N 2.88Å
22K92.4Very high93.4Very high96 Ų9666.6 Ų66.642%0.41736%0.363SS..  trans-91.8134.9172.5-70.5-164.4-171.2-177.20111.5T19 P20 D26T19-K22 PolarHBondContact O-N 3.13Å; T19-K22 VanDerWaalsContact OG1-CD 3.25Å; T19-K22 WeakPolarHBondContact OG1-CD 3.3Å; T19-K22 VanDerWaalsContact OG1-CG 3.3Å; T19-K22 WeakPolarHBondContact OG1-CG 3.41Å; P20-K22 VanDerWaalsContact C-N 3.32Å; P20-K22 PolarHBondContact O-N 3.25Å; K22-D26 IonicContact NZ-OD1 2.76Å; K22-D26 IonicContact NZ-OD2 2.68Å; K22-D26 PolarHBondContact NZ-OD2 2.85Å
23N88.5Confident93Very high166 Ų16663.5 Ų63.589%0.88835%0.347SS*.SBendtrans-78.8-17.1178.2-70.3-23000114.2
24R92Very high92.3Very high212 Ų21270.5 Ų70.580%0.838%0.382SS*.SBendtrans-134.3143.2-178.4-65.3-175.5-178178.61.2109.9
25P95.4Very high91.6Very high36 Ų3671.3 Ų71.323%0.23440%0.401CS..PPolyproline II helixtrans-73150.4173.431.4-35.5000111.5W16 L17 Y18W16-P25 HydrophobicContact CB-CB 4.3Å; W16-P25 HydrophobicContact CE3-CB 4.32Å; W16-P25 HydrophobicContact CE3-CG 4.04Å; L17-P25 CarbonylContact O-C 3.56Å; L17-P25 WeakPolarHBondContact O-CA 3.32Å; L17-P25 WeakPolarHBondContact O-CB 3.48Å; Y18-P25 HydrophobicContact CD1-CB 3.92Å; Y18-P25 HydrophobicContact CD1-CG 4.49Å; Y18-P25 HydrophobicContact CD2-CB 3.83Å; Y18-P25 HydrophobicContact CE1-CB 3.71Å; Y18-P25 HydrophobicContact CE1-CG 3.84Å; Y18-P25 HydrophobicContact CE2-CB 3.59Å; Y18-P25 HydrophobicContact CE2-CG 4.14Å; Y18-P25 HydrophobicContact CG-CB 3.97Å
26D94.6Very high91.1Very high57 Ų5772.6 Ų72.631%0.30541%0.408SS..EExtended strand (participates in β ladder)trans-89.5124171.3-62.2-58.6000109.3L17 K22L17-D26 HydrophobicContact CB-CB 4.42Å; L17-D26 PolarHBondContact N-O 2.94Å; L17-D26 PolarHBondContact O-N 3.29Å; K22-D26 IonicContact NZ-OD1 2.76Å; K22-D26 IonicContact NZ-OD2 2.68Å; K22-D26 PolarHBondContact NZ-OD2 2.85Å
27P94.4Very high90.6Very high78 Ų7876.2 Ų76.251%0.50643%0.428SS..EExtended strand (participates in β ladder)trans-67.5134.1170.628.1-32.3000109.8W16W16-P27 HydrophobicContact CE3-CB 4.05Å; W16-P27 HydrophobicContact CH2-CB 4.25Å; W16-P27 HydrophobicContact CZ3-CB 3.75Å; W16-P27 HydrophobicContact CZ3-CG 4.33Å
28L94Very high90.3Very high21 Ų2177.3 Ų77.311%0.1144%0.435CS..PPolyproline II helixtrans-94.2124.9175.2-58-177.7000110.5F15 L17 F30 L33 I36 I73 L103F15-L28 HydrophobicContact CB-CB 3.97Å; F15-L28 HydrophobicContact CB-CD1 4.26Å; F15-L28 HydrophobicContact CB-CG 4.46Å; F15-L28 PolarHBondContact O-N 3.36Å; L17-L28 HydrophobicContact CB-CD1 4.27Å; L17-L28 HydrophobicContact CB-CD2 3.87Å; L17-L28 HydrophobicContact CB-CG 4.09Å; L17-L28 HydrophobicContact CD2-CD2 4.34Å; L28-F30 VanDerWaalsContact C-N 3.25Å; L28-F30 PolarHBondContact O-N 3.39Å; L28-L33 HydrophobicContact CB-CD2 3.92Å; L28-L33 HydrophobicContact CD1-CD2 4.34Å; L28-L33 HydrophobicContact CD2-CD2 4.39Å; L28-L33 HydrophobicContact CG-CD2 4.46Å; L28-I36 HydrophobicContact CD2-CD1 3.8Å; L28-I36 HydrophobicContact CD2-CG1 4.24Å; L28-I73 HydrophobicContact CD1-CD1 3.74Å; L28-I73 HydrophobicContact CD1-CG1 4.02Å; L28-I73 HydrophobicContact CD1-CG2 4.41Å; L28-L103 HydrophobicContact CD1-CD1 4.26Å
29N87.7Confident90.1Very high131 Ų13178.8 Ų78.870%0.70145%0.446SS*.  trans-77.564.8-177.7-71-37.3000112.7P31 S32N29-P31 CarbonylContact O-C 3.59Å; N29-S32 CarbonylContact C-O 3.52Å; N29-S32 CarbonylContact O-C 3.39Å; N29-S32 WeakPolarHBondContact O-CA 3.48Å; N29-S32 PolarHBondContact O-N 2.9Å
30F87.9Confident90Very high64 Ų6480 Ų8028%0.28145%0.453SS..THydrogen-bonded Turntrans-53.7134.7-179.2-177.8-87.6000112.5F15 L28 M99 T102 L103F15-F30 HydrophobicContact CD2-CB 3.64Å; F15-F30 HydrophobicContact CD2-CD2 4.25Å; F15-F30 HydrophobicContact CD2-CG 4.09Å; F15-F30 HydrophobicContact CE2-CB 3.67Å; F15-F30 HydrophobicContact CE2-CD1 4.27Å; F15-F30 AromaticContact CE2-CD2 3.7Å; F15-F30 HydrophobicContact CE2-CD2 3.7Å; F15-F30 HydrophobicContact CE2-CE2 4.45Å; F15-F30 AromaticContact CE2-CG 3.6Å; F15-F30 HydrophobicContact CE2-CG 3.6Å; F15-F30 HydrophobicContact CZ-CD2 4.11Å; F15-F30 HydrophobicContact CZ-CE2 4.5Å; F15-F30 HydrophobicContact CZ-CG 4.4Å; L28-F30 VanDerWaalsContact C-N 3.25Å; L28-F30 PolarHBondContact O-N 3.39Å; F30-M99 HydrophobicContact CD1-CE 3.93Å; F30-M99 HydrophobicContact CE1-CE 3.52Å; F30-M99 HydrophobicContact CE1-CG 4.48Å; F30-M99 HydrophobicContact CE2-CB 4.4Å; F30-M99 WeakPolarHBondContact CE2-O 3.3Å; F30-M99 HydrophobicContact CZ-CB 4.02Å; F30-M99 HydrophobicContact CZ-CE 4.07Å; F30-M99 HydrophobicContact CZ-CG 4.2Å; F30-T102 HydrophobicContact CE2-CG2 4.1Å; F30-T102 HydrophobicContact CZ-CG2 4.09Å; F30-L103 HydrophobicContact CD2-CB 4.37Å; F30-L103 HydrophobicContact CD2-CD1 4.26Å; F30-L103 HydrophobicContact CE2-CB 4.32Å
31P82.3Confident90Very high74 Ų7483.6 Ų83.648%0.48148%0.479SS..THydrogen-bonded Turncis-86.7-10.23.534.5-35.3000114.6N29 N106N29-P31 CarbonylContact O-C 3.59Å; P31-N106 PolarHBondContact O-ND2 2.67Å
32S86.8Confident90.3Very high69 Ų6982 Ų8248%0.48345%0.446SS..  trans-80.3124.9-175.5-1740000112.4N29 L34N29-S32 CarbonylContact C-O 3.52Å; N29-S32 CarbonylContact O-C 3.39Å; N29-S32 WeakPolarHBondContact O-CA 3.48Å; N29-S32 PolarHBondContact O-N 2.9Å; S32-L34 PolarHBondContact OG-N 2.61Å
33L87.7Confident90.5Very high8 Ų880.6 Ų80.64%0.04244%0.441CS..  trans-109.324.6173.5-56.1-179.2000111.6L28 G35 I36 L103 N106 L107L28-L33 HydrophobicContact CB-CD2 3.92Å; L28-L33 HydrophobicContact CD1-CD2 4.34Å; L28-L33 HydrophobicContact CD2-CD2 4.39Å; L28-L33 HydrophobicContact CG-CD2 4.46Å; L33-G35 PolarHBondContact O-N 2.76Å; L33-I36 HydrophobicContact CB-CB 4.43Å; L33-I36 HydrophobicContact CB-CG2 4.29Å; L33-I36 WeakPolarHBondContact O-CB 3.49Å; L33-I36 WeakPolarHBondContact O-CG2 3.46Å; L33-I36 PolarHBondContact O-N 3.41Å; L33-I36 VanDerWaalsContact O-N 3.13Å; L33-L103 HydrophobicContact CD1-CD1 3.88Å; L33-L103 HydrophobicContact CD2-CD1 3.97Å; L33-L103 HydrophobicContact CG-CD1 4.39Å; L33-N106 HydrophobicContact CD1-CB 3.98Å; L33-N106 HydrophobicContact CG-CB 4.27Å; L33-L107 HydrophobicContact CD1-CB 4.31Å; L33-L107 HydrophobicContact CD1-CD2 3.6Å; L33-L107 HydrophobicContact CD1-CG 3.5Å
34L82Confident91Very high158 Ų15872.8 Ų72.883%0.82740%0.399SS*.THydrogen-bonded Turntrans-59.7127.2179.4-16390.7000110.2S32 I36S32-L34 PolarHBondContact OG-N 2.61Å; L34-I36 VanDerWaalsContact C-N 3.3Å; L34-I36 PolarHBondContact O-N 2.91Å
35G81.7Confident91.3Very high67 Ų6762.7 Ų62.769%0.69136%0.361SS*.THydrogen-bonded Turntrans77.311.2179.500000114.7L33 Q37L33-G35 PolarHBondContact O-N 2.76Å; G35-Q37 PolarHBondContact O-N 3.12Å
36I88.1Confident91.5Very high32 Ų3261 Ų6116%0.16435%0.35CS..  trans-55.3125.8171.8-169.4175000110.1L17 L28 L33 L34 V38 L107 T111L17-I36 HydrophobicContact CD2-CD1 4.23Å; L17-I36 HydrophobicContact CD2-CG1 4.26Å; L28-I36 HydrophobicContact CD2-CD1 3.8Å; L28-I36 HydrophobicContact CD2-CG1 4.24Å; L33-I36 HydrophobicContact CB-CB 4.43Å; L33-I36 HydrophobicContact CB-CG2 4.29Å; L33-I36 WeakPolarHBondContact O-CB 3.49Å; L33-I36 WeakPolarHBondContact O-CG2 3.46Å; L33-I36 PolarHBondContact O-N 3.41Å; L33-I36 VanDerWaalsContact O-N 3.13Å; L34-I36 VanDerWaalsContact C-N 3.3Å; L34-I36 PolarHBondContact O-N 2.91Å; I36-V38 HydrophobicContact CD1-CG1 4.38Å; I36-V38 HydrophobicContact CG1-CG1 4.36Å; I36-L107 HydrophobicContact CD1-CD2 3.66Å; I36-T111 HydrophobicContact CG2-CG2 3.62Å
37Q85.6Confident91.7Very high162 Ų16258.3 Ų58.376%0.75734%0.336SS*.  trans-105.599176.5-65.8-172.42.800109G35G35-Q37 PolarHBondContact O-N 3.12Å
38V92.2Very high91.9Very high25 Ų2554.6 Ų54.615%0.15231%0.311CS..  trans-136.1133.8-18064.80000109.8L17 I36 T40 N71 T111 Y113L17-V38 HydrophobicContact CD1-CG2 4.46Å; L17-V38 HydrophobicContact CD2-CB 4.23Å; L17-V38 HydrophobicContact CD2-CG2 4.34Å; I36-V38 HydrophobicContact CD1-CG1 4.38Å; I36-V38 HydrophobicContact CG1-CG1 4.36Å; V38-T40 HydrophobicContact CG1-CG2 4.23Å; V38-T40 PolarHBondContact O-N 3.44Å; V38-N71 HydrophobicContact CG2-CB 4.34Å; V38-N71 WeakPolarHBondContact CG2-ND2 3.38Å; V38-T111 HydrophobicContact CG1-CG2 3.77Å; V38-Y113 HydrophobicContact CG1-CE2 4.01Å; V38-Y113 HydrophobicContact CG2-CE2 4Å
39N94.5Very high92.1Very high77 Ų7753.6 Ų53.641%0.41231%0.306SS..  trans-76.5107.5173.7-1809.8000109.4S41 R42 N71 Y113N39-S41 VanDerWaalsContact C-N 3.26Å; N39-S41 PolarHBondContact ND2-OG 3.13Å; N39-S41 PolarHBondContact O-N 2.84Å; N39-S41 WeakPolarHBondContact OD1-CB 3.47Å; N39-S41 PolarHBondContact OD1-N 3.05Å; N39-S41 PolarHBondContact OD1-OG 3.45Å; N39-R42 PolarHBondContact O-N 2.9Å; N39-N71 PolarHBondContact O-ND2 3.35Å; N39-Y113 PolarHBondContact O-OH 3.21Å
40T95.7Very high92.4Very high38 Ų3847.4 Ų47.423%0.23327%0.274CS..THydrogen-bonded Turntrans-80.2-1-177.459.40000114.1V38 R42 Y113V38-T40 HydrophobicContact CG1-CG2 4.23Å; V38-T40 PolarHBondContact O-N 3.44Å; T40-R42 PolarHBondContact O-N 3.49Å; T40-Y113 HydrophobicContact CG2-CD1 4.28Å; T40-Y113 HydrophobicContact CG2-CD2 3.86Å; T40-Y113 HydrophobicContact CG2-CE1 4.37Å; T40-Y113 HydrophobicContact CG2-CE2 3.94Å; T40-Y113 HydrophobicContact CG2-CG 4.01Å
41S96.2Very high92.6Very high98 Ų9845.3 Ų45.369%0.68526%0.264SS*.THydrogen-bonded Turntrans-71.7-9.4169.478.50000112.9N39N39-S41 VanDerWaalsContact C-N 3.26Å; N39-S41 PolarHBondContact ND2-OG 3.13Å; N39-S41 PolarHBondContact O-N 2.84Å; N39-S41 WeakPolarHBondContact OD1-CB 3.47Å; N39-S41 PolarHBondContact OD1-N 3.05Å; N39-S41 PolarHBondContact OD1-OG 3.45Å
42R96.8Very high92.9Very high52 Ų5242 Ų4220%0.19624%0.244CC..SBendtrans-103.9137.8-178.5-62.7177.3169.3167.9-8.7110.1P20 N39 T40 D69 Y113P20-R42 VanDerWaalsContact CD-NH1 3.31Å; N39-R42 PolarHBondContact O-N 2.9Å; T40-R42 PolarHBondContact O-N 3.49Å; R42-D69 VanDerWaalsContact CB-O 3.29Å; R42-D69 WeakPolarHBondContact CB-O 3.5Å; R42-D69 VanDerWaalsContact CD-O 3.29Å; R42-D69 WeakPolarHBondContact CD-O 3.43Å; R42-D69 WeakPolarHBondContact CG-O 3.48Å; R42-D69 IonicContact CZ-OD1 3.71Å; R42-D69 IonicContact CZ-OD2 2.66Å; R42-D69 VanDerWaalsContact NE-CG 3.29Å; R42-D69 IonicContact NE-OD1 3.89Å; R42-D69 PolarHBondContact NE-OD1 3.07Å; R42-D69 IonicContact NE-OD2 2.79Å; R42-D69 PolarHBondContact NE-OD2 2.96Å; R42-D69 VanDerWaalsContact NE-OD2 3.13Å; R42-D69 IonicContact NH2-OD1 2.67Å; R42-D69 PolarHBondContact NH2-OD1 3.17Å; R42-D69 IonicContact NH2-OD2 3.45Å; R42-Y113 WeakPolarHBondContact O-CE1 3.37Å; R42-Y113 PolarHBondContact O-OH 2.92Å
43E97.1Very high92.9Very high68 Ų6844.6 Ų44.632%0.31825%0.248SC..  trans-58.7152.4171-60.5-165.6146.200111.1Y45 N70 N71 R144E43-Y45 HydrophobicContact CB-CE2 3.99Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.25Å; E43-Y45 PolarHBondContact OE2-OH 3.06Å; E43-N70 WeakPolarHBondContact CB-OD1 3.24Å; E43-N71 PolarHBondContact O-N 3.04Å; E43-R144 IonicContact OE1-NH2 2.76Å; E43-R144 PolarHBondContact OE1-NH2 2.95Å; E43-R144 IonicContact OE2-CZ 2.91Å; E43-R144 IonicContact OE2-NH2 2.7Å; E43-R144 PolarHBondContact OE2-NH2 2.93Å
44L98.4Very high93Very high1 Ų147.9 Ų47.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-113.4122.9178.5176.662.9000110.7I46 N71 I73 L107 Y113 D117 I118 T119L44-I46 HydrophobicContact CG-CG1 4.39Å; L44-N71 WeakPolarHBondContact CA-O 3.4Å; L44-N71 HydrophobicContact CD1-CB 3.9Å; L44-I73 HydrophobicContact CD1-CD1 3.99Å; L44-I73 HydrophobicContact CD1-CG1 3.96Å; L44-I73 HydrophobicContact CD2-CD1 4.03Å; L44-L107 HydrophobicContact CD2-CD1 3.75Å; L44-Y113 HydrophobicContact CB-CE1 4.18Å; L44-Y113 HydrophobicContact CB-CE2 4.19Å; L44-Y113 HydrophobicContact CD2-CD2 4.29Å; L44-Y113 HydrophobicContact CD2-CE2 4.07Å; L44-D117 PolarHBondContact N-O 3.3Å; L44-I118 HydrophobicContact CB-CG1 4.42Å; L44-I118 HydrophobicContact CD2-CG1 4.35Å; L44-I118 WeakPolarHBondContact O-CA 3.14Å; L44-T119 PolarHBondContact O-N 3.13Å
45Y98.7Very high93.4Very high1 Ų141.4 Ų41.40%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-102.9128.3172.8-73.1-103.2000110.3E43 L65 N70 N71 V72 I73 T119 V121 R144 F287E43-Y45 HydrophobicContact CB-CE2 3.99Å; E43-Y45 WeakPolarHBondContact OE2-CE2 3.25Å; E43-Y45 PolarHBondContact OE2-OH 3.06Å; Y45-L65 HydrophobicContact CD1-CD1 4.11Å; Y45-L65 HydrophobicContact CD1-CD2 3.81Å; Y45-L65 HydrophobicContact CD2-CD2 4.07Å; Y45-L65 HydrophobicContact CE1-CD2 3.95Å; Y45-L65 HydrophobicContact CE2-CD2 4.21Å; Y45-L65 HydrophobicContact CG-CD1 3.94Å; Y45-L65 HydrophobicContact CG-CD2 3.9Å; Y45-L65 HydrophobicContact CG-CG 4.49Å; Y45-N70 HydrophobicContact CD2-CB 3.77Å; Y45-N70 HydrophobicContact CE2-CB 3.99Å; Y45-N71 PolarHBondContact N-O 2.92Å; Y45-V72 CarbonylContact O-C 3.56Å; Y45-V72 VanDerWaalsContact O-CA 3.28Å; Y45-V72 WeakPolarHBondContact O-CA 3.25Å; Y45-I73 PolarHBondContact O-N 3.31Å; Y45-T119 CarbonylContact C-O 3.28Å; Y45-T119 VanDerWaalsContact CA-O 3.3Å; Y45-T119 WeakPolarHBondContact CA-O 3.17Å; Y45-T119 HydrophobicContact CD1-CG2 3.84Å; Y45-T119 HydrophobicContact CE1-CG2 3.59Å; Y45-V121 HydrophobicContact CD1-CG2 3.88Å; Y45-R144 PolarHBondContact OH-NH1 3.31Å; Y45-R144 PolarHBondContact OH-NH2 3.39Å; Y45-F287 AromaticContact CE1-CE2 3.55Å; Y45-F287 HydrophobicContact CE1-CE2 3.55Å; Y45-F287 HydrophobicContact CE1-CZ 4.17Å; Y45-F287 HydrophobicContact CE2-CE2 4.39Å; Y45-F287 HydrophobicContact CE2-CZ 4.21Å; Y45-F287 AromaticContact CZ-CE2 3.46Å; Y45-F287 VanDerWaalsContact CZ-CE2 3.46Å; Y45-F287 AromaticContact CZ-CZ 3.6Å; Y45-F287 VanDerWaalsContact OH-CE2 3.24Å; Y45-F287 WeakPolarHBondContact OH-CE2 3.49Å; Y45-F287 WeakPolarHBondContact OH-CZ 3.41Å
46I98.8Very high93.7Very high0 Ų045.5 Ų45.50%023%0.229CC..EExtended strand (participates in β ladder)trans-107.4110.2174.1-54.7178.8000108.4L44 V48 I73 V75 V100 V104 I118 T119 M120 V121L44-I46 HydrophobicContact CG-CG1 4.39Å; I46-V48 HydrophobicContact CG2-CG2 4.37Å; I46-I73 CarbonylContact C-O 3.26Å; I46-I73 WeakPolarHBondContact CA-O 3.47Å; I46-I73 HydrophobicContact CG1-CB 4.36Å; I46-I73 HydrophobicContact CG2-CG2 4.46Å; I46-V75 HydrophobicContact CG2-CG2 3.62Å; I46-V100 HydrophobicContact CG2-CG1 4.35Å; I46-V104 HydrophobicContact CD1-CG2 3.61Å; I46-I118 HydrophobicContact CD1-CG2 3.9Å; I46-I118 HydrophobicContact CG1-CG2 4.26Å; I46-T119 PolarHBondContact N-O 3.47Å; I46-M120 HydrophobicContact CB-CG 4.18Å; I46-V121 PolarHBondContact O-N 3.21Å
47L98.9Very high94Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-92.9125.7-178.3-51.6-172.7000110.5W57 I58 M61 T62 L65 V72 I73 V75 V121L47-W57 HydrophobicContact CD1-CZ3 4.43Å; L47-I58 HydrophobicContact CB-CD1 4.17Å; L47-I58 HydrophobicContact CB-CG1 4.11Å; L47-I58 HydrophobicContact CD1-CG1 3.94Å; L47-M61 HydrophobicContact CD1-CB 4.39Å; L47-M61 HydrophobicContact CD1-CG 4.31Å; L47-M61 HydrophobicContact CD1-SD 4.38Å; L47-M61 HydrophobicContact CD2-SD 3.98Å; L47-T62 WeakPolarHBondContact CD1-OG1 3.4Å; L47-L65 HydrophobicContact CD1-CD1 4.39Å; L47-L65 HydrophobicContact CD2-CD1 3.93Å; L47-V72 HydrophobicContact CD1-CG1 3.69Å; L47-V72 HydrophobicContact CG-CG1 3.71Å; L47-I73 PolarHBondContact N-O 3.11Å; L47-V75 PolarHBondContact O-N 3.48Å; L47-V121 WeakPolarHBondContact CA-O 3.38Å; L47-V121 HydrophobicContact CD2-CB 3.64Å; L47-V121 HydrophobicContact CD2-CG1 4.37Å; L47-V121 HydrophobicContact CD2-CG2 3.89Å
48V98.8Very high94.5Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-124.5115.7179.3-168.70000110.3I46 V75 V121 G122 F123 V129I46-V48 HydrophobicContact CG2-CG2 4.37Å; V48-V75 HydrophobicContact CG1-CB 4.47Å; V48-V75 HydrophobicContact CG2-CB 4.15Å; V48-V75 HydrophobicContact CG2-CG2 3.98Å; V48-V121 PolarHBondContact N-O 2.85Å; V48-G122 WeakPolarHBondContact O-CA 3.46Å; V48-F123 PolarHBondContact O-N 3.04Å; V48-V129 HydrophobicContact CG1-CB 3.84Å; V48-V129 HydrophobicContact CG1-CG1 3.72Å; V48-V129 HydrophobicContact CG1-CG2 4.12Å; V48-V129 HydrophobicContact CG2-CG1 4.34Å
49H97.5Very high94.7Very high0 Ų039.8 Ų39.80%020%0.2CC..  trans-77.1171.5178.169.786.4000113.9P55 W57 I58 V75 D76 W77 S81 F123 G126H49-P55 HydrophobicContact CB-CG 3.51Å; H49-W57 HydrophobicContact CB-CZ2 4.32Å; H49-I58 HydrophobicContact CB-CD1 4.36Å; H49-V75 PolarHBondContact CD2-O 3.5Å; H49-V75 VanDerWaalsContact CD2-O 3.23Å; H49-D76 IonicContact NE2-OD1 3.72Å; H49-D76 PolarHBondContact NE2-OD1 2.82Å; H49-W77 AromaticContact CD2-CD1 3.68Å; H49-W77 AromaticContact CD2-NE1 3.94Å; H49-W77 AromaticContact CE1-CD1 3.43Å; H49-W77 VanDerWaalsContact CE1-CD1 3.43Å; H49-W77 AromaticContact CE1-NE1 3.52Å; H49-W77 AromaticContact CG-NE1 3.79Å; H49-W77 AromaticContact ND1-CD1 3.86Å; H49-W77 AromaticContact ND1-NE1 3.51Å; H49-W77 AromaticContact NE2-CD1 3.27Å; H49-W77 VanDerWaalsContact NE2-CD1 3.27Å; H49-W77 PolarHBondContact NE2-N 3.01Å; H49-W77 AromaticContact NE2-NE1 3.76Å; H49-W77 PolarHBondContact O-NE1 3.36Å; H49-S81 PolarHBondContact CE1-OG 3Å; H49-S81 VanDerWaalsContact CE1-OG 3.3Å; H49-F123 CarbonylContact C-O 3.59Å; H49-G126 WeakPolarHBondContact O-CA 3.27Å; H49-G126 PolarHBondContact O-N 3.47Å
50G95Very high94.7Very high2 Ų238.6 Ų38.62%0.02120%0.196CC..  trans-93.1-158.5-179.600000114.7F123G50-F123 VanDerWaalsContact CA-O 3.26Å; G50-F123 WeakPolarHBondContact CA-O 3.41Å; G50-F123 PolarHBondContact N-O 2.81Å
51F92.3Very high94.8Very high19 Ų1936.8 Ų36.88%0.08319%0.185CC..SBendtrans-62.1141.4170-177.3-107000111.1S81 P83 Y86 A89 L125 W221F51-S81 WeakPolarHBondContact CD2-O 3.33Å; F51-S81 WeakPolarHBondContact CE2-O 3.4Å; F51-P83 HydrophobicContact CE1-CB 4.01Å; F51-P83 HydrophobicContact CE1-CG 3.81Å; F51-P83 VanDerWaalsContact CZ-CA 3.48Å; F51-P83 HydrophobicContact CZ-CB 3.81Å; F51-P83 HydrophobicContact CZ-CG 3.98Å; F51-Y86 HydrophobicContact CB-CD2 4.05Å; F51-Y86 HydrophobicContact CB-CE2 4.24Å; F51-Y86 HydrophobicContact CD1-CD2 4.19Å; F51-Y86 AromaticContact CD2-CD2 3.92Å; F51-Y86 HydrophobicContact CD2-CD2 3.92Å; F51-Y86 VanDerWaalsContact CE2-CA 3.46Å; F51-Y86 HydrophobicContact CE2-CD2 4.38Å; F51-Y86 AromaticContact CG-CD2 3.78Å; F51-Y86 HydrophobicContact CG-CD2 3.78Å; F51-Y86 HydrophobicContact CG-CE2 4.46Å; F51-A89 HydrophobicContact CD2-CB 3.48Å; F51-A89 VanDerWaalsContact CD2-CB 3.48Å; F51-A89 HydrophobicContact CE2-CB 3.85Å; F51-L125 HydrophobicContact CB-CD1 3.79Å; F51-L125 HydrophobicContact CB-CG 4.35Å; F51-L125 HydrophobicContact CD2-CD1 4.44Å; F51-W221 AromaticContact CD1-CE3 3.59Å; F51-W221 HydrophobicContact CD1-CE3 3.59Å; F51-W221 HydrophobicContact CD1-CH2 4.25Å; F51-W221 AromaticContact CD1-CZ3 3.38Å; F51-W221 HydrophobicContact CD1-CZ3 3.38Å; F51-W221 AromaticContact CE1-CD2 3.88Å; F51-W221 HydrophobicContact CE1-CD2 3.88Å; F51-W221 AromaticContact CE1-CE3 3.17Å; F51-W221 HydrophobicContact CE1-CE3 3.17Å; F51-W221 HydrophobicContact CE1-CH2 4.49Å; F51-W221 AromaticContact CE1-CZ3 3.52Å; F51-W221 HydrophobicContact CE1-CZ3 3.52Å; F51-W221 HydrophobicContact CG-CZ3 4.39Å; F51-W221 HydrophobicContact CZ-CD2 4.43Å; F51-W221 HydrophobicContact CZ-CE3 4.11Å
52G88.1Confident94.9Very high5 Ų532.2 Ų32.25%0.05215%0.153CC..SBendtrans120.7-161.5178.800000113.3S81 R82G52-S81 PolarHBondContact N-O 2.91Å; G52-S81 CarbonylContact O-C 3.57Å; G52-S81 PolarHBondContact O-OG 3.14Å; G52-R82 WeakPolarHBondContact O-CA 3.27Å
53H87.8Confident94.9Very high123 Ų12334.8 Ų34.857%0.56917%0.168SC*.SBendtrans-85176.8170.5-61.5-79.2000110.8P55 T78H53-P55 WeakPolarHBondContact O-CD 3.48Å; H53-P55 VanDerWaalsContact O-N 3.15Å; H53-T78 HydrophobicContact CB-CG2 4.49Å
54F89.2Confident94.9Very high78 Ų7832.9 Ų32.934%0.34216%0.159SC..SBendtrans-50.2118.1172.3-166.8-95000111I58 L59 I74 D76 T78F54-I58 HydrophobicContact CD1-CG2 3.96Å; F54-I58 HydrophobicContact CE1-CG2 3.2Å; F54-I58 HydrophobicContact CE2-CG2 3.98Å; F54-I58 HydrophobicContact CZ-CG2 3.22Å; F54-L59 HydrophobicContact CE1-CD1 4.44Å; F54-L59 HydrophobicContact CE1-CD2 4.39Å; F54-L59 HydrophobicContact CE1-CG 4.12Å; F54-L59 HydrophobicContact CZ-CD2 4.35Å; F54-I74 HydrophobicContact CE2-CG2 3.83Å; F54-I74 HydrophobicContact CZ-CD1 4.29Å; F54-I74 HydrophobicContact CZ-CG2 4.29Å; F54-D76 HydrophobicContact CD2-CB 4.18Å; F54-D76 HydrophobicContact CE2-CB 4.26Å; F54-T78 PolarHBondContact N-OG1 3.22Å
55P89.1Confident94.9Very high22 Ų2232.8 Ų32.814%0.14316%0.158CC..  trans-86.2148.3-165.235.9-40000112.5H49 H53 W57 I58H49-P55 HydrophobicContact CB-CG 3.51Å; H53-P55 WeakPolarHBondContact O-CD 3.48Å; H53-P55 VanDerWaalsContact O-N 3.15Å; P55-W57 HydrophobicContact CB-CG 4.47Å; P55-W57 HydrophobicContact CG-CZ2 4.16Å; P55-W57 PolarHBondContact O-N 2.96Å; P55-W57 VanDerWaalsContact O-N 3.16Å; P55-I58 HydrophobicContact CG-CB 4.08Å; P55-I58 HydrophobicContact CG-CD1 4.43Å; P55-I58 HydrophobicContact CG-CG2 4.34Å; P55-I58 VanDerWaalsContact O-CG2 3.29Å; P55-I58 WeakPolarHBondContact O-CG2 3.46Å; P55-I58 PolarHBondContact O-N 3.4Å
56K89.7Confident94.8Very high153 Ų15334.5 Ų34.567%0.66517%0.167SC*.THydrogen-bonded Turntrans-60.4-26.8-178.1-69.5179.7172.3174.90114.9P60 E229K56-P60 WeakPolarHBondContact O-CD 3.43Å; K56-E229 WeakPolarHBondContact CE-OE1 3.4Å; K56-E229 IonicContact NZ-OE1 3.8Å; K56-E229 PolarHBondContact NZ-OE1 3.49Å; K56-E229 IonicContact NZ-OE2 3.02Å; K56-E229 PolarHBondContact NZ-OE2 3.29Å
57W92.8Very high94.6Very high28 Ų2841.1 Ų41.111%0.10620%0.196CC..THydrogen-bonded Turntrans-77.3-19.5-175.666.2-102.3000113.9L47 H49 P55 P60 M61 F123 P239 I243L47-W57 HydrophobicContact CD1-CZ3 4.43Å; H49-W57 HydrophobicContact CB-CZ2 4.32Å; P55-W57 HydrophobicContact CB-CG 4.47Å; P55-W57 HydrophobicContact CG-CZ2 4.16Å; P55-W57 PolarHBondContact O-N 2.96Å; P55-W57 VanDerWaalsContact O-N 3.16Å; W57-P60 WeakPolarHBondContact O-CD 3.46Å; W57-M61 HydrophobicContact CE3-CB 4.02Å; W57-M61 HydrophobicContact CE3-CE 3.61Å; W57-M61 HydrophobicContact CE3-SD 3.97Å; W57-M61 HydrophobicContact CZ3-CB 4.23Å; W57-M61 HydrophobicContact CZ3-CE 3.71Å; W57-M61 HydrophobicContact CZ3-SD 3.53Å; W57-M61 VanDerWaalsContact CZ3-SD 3.53Å; W57-M61 WeakPolarHBondContact O-CB 3.47Å; W57-M61 PolarHBondContact O-N 3.16Å; W57-F123 HydrophobicContact CH2-CB 4.24Å; W57-F123 HydrophobicContact CZ2-CB 3.46Å; W57-F123 VanDerWaalsContact CZ2-CB 3.46Å; W57-F123 HydrophobicContact CZ2-CD1 4.29Å; W57-F123 HydrophobicContact CZ2-CG 4.12Å; W57-F123 AromaticContact NE1-CD1 3.43Å; W57-F123 AromaticContact NE1-CE1 3.98Å; W57-F123 AromaticContact NE1-CG 3.78Å; W57-P239 HydrophobicContact CB-CB 3.94Å; W57-P239 HydrophobicContact CB-CG 4.19Å; W57-P239 HydrophobicContact CD2-CB 3.71Å; W57-P239 HydrophobicContact CD2-CG 4.23Å; W57-P239 HydrophobicContact CE3-CB 4.01Å; W57-P239 HydrophobicContact CG-CB 3.65Å; W57-P239 HydrophobicContact CG-CG 3.82Å; W57-I243 HydrophobicContact CB-CD1 4.28Å
58I96.2Very high94.4Very high0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-72.1-37.1-165.8-155.9161.1000113.1L47 H49 F54 P55 T62 I74L47-I58 HydrophobicContact CB-CD1 4.17Å; L47-I58 HydrophobicContact CB-CG1 4.11Å; L47-I58 HydrophobicContact CD1-CG1 3.94Å; H49-I58 HydrophobicContact CB-CD1 4.36Å; F54-I58 HydrophobicContact CD1-CG2 3.96Å; F54-I58 HydrophobicContact CE1-CG2 3.2Å; F54-I58 HydrophobicContact CE2-CG2 3.98Å; F54-I58 HydrophobicContact CZ-CG2 3.22Å; P55-I58 HydrophobicContact CG-CB 4.08Å; P55-I58 HydrophobicContact CG-CD1 4.43Å; P55-I58 HydrophobicContact CG-CG2 4.34Å; P55-I58 VanDerWaalsContact O-CG2 3.29Å; P55-I58 WeakPolarHBondContact O-CG2 3.46Å; P55-I58 PolarHBondContact O-N 3.4Å; I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 2.87Å; I58-T62 PolarHBondContact O-OG1 2.88Å; I58-I74 HydrophobicContact CD1-CG1 4.41Å; I58-I74 HydrophobicContact CD1-CG2 3.59Å; I58-I74 HydrophobicContact CG1-CD1 4.11Å; I58-I74 HydrophobicContact CG1-CG1 4.25Å; I58-I74 HydrophobicContact CG1-CG2 4.29Å; I58-I74 HydrophobicContact CG2-CD1 4.44Å
59L96.7Very high94.2Very high71 Ų7146.9 Ų46.937%0.37223%0.225SC..Hα-helixtrans-71.5-48175.5-61.9178.3000111.7Y18 F54 M61 T62 E63 I74Y18-L59 HydrophobicContact CE1-CD2 4.49Å; F54-L59 HydrophobicContact CE1-CD1 4.44Å; F54-L59 HydrophobicContact CE1-CD2 4.39Å; F54-L59 HydrophobicContact CE1-CG 4.12Å; F54-L59 HydrophobicContact CZ-CD2 4.35Å; L59-M61 VanDerWaalsContact C-N 3.29Å; L59-M61 PolarHBondContact O-N 3.09Å; L59-T62 WeakPolarHBondContact O-CA 3.36Å; L59-T62 WeakPolarHBondContact O-CB 3.46Å; L59-T62 PolarHBondContact O-N 3.32Å; L59-E63 WeakPolarHBondContact O-CG 3.31Å; L59-E63 PolarHBondContact O-N 3.03Å; L59-I74 HydrophobicContact CD2-CD1 4.13Å
60P95.6Very high94.2Very high51 Ų5147.4 Ų47.433%0.33123%0.228SC..Hα-helixtrans-53.3-42.8171.5-29.635.4000113.9K56 W57 E63 E64 I243K56-P60 WeakPolarHBondContact O-CD 3.43Å; W57-P60 WeakPolarHBondContact O-CD 3.46Å; P60-E63 PolarHBondContact O-N 3.18Å; P60-E64 WeakPolarHBondContact O-CG 3.38Å; P60-E64 PolarHBondContact O-N 3.28Å; P60-E64 VanDerWaalsContact O-N 3.09Å; P60-I243 HydrophobicContact CB-CD1 4.15Å
61M97.6Very high94.4Very high0 Ų047.3 Ų47.30%023%0.227CC..Hα-helixtrans-65.8-41175.7-171.9174.6-65.600112.3L47 W57 L59 E63 E64 L65 V121 L148 P239 Y242 I243 I246L47-M61 HydrophobicContact CD1-CB 4.39Å; L47-M61 HydrophobicContact CD1-CG 4.31Å; L47-M61 HydrophobicContact CD1-SD 4.38Å; L47-M61 HydrophobicContact CD2-SD 3.98Å; W57-M61 HydrophobicContact CE3-CB 4.02Å; W57-M61 HydrophobicContact CE3-CE 3.61Å; W57-M61 HydrophobicContact CE3-SD 3.97Å; W57-M61 HydrophobicContact CZ3-CB 4.23Å; W57-M61 HydrophobicContact CZ3-CE 3.71Å; W57-M61 HydrophobicContact CZ3-SD 3.53Å; W57-M61 VanDerWaalsContact CZ3-SD 3.53Å; W57-M61 WeakPolarHBondContact O-CB 3.47Å; W57-M61 PolarHBondContact O-N 3.16Å; L59-M61 VanDerWaalsContact C-N 3.29Å; L59-M61 PolarHBondContact O-N 3.09Å; M61-E63 VanDerWaalsContact C-N 3.33Å; M61-E63 PolarHBondContact O-N 3.36Å; M61-E64 PolarHBondContact O-N 3.17Å; M61-L65 HydrophobicContact CG-CD1 3.98Å; M61-L65 HydrophobicContact CG-CG 4.44Å; M61-L65 WeakPolarHBondContact O-CB 3.44Å; M61-L65 VanDerWaalsContact O-CG 3.28Å; M61-L65 WeakPolarHBondContact O-CG 3.33Å; M61-L65 PolarHBondContact O-N 3.46Å; M61-V121 HydrophobicContact SD-CG1 4.01Å; M61-L148 HydrophobicContact CE-CD1 3.72Å; M61-L148 HydrophobicContact SD-CD1 4.49Å; M61-P239 HydrophobicContact CE-CB 4Å; M61-Y242 HydrophobicContact CE-CD1 3.89Å; M61-Y242 HydrophobicContact SD-CD1 4.17Å; M61-I243 HydrophobicContact CB-CD1 4.03Å; M61-I243 HydrophobicContact CB-CG1 3.77Å; M61-I243 HydrophobicContact CE-CD1 4.26Å; M61-I243 HydrophobicContact CE-CG1 3.76Å; M61-I243 HydrophobicContact CG-CG1 4.14Å; M61-I246 HydrophobicContact CG-CD1 4.14Å
62T98.5Very high94.7Very high2 Ų246.4 Ų46.41%0.01222%0.223CC..Hα-helixtrans-59-46.6175.4-60.60000110.4Y18 L47 I58 L59 E64 L65 L66 V72Y18-T62 HydrophobicContact CD1-CG2 3.91Å; Y18-T62 HydrophobicContact CD2-CG2 4.26Å; Y18-T62 HydrophobicContact CG-CG2 3.76Å; L47-T62 WeakPolarHBondContact CD1-OG1 3.4Å; I58-T62 WeakPolarHBondContact O-CB 3.3Å; I58-T62 PolarHBondContact O-N 2.87Å; I58-T62 PolarHBondContact O-OG1 2.88Å; L59-T62 WeakPolarHBondContact O-CA 3.36Å; L59-T62 WeakPolarHBondContact O-CB 3.46Å; L59-T62 PolarHBondContact O-N 3.32Å; T62-E64 PolarHBondContact O-N 3.08Å; T62-L65 PolarHBondContact O-N 2.91Å; T62-L66 HydrophobicContact CG2-CD1 3.83Å; T62-L66 HydrophobicContact CG2-CG 4.16Å; T62-L66 WeakPolarHBondContact O-CB 2.96Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.05Å; T62-V72 HydrophobicContact CG2-CB 4Å; T62-V72 HydrophobicContact CG2-CG1 4Å; T62-V72 HydrophobicContact CG2-CG2 4.19Å
63E97Very high95.2Very high106 Ų10646.2 Ų46.250%0.49522%0.22SC..Hα-helixtrans-58.7-47.5177.8-71.4170.3-165.400112.4L59 P60 M61 L65 L66 K67L59-E63 WeakPolarHBondContact O-CG 3.31Å; L59-E63 PolarHBondContact O-N 3.03Å; P60-E63 PolarHBondContact O-N 3.18Å; M61-E63 VanDerWaalsContact C-N 3.33Å; M61-E63 PolarHBondContact O-N 3.36Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.16Å; E63-L66 PolarHBondContact O-N 3.49Å; E63-K67 VanDerWaalsContact O-CG 3.29Å; E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 3.18Å
64E96Very high95.7Very high28 Ų2840.3 Ų40.313%0.13119%0.193CC..Hα-helixtrans-65.3-37178-64.1-51135.300112.4P60 M61 T62 K67 K68 I243 I246P60-E64 WeakPolarHBondContact O-CG 3.38Å; P60-E64 PolarHBondContact O-N 3.28Å; P60-E64 VanDerWaalsContact O-N 3.09Å; M61-E64 PolarHBondContact O-N 3.17Å; T62-E64 PolarHBondContact O-N 3.08Å; E64-K67 PolarHBondContact O-N 2.98Å; E64-K67 IonicContact OE1-NZ 3.21Å; E64-K67 PolarHBondContact OE1-NZ 2.87Å; E64-K67 IonicContact OE2-NZ 2.69Å; E64-K68 WeakPolarHBondContact O-CG 3.11Å; E64-K68 PolarHBondContact O-N 3.24Å; E64-I243 HydrophobicContact CG-CG2 3.96Å; E64-I246 HydrophobicContact CB-CB 4.32Å; E64-I246 HydrophobicContact CB-CG2 3.78Å
65L97.8Very high96.2Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-67.4-40.2174.8-71.5168.9000112.4Y45 L47 M61 T62 E63 K67 K68 N70 V72 I246 F287Y45-L65 HydrophobicContact CD1-CD1 4.11Å; Y45-L65 HydrophobicContact CD1-CD2 3.81Å; Y45-L65 HydrophobicContact CD2-CD2 4.07Å; Y45-L65 HydrophobicContact CE1-CD2 3.95Å; Y45-L65 HydrophobicContact CE2-CD2 4.21Å; Y45-L65 HydrophobicContact CG-CD1 3.94Å; Y45-L65 HydrophobicContact CG-CD2 3.9Å; Y45-L65 HydrophobicContact CG-CG 4.49Å; L47-L65 HydrophobicContact CD1-CD1 4.39Å; L47-L65 HydrophobicContact CD2-CD1 3.93Å; M61-L65 HydrophobicContact CG-CD1 3.98Å; M61-L65 HydrophobicContact CG-CG 4.44Å; M61-L65 WeakPolarHBondContact O-CB 3.44Å; M61-L65 VanDerWaalsContact O-CG 3.28Å; M61-L65 WeakPolarHBondContact O-CG 3.33Å; M61-L65 PolarHBondContact O-N 3.46Å; T62-L65 PolarHBondContact O-N 2.91Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.16Å; L65-K67 VanDerWaalsContact C-N 3.34Å; L65-K68 CarbonylContact O-C 3.53Å; L65-K68 PolarHBondContact O-N 2.88Å; L65-N70 WeakPolarHBondContact O-CB 3.39Å; L65-N70 PolarHBondContact O-N 2.86Å; L65-N70 PolarHBondContact O-ND2 2.66Å; L65-V72 HydrophobicContact CB-CG2 3.68Å; L65-V72 HydrophobicContact CD1-CG2 4.05Å; L65-I246 HydrophobicContact CD2-CD1 3.91Å; L65-I246 HydrophobicContact CG-CD1 4.1Å; L65-F287 HydrophobicContact CD2-CE2 3.55Å; L65-F287 HydrophobicContact CD2-CZ 3.87Å
66L97.5Very high96.6Very high36 Ų3637.2 Ų37.219%0.18818%0.179CC..Hα-helixtrans-65.3-37.1176.2-69172.2000111.7P20 T62 E63 K68 D69 N70 V72P20-L66 HydrophobicContact CG-CD2 4.01Å; T62-L66 HydrophobicContact CG2-CD1 3.83Å; T62-L66 HydrophobicContact CG2-CG 4.16Å; T62-L66 WeakPolarHBondContact O-CB 2.96Å; T62-L66 WeakPolarHBondContact O-CG 3.32Å; T62-L66 PolarHBondContact O-N 3.05Å; E63-L66 PolarHBondContact O-N 3.49Å; L66-K68 PolarHBondContact O-N 2.87Å; L66-D69 PolarHBondContact O-N 2.8Å; L66-N70 WeakPolarHBondContact CD2-O 3.4Å; L66-V72 HydrophobicContact CD2-CG2 4.36Å; L66-V72 HydrophobicContact CG-CG2 4.43Å
67K95.3Very high97Very high140 Ų14030 Ų3061%0.60915%0.147SC*.Hα-helixtrans-62.6-26.8174-73170.8-167.51700112.6E63 E64 L65 D69E63-K67 VanDerWaalsContact O-CG 3.29Å; E63-K67 WeakPolarHBondContact O-CG 3.43Å; E63-K67 PolarHBondContact O-N 3.18Å; E64-K67 PolarHBondContact O-N 2.98Å; E64-K67 IonicContact OE1-NZ 3.21Å; E64-K67 PolarHBondContact OE1-NZ 2.87Å; E64-K67 IonicContact OE2-NZ 2.69Å; L65-K67 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.07Å
68K93.4Very high97.1Very high41 Ų4129.8 Ų29.818%0.17815%0.149CC..THydrogen-bonded Turntrans-88.821.9173.5-60.7-66.9177177.60113.1E64 L65 L66 N70 I246 E250E64-K68 WeakPolarHBondContact O-CG 3.11Å; E64-K68 PolarHBondContact O-N 3.24Å; L65-K68 CarbonylContact O-C 3.53Å; L65-K68 PolarHBondContact O-N 2.88Å; L66-K68 PolarHBondContact O-N 2.87Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 VanDerWaalsContact CB-ND2 3.33Å; K68-N70 WeakPolarHBondContact CB-ND2 3.13Å; K68-N70 PolarHBondContact O-N 2.83Å; K68-N70 PolarHBondContact O-ND2 2.93Å; K68-N70 VanDerWaalsContact O-ND2 3.16Å; K68-I246 VanDerWaalsContact CE-O 3.29Å; K68-I246 WeakPolarHBondContact CE-O 3.37Å; K68-I246 HydrophobicContact CG-CG2 4.03Å; K68-E250 IonicContact NZ-OE1 3.38Å; K68-E250 PolarHBondContact NZ-OE1 2.84Å; K68-E250 IonicContact NZ-OE2 2.66Å; K68-E250 PolarHBondContact NZ-OE2 3.1Å
69D95.9Very high97.1Very high80 Ų8035.2 Ų35.243%0.42817%0.173SC..THydrogen-bonded Turntrans55.131.5-179.4-156.245.9000115.5R42 L66 K67R42-D69 VanDerWaalsContact CB-O 3.29Å; R42-D69 WeakPolarHBondContact CB-O 3.5Å; R42-D69 VanDerWaalsContact CD-O 3.29Å; R42-D69 WeakPolarHBondContact CD-O 3.43Å; R42-D69 WeakPolarHBondContact CG-O 3.48Å; R42-D69 IonicContact CZ-OD1 3.71Å; R42-D69 IonicContact CZ-OD2 2.66Å; R42-D69 VanDerWaalsContact NE-CG 3.29Å; R42-D69 IonicContact NE-OD1 3.89Å; R42-D69 PolarHBondContact NE-OD1 3.07Å; R42-D69 IonicContact NE-OD2 2.79Å; R42-D69 PolarHBondContact NE-OD2 2.96Å; R42-D69 VanDerWaalsContact NE-OD2 3.13Å; R42-D69 IonicContact NH2-OD1 2.67Å; R42-D69 PolarHBondContact NH2-OD1 3.17Å; R42-D69 IonicContact NH2-OD2 3.45Å; L66-D69 PolarHBondContact O-N 2.8Å; K67-D69 PolarHBondContact O-N 3.07Å
70N97.8Very high97Very high11 Ų1132.1 Ų32.16%0.05916%0.158CC..  trans-95153.4175.5-55.6-70.6000111.8P20 E43 Y45 L65 L66 K68P20-N70 VanDerWaalsContact CD-O 3.24Å; P20-N70 WeakPolarHBondContact CD-O 3.4Å; P20-N70 VanDerWaalsContact CG-O 3.31Å; P20-N70 WeakPolarHBondContact CG-O 3.49Å; E43-N70 WeakPolarHBondContact CB-OD1 3.24Å; Y45-N70 HydrophobicContact CD2-CB 3.77Å; Y45-N70 HydrophobicContact CE2-CB 3.99Å; L65-N70 WeakPolarHBondContact O-CB 3.39Å; L65-N70 PolarHBondContact O-N 2.86Å; L65-N70 PolarHBondContact O-ND2 2.66Å; L66-N70 WeakPolarHBondContact CD2-O 3.4Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 VanDerWaalsContact CB-ND2 3.33Å; K68-N70 WeakPolarHBondContact CB-ND2 3.13Å; K68-N70 PolarHBondContact O-N 2.83Å; K68-N70 PolarHBondContact O-ND2 2.93Å; K68-N70 VanDerWaalsContact O-ND2 3.16Å
71N98.5Very high97Very high0 Ų029.7 Ų29.70%014%0.142CC..EExtended strand (participates in β ladder)trans-86.2150.1162.8-63.1-42.6000109.8L17 T19 P20 V38 N39 E43 L44 Y45 Y113L17-N71 HydrophobicContact CD1-CB 4.42Å; T19-N71 WeakPolarHBondContact CG2-OD1 3.36Å; P20-N71 WeakPolarHBondContact CD-OD1 3.18Å; V38-N71 HydrophobicContact CG2-CB 4.34Å; V38-N71 WeakPolarHBondContact CG2-ND2 3.38Å; N39-N71 PolarHBondContact O-ND2 3.35Å; E43-N71 PolarHBondContact O-N 3.04Å; L44-N71 WeakPolarHBondContact CA-O 3.4Å; L44-N71 HydrophobicContact CD1-CB 3.9Å; Y45-N71 PolarHBondContact N-O 2.92Å; N71-Y113 PolarHBondContact ND2-OH 3.05Å
72V98.7Very high96.6Very high0 Ų036.7 Ų36.70%017%0.169CC..EExtended strand (participates in β ladder)trans-132.5128.7-178.4-175.70000110.3L17 Y18 Y45 L47 T62 L65 L66 I74L17-V72 CarbonylContact C-O 3.57Å; Y18-V72 PolarHBondContact N-O 2.77Å; Y18-V72 PolarHBondContact O-N 3.24Å; Y45-V72 CarbonylContact O-C 3.56Å; Y45-V72 VanDerWaalsContact O-CA 3.28Å; Y45-V72 WeakPolarHBondContact O-CA 3.25Å; L47-V72 HydrophobicContact CD1-CG1 3.69Å; L47-V72 HydrophobicContact CG-CG1 3.71Å; T62-V72 HydrophobicContact CG2-CB 4Å; T62-V72 HydrophobicContact CG2-CG1 4Å; T62-V72 HydrophobicContact CG2-CG2 4.19Å; L65-V72 HydrophobicContact CB-CG2 3.68Å; L65-V72 HydrophobicContact CD1-CG2 4.05Å; L66-V72 HydrophobicContact CD2-CG2 4.36Å; L66-V72 HydrophobicContact CG-CG2 4.43Å; V72-I74 HydrophobicContact CG1-CG1 4.45Å
73I98.6Very high96Very high0 Ų038.6 Ų38.60%018%0.181CC..EExtended strand (participates in β ladder)trans-105.8123.9166-70.4168.1000108.9W16 L17 L28 L44 Y45 I46 L47 L103 L107W16-I73 CarbonylContact O-C 3.53Å; W16-I73 VanDerWaalsContact O-CA 3.28Å; W16-I73 WeakPolarHBondContact O-CA 3.3Å; L17-I73 HydrophobicContact CB-CG1 4.36Å; L17-I73 HydrophobicContact CD1-CD1 4.43Å; L17-I73 HydrophobicContact CD1-CG1 3.78Å; L28-I73 HydrophobicContact CD1-CD1 3.74Å; L28-I73 HydrophobicContact CD1-CG1 4.02Å; L28-I73 HydrophobicContact CD1-CG2 4.41Å; L44-I73 HydrophobicContact CD1-CD1 3.99Å; L44-I73 HydrophobicContact CD1-CG1 3.96Å; L44-I73 HydrophobicContact CD2-CD1 4.03Å; Y45-I73 PolarHBondContact O-N 3.31Å; I46-I73 CarbonylContact C-O 3.26Å; I46-I73 WeakPolarHBondContact CA-O 3.47Å; I46-I73 HydrophobicContact CG1-CB 4.36Å; I46-I73 HydrophobicContact CG2-CG2 4.46Å; L47-I73 PolarHBondContact N-O 3.11Å; I73-L103 HydrophobicContact CD1-CD2 4.4Å; I73-L103 HydrophobicContact CG2-CD2 4.12Å; I73-L107 HydrophobicContact CD1-CD1 3.79Å; I73-L107 HydrophobicContact CD1-CD2 4.5Å
74I98.7Very high95.3Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-92127.6169.3-62.7-179.8000109.2F15 W16 Y18 F54 I58 L59 V72F15-I74 WeakPolarHBondContact CA-O 3.44Å; W16-I74 HydrophobicContact CB-CB 4.47Å; W16-I74 PolarHBondContact N-O 2.98Å; W16-I74 PolarHBondContact O-N 3.23Å; Y18-I74 HydrophobicContact CD2-CD1 4.07Å; Y18-I74 HydrophobicContact CD2-CG1 4.15Å; Y18-I74 HydrophobicContact CE2-CB 4.32Å; Y18-I74 HydrophobicContact CE2-CD1 3.42Å; Y18-I74 VanDerWaalsContact CE2-CD1 3.42Å; Y18-I74 HydrophobicContact CE2-CG1 3.85Å; F54-I74 HydrophobicContact CE2-CG2 3.83Å; F54-I74 HydrophobicContact CZ-CD1 4.29Å; F54-I74 HydrophobicContact CZ-CG2 4.29Å; I58-I74 HydrophobicContact CD1-CG1 4.41Å; I58-I74 HydrophobicContact CD1-CG2 3.59Å; I58-I74 HydrophobicContact CG1-CD1 4.11Å; I58-I74 HydrophobicContact CG1-CG1 4.25Å; I58-I74 HydrophobicContact CG1-CG2 4.29Å; I58-I74 HydrophobicContact CG2-CD1 4.44Å; L59-I74 HydrophobicContact CD2-CD1 4.13Å; V72-I74 HydrophobicContact CG1-CG1 4.45Å
75V98.5Very high95Very high0 Ų039.3 Ų39.30%019%0.193CC..EExtended strand (participates in β ladder)trans-96.298.2170-175.50000108.4F15 I46 L47 V48 H49 I96 V100F15-V75 HydrophobicContact CD1-CB 4.45Å; F15-V75 HydrophobicContact CD1-CG1 4.26Å; F15-V75 HydrophobicContact CD1-CG2 3.98Å; F15-V75 HydrophobicContact CE1-CB 4.43Å; F15-V75 HydrophobicContact CE1-CG1 3.82Å; F15-V75 HydrophobicContact CE1-CG2 4.02Å; I46-V75 HydrophobicContact CG2-CG2 3.62Å; L47-V75 PolarHBondContact O-N 3.48Å; V48-V75 HydrophobicContact CG1-CB 4.47Å; V48-V75 HydrophobicContact CG2-CB 4.15Å; V48-V75 HydrophobicContact CG2-CG2 3.98Å; H49-V75 PolarHBondContact CD2-O 3.5Å; H49-V75 VanDerWaalsContact CD2-O 3.23Å; V75-I96 HydrophobicContact CG1-CG2 4.03Å; V75-V100 HydrophobicContact CG1-CG2 4.08Å; V75-V100 HydrophobicContact CG2-CG2 3.96Å
76D97.9Very high94.6Very high35 Ų3539.9 Ų39.919%0.18720%0.196CC..EExtended strand (participates in β ladder)trans-91.7107.1173.9-1805000109.7P13 T14 H49 F54 T78P13-D76 CarbonylContact C-O 3.58Å; P13-D76 VanDerWaalsContact CA-O 3.27Å; P13-D76 WeakPolarHBondContact CA-O 3.21Å; T14-D76 PolarHBondContact N-O 3.13Å; T14-D76 PolarHBondContact O-N 2.94Å; H49-D76 IonicContact NE2-OD1 3.72Å; H49-D76 PolarHBondContact NE2-OD1 2.82Å; F54-D76 HydrophobicContact CD2-CB 4.18Å; F54-D76 HydrophobicContact CE2-CB 4.26Å; D76-T78 WeakPolarHBondContact OD1-CB 3.35Å; D76-T78 PolarHBondContact OD1-N 3.38Å; D76-T78 PolarHBondContact OD1-OG1 3Å
77W97.8Very high94.3Very high0 Ų043.8 Ų43.80%021%0.209CC..  trans-116.628.5177.267.3-65.8000111.2P13 H49 K79 G80 S81 N92 I96 L125 V129P13-W77 HydrophobicContact CB-CB 4.03Å; H49-W77 AromaticContact CD2-CD1 3.68Å; H49-W77 AromaticContact CD2-NE1 3.94Å; H49-W77 AromaticContact CE1-CD1 3.43Å; H49-W77 VanDerWaalsContact CE1-CD1 3.43Å; H49-W77 AromaticContact CE1-NE1 3.52Å; H49-W77 AromaticContact CG-NE1 3.79Å; H49-W77 AromaticContact ND1-CD1 3.86Å; H49-W77 AromaticContact ND1-NE1 3.51Å; H49-W77 AromaticContact NE2-CD1 3.27Å; H49-W77 VanDerWaalsContact NE2-CD1 3.27Å; H49-W77 PolarHBondContact NE2-N 3.01Å; H49-W77 AromaticContact NE2-NE1 3.76Å; H49-W77 PolarHBondContact O-NE1 3.36Å; W77-K79 PolarHBondContact O-N 3.33Å; W77-K79 VanDerWaalsContact O-N 3.16Å; W77-G80 PolarHBondContact O-N 2.91Å; W77-S81 PolarHBondContact O-N 3.01Å; W77-S81 PolarHBondContact O-OG 3.2Å; W77-N92 HydrophobicContact CZ3-CB 4.15Å; W77-I96 HydrophobicContact CB-CD1 3.89Å; W77-I96 HydrophobicContact CB-CG1 4Å; W77-I96 HydrophobicContact CB-CG2 4.47Å; W77-I96 HydrophobicContact CD2-CG1 3.95Å; W77-I96 HydrophobicContact CE3-CG1 3.67Å; W77-I96 HydrophobicContact CG-CG1 4.12Å; W77-I96 HydrophobicContact CG-CG2 4.33Å; W77-I96 HydrophobicContact CZ3-CG1 4.43Å; W77-L125 HydrophobicContact CH2-CB 4.01Å; W77-L125 HydrophobicContact CH2-CD1 3.85Å; W77-L125 HydrophobicContact CZ2-CB 3.95Å; W77-L125 HydrophobicContact CZ2-CD1 4.44Å; W77-V129 HydrophobicContact CZ2-CG2 4.49Å
78T95.9Very high94.3Very high24 Ų2438.5 Ų38.515%0.14719%0.186CC..Hα-helixtrans-48.8-41.9-179-67.50000112.6H53 F54 D76 G80 S81 R82H53-T78 HydrophobicContact CB-CG2 4.49Å; F54-T78 PolarHBondContact N-OG1 3.22Å; D76-T78 WeakPolarHBondContact OD1-CB 3.35Å; D76-T78 PolarHBondContact OD1-N 3.38Å; D76-T78 PolarHBondContact OD1-OG1 3Å; T78-G80 VanDerWaalsContact C-N 3.25Å; T78-G80 PolarHBondContact O-N 3.08Å; T78-S81 VanDerWaalsContact CA-OG 3.24Å; T78-S81 WeakPolarHBondContact CA-OG 2.9Å; T78-S81 PolarHBondContact O-N 2.6Å; T78-S81 PolarHBondContact O-OG 3.04Å; T78-R82 HydrophobicContact CG2-CB 4.48Å; T78-R82 VanDerWaalsContact O-CB 3.25Å; T78-R82 WeakPolarHBondContact O-CB 3.28Å; T78-R82 WeakPolarHBondContact O-CG 3.46Å; T78-R82 PolarHBondContact O-N 3.2Å
79K95.4Very high94.4Very high115 Ų11536.6 Ų36.650%0.518%0.178SC..Hα-helixtrans-58.7-34.8179.6-78178.6-176.8-1790113.2I11 D12 W77I11-K79 WeakPolarHBondContact O-CB 3.19Å; D12-K79 HydrophobicContact CB-CD 3.9Å; D12-K79 IonicContact OD2-NZ 2.58Å; D12-K79 PolarHBondContact OD2-NZ 3.04Å; W77-K79 PolarHBondContact O-N 3.33Å; W77-K79 VanDerWaalsContact O-N 3.16Å
80G95.6Very high94.4Very high5 Ų533 Ų335%0.05216%0.16CC..Hα-helixtrans-96.6-6.8177.100000115.6W77 T78 A89 N92W77-G80 PolarHBondContact O-N 2.91Å; T78-G80 VanDerWaalsContact C-N 3.25Å; T78-G80 PolarHBondContact O-N 3.08Å; G80-A89 WeakPolarHBondContact O-CA 3.44Å; G80-N92 PolarHBondContact O-ND2 2.82Å
81S94.2Very high94.3Very high0 Ų032.8 Ų32.80%016%0.159CC..Hα-helixtrans-115.1-10.1-178.249.90000114.3H49 F51 G52 W77 T78H49-S81 PolarHBondContact CE1-OG 3Å; H49-S81 VanDerWaalsContact CE1-OG 3.3Å; F51-S81 WeakPolarHBondContact CD2-O 3.33Å; F51-S81 WeakPolarHBondContact CE2-O 3.4Å; G52-S81 PolarHBondContact N-O 2.91Å; G52-S81 CarbonylContact O-C 3.57Å; G52-S81 PolarHBondContact O-OG 3.14Å; W77-S81 PolarHBondContact O-N 3.01Å; W77-S81 PolarHBondContact O-OG 3.2Å; T78-S81 VanDerWaalsContact CA-OG 3.24Å; T78-S81 WeakPolarHBondContact CA-OG 2.9Å; T78-S81 PolarHBondContact O-N 2.6Å; T78-S81 PolarHBondContact O-OG 3.04Å
82R89Confident94.3Very high147 Ų14732.8 Ų32.856%0.55516%0.159SC*.  trans-65.4152.2-176.664.2-178.7178.9170.22.3113.4G52 T78G52-R82 WeakPolarHBondContact O-CA 3.27Å; T78-R82 HydrophobicContact CG2-CB 4.48Å; T78-R82 VanDerWaalsContact O-CB 3.25Å; T78-R82 WeakPolarHBondContact O-CB 3.28Å; T78-R82 WeakPolarHBondContact O-CG 3.46Å; T78-R82 PolarHBondContact O-N 3.2Å
83P85.7Confident94.3Very high43 Ų4332.8 Ų32.828%0.27916%0.159SC..SBendtrans-64.1162.2176.7-16.632.1000113.2F51 W221F51-P83 HydrophobicContact CE1-CB 4.01Å; F51-P83 HydrophobicContact CE1-CG 3.81Å; F51-P83 VanDerWaalsContact CZ-CA 3.48Å; F51-P83 HydrophobicContact CZ-CB 3.81Å; F51-P83 HydrophobicContact CZ-CG 3.98Å; P83-W221 WeakPolarHBondContact CB-O 3.41Å
84P84.1Confident94.2Very high72 Ų7238 Ų3847%0.46818%0.178SC..SBendcis-92.7-8.87.535-35.6000115Y86 F222P84-Y86 PolarHBondContact O-N 3.3Å; P84-F222 HydrophobicContact CB-CD1 4.22Å; P84-F222 HydrophobicContact CB-CE1 3.84Å; P84-F222 HydrophobicContact CB-CZ 4.22Å; P84-F222 HydrophobicContact CG-CE1 4.3Å
85N88.8Confident94.2Very high76 Ų7640.2 Ų40.241%0.40619%0.19SC..  trans-88.382-165.2-166.2-19.4000113.6Y87 Q88 A89N85-Y87 VanDerWaalsContact C-N 3.32Å; N85-Y87 PolarHBondContact O-N 3.13Å; N85-Y87 PolarHBondContact OD1-N 3.25Å; N85-Q88 HydrophobicContact CB-CB 4Å; N85-Q88 VanDerWaalsContact CG-CB 3.42Å; N85-Q88 PolarHBondContact O-N 2.75Å; N85-Q88 WeakPolarHBondContact OD1-CB 3.4Å; N85-Q88 PolarHBondContact OD1-N 3.33Å; N85-A89 PolarHBondContact O-N 3.31Å; N85-A89 VanDerWaalsContact O-N 3.11Å
86Y88.7Confident94.2Very high13 Ų1340.2 Ų40.25%0.05119%0.19CC..Hα-helixtrans-57.8-39.7175.3-179.7-94.2000113.2F51 P84 Q88 A89 A90 L125 P153 L154 W221F51-Y86 HydrophobicContact CB-CD2 4.05Å; F51-Y86 HydrophobicContact CB-CE2 4.24Å; F51-Y86 HydrophobicContact CD1-CD2 4.19Å; F51-Y86 AromaticContact CD2-CD2 3.92Å; F51-Y86 HydrophobicContact CD2-CD2 3.92Å; F51-Y86 VanDerWaalsContact CE2-CA 3.46Å; F51-Y86 HydrophobicContact CE2-CD2 4.38Å; F51-Y86 AromaticContact CG-CD2 3.78Å; F51-Y86 HydrophobicContact CG-CD2 3.78Å; F51-Y86 HydrophobicContact CG-CE2 4.46Å; P84-Y86 PolarHBondContact O-N 3.3Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 3.5Å; Y86-A89 PolarHBondContact O-N 3.17Å; Y86-A90 HydrophobicContact CE1-CB 4.22Å; Y86-A90 WeakPolarHBondContact O-CB 3.39Å; Y86-A90 PolarHBondContact O-N 2.91Å; Y86-L125 HydrophobicContact CD2-CD1 4.45Å; Y86-L125 HydrophobicContact CE2-CD1 4.02Å; Y86-L125 HydrophobicContact CE2-CD2 4.04Å; Y86-L125 HydrophobicContact CE2-CG 4.07Å; Y86-P153 HydrophobicContact CE1-CB 3.82Å; Y86-P153 WeakPolarHBondContact CE1-O 3.4Å; Y86-P153 PolarHBondContact OH-O 2.7Å; Y86-L154 HydrophobicContact CD1-CD1 3.92Å; Y86-L154 HydrophobicContact CE1-CD1 3.73Å; Y86-L154 HydrophobicContact CE1-CG 4.01Å; Y86-W221 AromaticContact CD2-CH2 3.67Å; Y86-W221 HydrophobicContact CD2-CH2 3.67Å; Y86-W221 AromaticContact CD2-CZ2 3.86Å; Y86-W221 HydrophobicContact CD2-CZ2 3.86Å; Y86-W221 HydrophobicContact CD2-CZ3 4.28Å; Y86-W221 HydrophobicContact CE2-CH2 4.12Å; Y86-W221 HydrophobicContact CE2-CZ2 4.47Å; Y86-W221 HydrophobicContact CG-CH2 4.19Å; Y86-W221 AromaticContact CG-CZ2 3.89Å; Y86-W221 HydrophobicContact CG-CZ2 3.89Å
87Y92.1Very high94.2Very high118 Ų11838.6 Ų38.646%0.46318%0.181SC..Hα-helixtrans-60-40.8178.6-65.6-87.6000112.1N85 S91 L154N85-Y87 VanDerWaalsContact C-N 3.32Å; N85-Y87 PolarHBondContact O-N 3.13Å; N85-Y87 PolarHBondContact OD1-N 3.25Å; Y87-S91 PolarHBondContact O-N 2.74Å; Y87-S91 VanDerWaalsContact O-N 3.08Å; Y87-L154 HydrophobicContact CD1-CD1 3.61Å; Y87-L154 HydrophobicContact CD1-CD2 3.98Å; Y87-L154 HydrophobicContact CD1-CG 4.38Å; Y87-L154 HydrophobicContact CE1-CD1 4.16Å; Y87-L154 HydrophobicContact CE1-CD2 3.81Å; Y87-L154 HydrophobicContact CE1-CG 4.48Å; Y87-L154 HydrophobicContact CG-CD1 4.28Å
88Q95.1Very high94.2Very high29 Ų2940.6 Ų40.614%0.13620%0.195CC..Hα-helixtrans-67.8-45.7176.2-174.863.774.600111.3V3 L4 Q6 N85 Y86 A90 S91 N92V3-Q88 HydrophobicContact CG1-CB 4.32Å; L4-Q88 PolarHBondContact O-NE2 3.35Å; Q6-Q88 HydrophobicContact CG-CG 4.14Å; N85-Q88 HydrophobicContact CB-CB 4Å; N85-Q88 VanDerWaalsContact CG-CB 3.42Å; N85-Q88 PolarHBondContact O-N 2.75Å; N85-Q88 WeakPolarHBondContact OD1-CB 3.4Å; N85-Q88 PolarHBondContact OD1-N 3.33Å; Y86-Q88 VanDerWaalsContact C-N 3.29Å; Y86-Q88 PolarHBondContact O-N 3.5Å; Q88-A90 PolarHBondContact O-N 2.96Å; Q88-S91 WeakPolarHBondContact O-CB 3.43Å; Q88-S91 PolarHBondContact O-N 3.04Å; Q88-S91 VanDerWaalsContact O-N 3.13Å; Q88-N92 PolarHBondContact NE2-OD1 3.3Å; Q88-N92 WeakPolarHBondContact O-CB 3.27Å; Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-OD1 3.41Å
89A95.2Very high94.3Very high1 Ų140.3 Ų40.31%0.00819%0.192CC..Hα-helixtrans-60.6-44.1177.400000112.3F51 G80 N85 Y86 S91 N92 S93 L125F51-A89 HydrophobicContact CD2-CB 3.48Å; F51-A89 VanDerWaalsContact CD2-CB 3.48Å; F51-A89 HydrophobicContact CE2-CB 3.85Å; G80-A89 WeakPolarHBondContact O-CA 3.44Å; N85-A89 PolarHBondContact O-N 3.31Å; N85-A89 VanDerWaalsContact O-N 3.11Å; Y86-A89 PolarHBondContact O-N 3.17Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 2.61Å; A89-N92 PolarHBondContact O-N 3.25Å; A89-S93 PolarHBondContact O-N 3.45Å; A89-L125 HydrophobicContact CB-CD1 3.84Å
90A95.5Very high94.4Very high5 Ų534.8 Ų34.84%0.04117%0.168CC..Hα-helixtrans-60.2-37.8174.600000111.6Y86 Q88 S93 L125 L154 F155Y86-A90 HydrophobicContact CE1-CB 4.22Å; Y86-A90 WeakPolarHBondContact O-CB 3.39Å; Y86-A90 PolarHBondContact O-N 2.91Å; Q88-A90 PolarHBondContact O-N 2.96Å; A90-S93 WeakPolarHBondContact O-CB 3.28Å; A90-S93 PolarHBondContact O-OG 2.83Å; A90-L125 HydrophobicContact CB-CD2 4.06Å; A90-L154 HydrophobicContact CB-CD1 3.66Å; A90-F155 HydrophobicContact CB-CE2 3.96Å; A90-F155 HydrophobicContact CB-CZ 4.02Å
91S96.6Very high94.5Very high6 Ų634.6 Ų34.64%0.04217%0.166CC..Hα-helixtrans-69.2-44173.7-159.50000112.5V3 P5 Y87 Q88 A89 S93 R94V3-S91 WeakPolarHBondContact O-CB 3.46Å; V3-S91 PolarHBondContact O-OG 3.41Å; P5-S91 VanDerWaalsContact CD-OG 3.3Å; P5-S91 WeakPolarHBondContact CD-OG 3.37Å; P5-S91 WeakPolarHBondContact CG-O 3.1Å; P5-S91 WeakPolarHBondContact CG-OG 3.42Å; P5-S91 VanDerWaalsContact N-OG 3.14Å; Y87-S91 PolarHBondContact O-N 2.74Å; Y87-S91 VanDerWaalsContact O-N 3.08Å; Q88-S91 WeakPolarHBondContact O-CB 3.43Å; Q88-S91 PolarHBondContact O-N 3.04Å; Q88-S91 VanDerWaalsContact O-N 3.13Å; A89-S91 VanDerWaalsContact C-N 3.27Å; A89-S91 PolarHBondContact O-N 2.61Å; S91-S93 PolarHBondContact O-N 3.23Å; S91-R94 PolarHBondContact O-N 2.91Å
92N98.3Very high94.6Very high0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-58.8-30178-72-7.6000112.6Q6 I11 W77 G80 Q88 A89 R94 I95 I96Q6-N92 PolarHBondContact N-OD1 2.92Å; Q6-N92 PolarHBondContact OE1-ND2 3.02Å; I11-N92 HydrophobicContact CD1-CB 3.81Å; I11-N92 HydrophobicContact CG1-CB 4.34Å; W77-N92 HydrophobicContact CZ3-CB 4.15Å; G80-N92 PolarHBondContact O-ND2 2.82Å; Q88-N92 PolarHBondContact NE2-OD1 3.3Å; Q88-N92 WeakPolarHBondContact O-CB 3.27Å; Q88-N92 PolarHBondContact O-N 3Å; Q88-N92 PolarHBondContact O-OD1 3.41Å; A89-N92 PolarHBondContact O-N 3.25Å; N92-R94 PolarHBondContact O-N 2.89Å; N92-I95 PolarHBondContact O-N 2.81Å; N92-I96 PolarHBondContact O-N 3.05Å
93S98Very high95Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-52-30.4176.873.30000113.7A89 A90 S91 G97 Y132A89-S93 PolarHBondContact O-N 3.45Å; A90-S93 WeakPolarHBondContact O-CB 3.28Å; A90-S93 PolarHBondContact O-OG 2.83Å; S91-S93 PolarHBondContact O-N 3.23Å; S93-G97 PolarHBondContact O-N 2.81Å; S93-Y132 WeakPolarHBondContact OG-CE2 3.17Å
94R97.3Very high95.5Very high109 Ų10927.4 Ų27.441%0.41114%0.138SC..Hα-helixtrans-66.4-43.2175.2-67.6175.7-175.2141.62.9112.5S91 N92 S98 Y132S91-R94 PolarHBondContact O-N 2.91Å; N92-R94 PolarHBondContact O-N 2.89Å; R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 2.73Å; R94-Y132 HydrophobicContact CB-CE2 4.45Å; R94-Y132 HydrophobicContact CG-CD1 4.39Å; R94-Y132 HydrophobicContact CG-CD2 4.12Å; R94-Y132 HydrophobicContact CG-CE1 3.88Å; R94-Y132 HydrophobicContact CG-CE2 3.61Å; R94-Y132 HydrophobicContact CG-CG 4.49Å; R94-Y132 VanDerWaalsContact CG-CZ 3.43Å; R94-Y132 PolarHBondContact NE-OH 2.84Å
95I97.7Very high96Very high47 Ų4728.4 Ų28.424%0.24114%0.135CC..Hα-helixtrans-70.8-43178.7-63.4-60.9000109.8P5 P8 I11 N92 G97 S98 M99P5-I95 HydrophobicContact CB-CB 4.43Å; P5-I95 HydrophobicContact CB-CD1 4.19Å; P5-I95 HydrophobicContact CB-CG1 3.31Å; P5-I95 HydrophobicContact CG-CD1 4.42Å; P5-I95 HydrophobicContact CG-CG1 3.9Å; P8-I95 HydrophobicContact CG-CG2 4.1Å; I11-I95 HydrophobicContact CD1-CB 3.99Å; I11-I95 HydrophobicContact CD1-CG2 3.94Å; N92-I95 PolarHBondContact O-N 2.81Å; I95-G97 VanDerWaalsContact C-N 3.33Å; I95-G97 PolarHBondContact O-N 2.78Å; I95-S98 WeakPolarHBondContact O-CA 3.15Å; I95-S98 VanDerWaalsContact O-CB 3.3Å; I95-S98 WeakPolarHBondContact O-CB 3.11Å; I95-S98 PolarHBondContact O-N 2.82Å; I95-S98 VanDerWaalsContact O-N 3.12Å; I95-M99 HydrophobicContact CG2-CG 4.39Å; I95-M99 HydrophobicContact CG2-SD 4Å; I95-M99 WeakPolarHBondContact O-CG 3.5Å; I95-M99 PolarHBondContact O-N 2.84Å
96I98.6Very high96.3Very high0 Ų026.7 Ų26.70%013%0.126CC..Hα-helixtrans-59.8-44.2174.3-59.8-51.4000111I11 P13 V75 W77 N92 S98 M99 V100 V129I11-I96 HydrophobicContact CB-CD1 4.5Å; I11-I96 HydrophobicContact CG2-CD1 3.39Å; I11-I96 HydrophobicContact CG2-CG1 4.22Å; P13-I96 HydrophobicContact CB-CD1 3.88Å; P13-I96 HydrophobicContact CG-CD1 3.81Å; V75-I96 HydrophobicContact CG1-CG2 4.03Å; W77-I96 HydrophobicContact CB-CD1 3.89Å; W77-I96 HydrophobicContact CB-CG1 4Å; W77-I96 HydrophobicContact CB-CG2 4.47Å; W77-I96 HydrophobicContact CD2-CG1 3.95Å; W77-I96 HydrophobicContact CE3-CG1 3.67Å; W77-I96 HydrophobicContact CG-CG1 4.12Å; W77-I96 HydrophobicContact CG-CG2 4.33Å; W77-I96 HydrophobicContact CZ3-CG1 4.43Å; N92-I96 PolarHBondContact O-N 3.05Å; I96-S98 VanDerWaalsContact C-N 3.28Å; I96-S98 PolarHBondContact O-N 3.43Å; I96-M99 HydrophobicContact CD1-SD 4.26Å; I96-M99 PolarHBondContact O-N 3.25Å; I96-V100 HydrophobicContact CG2-CG2 4.17Å; I96-V100 WeakPolarHBondContact O-CG2 3.24Å; I96-V100 PolarHBondContact O-N 3.42Å; I96-V129 HydrophobicContact CB-CG1 4.13Å; I96-V129 HydrophobicContact CB-CG2 4.18Å; I96-V129 HydrophobicContact CG2-CG1 3.55Å; I96-V129 HydrophobicContact CG2-CG2 4.14Å
97G98.6Very high96.5Very high0 Ų026.1 Ų26.10%012%0.124CC..Hα-helixtrans-60.8-39176.400000112.5S93 I95 M99 A101 V129 A133S93-G97 PolarHBondContact O-N 2.81Å; I95-G97 VanDerWaalsContact C-N 3.33Å; I95-G97 PolarHBondContact O-N 2.78Å; G97-M99 VanDerWaalsContact C-N 3.35Å; G97-M99 PolarHBondContact O-N 3.03Å; G97-A101 WeakPolarHBondContact O-CB 3.16Å; G97-A101 PolarHBondContact O-N 3.1Å; G97-V129 WeakPolarHBondContact CA-O 3.42Å; G97-A133 VanDerWaalsContact O-CA 3.3Å; G97-A133 WeakPolarHBondContact O-CA 3.43Å; G97-A133 WeakPolarHBondContact O-CB 3.26Å
98S97.5Very high96.6Very high43 Ų4322.5 Ų22.530%0.30111%0.112SC..Hα-helixtrans-62.5-39.6173.5-1780000112.6R94 I95 I96 T102 K136R94-S98 WeakPolarHBondContact O-CB 3.25Å; R94-S98 PolarHBondContact O-N 2.73Å; I95-S98 WeakPolarHBondContact O-CA 3.15Å; I95-S98 VanDerWaalsContact O-CB 3.3Å; I95-S98 WeakPolarHBondContact O-CB 3.11Å; I95-S98 PolarHBondContact O-N 2.82Å; I95-S98 VanDerWaalsContact O-N 3.12Å; I96-S98 VanDerWaalsContact C-N 3.28Å; I96-S98 PolarHBondContact O-N 3.43Å; S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 2.88Å; S98-T102 VanDerWaalsContact O-OG1 3.13Å; S98-K136 PolarHBondContact O-NZ 3.06Å; S98-K136 PolarHBondContact OG-NZ 3.39Å
99M97.9Very high96.5Very high17 Ų1727.5 Ų27.58%0.08414%0.139CC..Hα-helixtrans-72.4-42.7178.2-67.3175.177.400112P8 P13 F15 F30 I95 I96 G97 A101 T102 L103P8-M99 HydrophobicContact CB-CE 4.3Å; P8-M99 HydrophobicContact CB-SD 4.14Å; P13-M99 HydrophobicContact CG-CE 3.32Å; P13-M99 HydrophobicContact CG-SD 3.71Å; F15-M99 HydrophobicContact CZ-CB 4.44Å; F30-M99 HydrophobicContact CD1-CE 3.93Å; F30-M99 HydrophobicContact CE1-CE 3.52Å; F30-M99 HydrophobicContact CE1-CG 4.48Å; F30-M99 HydrophobicContact CE2-CB 4.4Å; F30-M99 WeakPolarHBondContact CE2-O 3.3Å; F30-M99 HydrophobicContact CZ-CB 4.02Å; F30-M99 HydrophobicContact CZ-CE 4.07Å; F30-M99 HydrophobicContact CZ-CG 4.2Å; I95-M99 HydrophobicContact CG2-CG 4.39Å; I95-M99 HydrophobicContact CG2-SD 4Å; I95-M99 WeakPolarHBondContact O-CG 3.5Å; I95-M99 PolarHBondContact O-N 2.84Å; I96-M99 HydrophobicContact CD1-SD 4.26Å; I96-M99 PolarHBondContact O-N 3.25Å; G97-M99 VanDerWaalsContact C-N 3.35Å; G97-M99 PolarHBondContact O-N 3.03Å; M99-A101 VanDerWaalsContact C-N 3.32Å; M99-A101 PolarHBondContact O-N 3.48Å; M99-T102 CarbonylContact O-C 3.35Å; M99-T102 WeakPolarHBondContact O-CA 3.39Å; M99-T102 WeakPolarHBondContact O-CB 2.78Å; M99-T102 PolarHBondContact O-N 3.05Å; M99-L103 PolarHBondContact O-N 3.32Å
100V98.2Very high96.4Very high0 Ų030.5 Ų30.50%016%0.158CC..Hα-helixtrans-60.5-42174.4172.60000110.7F15 I46 V75 I96 T102 L103 V104 M120 V129 A133F15-V100 HydrophobicContact CE1-CG2 4.36Å; I46-V100 HydrophobicContact CG2-CG1 4.35Å; V75-V100 HydrophobicContact CG1-CG2 4.08Å; V75-V100 HydrophobicContact CG2-CG2 3.96Å; I96-V100 HydrophobicContact CG2-CG2 4.17Å; I96-V100 WeakPolarHBondContact O-CG2 3.24Å; I96-V100 PolarHBondContact O-N 3.42Å; V100-T102 VanDerWaalsContact C-N 3.31Å; V100-T102 PolarHBondContact O-N 2.95Å; V100-L103 WeakPolarHBondContact O-CB 3.26Å; V100-L103 PolarHBondContact O-N 2.69Å; V100-V104 WeakPolarHBondContact O-CG2 3.41Å; V100-V104 PolarHBondContact O-N 2.77Å; V100-M120 HydrophobicContact CG1-SD 3.79Å; V100-V129 HydrophobicContact CG2-CG1 4.2Å; V100-A133 HydrophobicContact CB-CB 4.15Å; V100-A133 HydrophobicContact CG1-CB 3.99Å
101A97.7Very high96.4Very high0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-62.6-36.3172.800000113G97 M99 K105 A133 K136 L137G97-A101 WeakPolarHBondContact O-CB 3.16Å; G97-A101 PolarHBondContact O-N 3.1Å; M99-A101 VanDerWaalsContact C-N 3.32Å; M99-A101 PolarHBondContact O-N 3.48Å; A101-K105 WeakPolarHBondContact O-CG 3.34Å; A101-K105 PolarHBondContact O-N 2.81Å; A101-A133 HydrophobicContact CB-CB 4.2Å; A101-K136 HydrophobicContact CB-CB 3.83Å; A101-K136 HydrophobicContact CB-CD 3.85Å; A101-K136 HydrophobicContact CB-CG 4.02Å; A101-L137 HydrophobicContact CB-CD1 4.35Å; A101-L137 HydrophobicContact CB-CD2 3.99Å; A101-L137 HydrophobicContact CB-CG 3.89Å
102T96.2Very high96.3Very high40 Ų4035.9 Ų35.925%0.24519%0.194CC..Hα-helixtrans-66.3-42.5173.4-61.10000111.1F30 S98 M99 V100 V104 K105 N106 K136F30-T102 HydrophobicContact CE2-CG2 4.1Å; F30-T102 HydrophobicContact CZ-CG2 4.09Å; S98-T102 PolarHBondContact O-N 2.92Å; S98-T102 PolarHBondContact O-OG1 2.88Å; S98-T102 VanDerWaalsContact O-OG1 3.13Å; M99-T102 CarbonylContact O-C 3.35Å; M99-T102 WeakPolarHBondContact O-CA 3.39Å; M99-T102 WeakPolarHBondContact O-CB 2.78Å; M99-T102 PolarHBondContact O-N 3.05Å; V100-T102 VanDerWaalsContact C-N 3.31Å; V100-T102 PolarHBondContact O-N 2.95Å; T102-V104 PolarHBondContact O-N 3.48Å; T102-K105 PolarHBondContact O-N 3.46Å; T102-N106 WeakPolarHBondContact O-CB 3.25Å; T102-N106 VanDerWaalsContact O-CG 3.24Å; T102-N106 PolarHBondContact O-N 3.17Å; T102-N106 PolarHBondContact O-OD1 3.42Å; T102-K136 PolarHBondContact OG1-NZ 3.19Å
103L96.3Very high96.2Very high0 Ų036.2 Ų36.20%020%0.196CC..Hα-helixtrans-57-49.1174.8-179.577.3000111F15 L28 F30 L33 I73 M99 V100 K105 N106 L107F15-L103 HydrophobicContact CD1-CD2 3.63Å; F15-L103 HydrophobicContact CE1-CD2 3.97Å; F15-L103 HydrophobicContact CG-CD2 4.32Å; L28-L103 HydrophobicContact CD1-CD1 4.26Å; F30-L103 HydrophobicContact CD2-CB 4.37Å; F30-L103 HydrophobicContact CD2-CD1 4.26Å; F30-L103 HydrophobicContact CE2-CB 4.32Å; L33-L103 HydrophobicContact CD1-CD1 3.88Å; L33-L103 HydrophobicContact CD2-CD1 3.97Å; L33-L103 HydrophobicContact CG-CD1 4.39Å; I73-L103 HydrophobicContact CD1-CD2 4.4Å; I73-L103 HydrophobicContact CG2-CD2 4.12Å; M99-L103 PolarHBondContact O-N 3.32Å; V100-L103 WeakPolarHBondContact O-CB 3.26Å; V100-L103 PolarHBondContact O-N 2.69Å; L103-K105 PolarHBondContact O-N 3.3Å; L103-N106 PolarHBondContact O-N 2.88Å; L103-L107 HydrophobicContact CG-CD1 4.24Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.4Å
104V96.4Very high96.1Very high0 Ų039.5 Ų39.50%022%0.215CC..Hα-helixtrans-58.7-48.4177.5171.80000111I46 V100 T102 N106 L107 L108 M115 I118 L137I46-V104 HydrophobicContact CD1-CG2 3.61Å; V100-V104 WeakPolarHBondContact O-CG2 3.41Å; V100-V104 PolarHBondContact O-N 2.77Å; T102-V104 PolarHBondContact O-N 3.48Å; V104-N106 VanDerWaalsContact C-N 3.25Å; V104-N106 PolarHBondContact O-N 3.31Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.2Å; V104-L107 VanDerWaalsContact O-N 3.16Å; V104-L108 HydrophobicContact CG1-CD1 4.15Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 2.76Å; V104-M115 HydrophobicContact CG1-CE 4.17Å; V104-M115 HydrophobicContact CG1-SD 3.97Å; V104-I118 HydrophobicContact CG1-CD1 3.91Å; V104-L137 HydrophobicContact CB-CD1 4.05Å; V104-L137 HydrophobicContact CB-CD2 4.23Å; V104-L137 HydrophobicContact CG1-CD1 3.91Å; V104-L137 HydrophobicContact CG1-CD2 4.09Å; V104-L137 HydrophobicContact CG2-CD1 4.25Å
105K95.2Very high96Very high93 Ų9334.9 Ų34.940%0.40420%0.199SC..Hα-helixtrans-57.9-40.2177-73179.6-177.9-168.90112.4A101 T102 L103 L108 N109 L137A101-K105 WeakPolarHBondContact O-CG 3.34Å; A101-K105 PolarHBondContact O-N 2.81Å; T102-K105 PolarHBondContact O-N 3.46Å; L103-K105 PolarHBondContact O-N 3.3Å; K105-L108 PolarHBondContact O-N 3.06Å; K105-N109 WeakPolarHBondContact O-CB 3.34Å; K105-N109 PolarHBondContact O-N 3.2Å; K105-N109 VanDerWaalsContact O-N 3.08Å; K105-N109 PolarHBondContact O-ND2 3Å; K105-L137 HydrophobicContact CD-CD2 4.49Å; K105-L137 HydrophobicContact CG-CD2 3.86Å
106N94.4Very high95.9Very high39 Ų3937.6 Ų37.621%0.20921%0.214CC..Hα-helixtrans-71.4-35.2179.8-66.7-8.6000111.7P31 L33 T102 L103 V104 N109 T110P31-N106 PolarHBondContact O-ND2 2.67Å; L33-N106 HydrophobicContact CD1-CB 3.98Å; L33-N106 HydrophobicContact CG-CB 4.27Å; T102-N106 WeakPolarHBondContact O-CB 3.25Å; T102-N106 VanDerWaalsContact O-CG 3.24Å; T102-N106 PolarHBondContact O-N 3.17Å; T102-N106 PolarHBondContact O-OD1 3.42Å; L103-N106 PolarHBondContact O-N 2.88Å; V104-N106 VanDerWaalsContact C-N 3.25Å; V104-N106 PolarHBondContact O-N 3.31Å; N106-N109 PolarHBondContact O-N 3.22Å; N106-T110 WeakPolarHBondContact O-CB 3.36Å; N106-T110 WeakPolarHBondContact O-CG2 3.36Å; N106-T110 PolarHBondContact O-N 3.25Å; N106-T110 VanDerWaalsContact O-N 3.09Å; N106-T110 PolarHBondContact O-OG1 3.19Å
107L94.4Very high95.8Very high2 Ų239.8 Ų39.81%0.0123%0.226CC..Hα-helixtrans-59.4-52.2171.4-76.3164.7000110.5L33 I36 L44 I73 L103 V104 N109 T110 T111L33-L107 HydrophobicContact CD1-CB 4.31Å; L33-L107 HydrophobicContact CD1-CD2 3.6Å; L33-L107 HydrophobicContact CD1-CG 3.5Å; I36-L107 HydrophobicContact CD1-CD2 3.66Å; L44-L107 HydrophobicContact CD2-CD1 3.75Å; I73-L107 HydrophobicContact CD1-CD1 3.79Å; I73-L107 HydrophobicContact CD1-CD2 4.5Å; L103-L107 HydrophobicContact CG-CD1 4.24Å; L103-L107 WeakPolarHBondContact O-CG 3.29Å; L103-L107 PolarHBondContact O-N 3.4Å; V104-L107 WeakPolarHBondContact O-CB 3.49Å; V104-L107 PolarHBondContact O-N 3.2Å; V104-L107 VanDerWaalsContact O-N 3.16Å; L107-N109 PolarHBondContact O-N 3.37Å; L107-T110 PolarHBondContact O-N 2.94Å; L107-T110 PolarHBondContact O-OG1 2.67Å; L107-T111 PolarHBondContact O-N 2.83Å; L107-T111 PolarHBondContact O-OG1 2.79Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å
108L93.4Very high95.7Very high42 Ų4239.8 Ų39.822%0.2223%0.226CC..Hα-helixtrans-59.9-29.5179.1-60176.4000113V104 K105 Y113 M115 I118V104-L108 HydrophobicContact CG1-CD1 4.15Å; V104-L108 HydrophobicContact CG1-CG 4.38Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 2.76Å; K105-L108 PolarHBondContact O-N 3.06Å; L108-Y113 WeakPolarHBondContact CD2-O 3.4Å; L108-M115 HydrophobicContact CD1-CE 3.69Å; L108-M115 HydrophobicContact CD1-CG 4.14Å; L108-M115 HydrophobicContact CD1-SD 3.87Å; L108-I118 HydrophobicContact CD2-CD1 4.01Å
109N92.7Very high95.8Very high133 Ų13337.8 Ų37.871%0.71121%0.211SC*.Hα-helixtrans-83.8-17.4178.3-70.4-17.3000113.8K105 N106 L107K105-N109 WeakPolarHBondContact O-CB 3.34Å; K105-N109 PolarHBondContact O-N 3.2Å; K105-N109 VanDerWaalsContact O-N 3.08Å; K105-N109 PolarHBondContact O-ND2 3Å; N106-N109 PolarHBondContact O-N 3.22Å; L107-N109 PolarHBondContact O-N 3.37Å
110T93.4Very high95.8Very high65 Ų6537 Ų3740%0.39921%0.207SC..Hα-helixtrans-115.6-11.5-173.354.20000113.4N106 L107N106-T110 WeakPolarHBondContact O-CB 3.36Å; N106-T110 WeakPolarHBondContact O-CG2 3.36Å; N106-T110 PolarHBondContact O-N 3.25Å; N106-T110 VanDerWaalsContact O-N 3.09Å; N106-T110 PolarHBondContact O-OG1 3.19Å; L107-T110 PolarHBondContact O-N 2.94Å; L107-T110 PolarHBondContact O-OG1 2.67Å
111T94.8Very high95.9Very high25 Ų2537 Ų3715%0.15321%0.207CC..SBendtrans-134171.718083.10000110.6I36 V38 L107 Y113I36-T111 HydrophobicContact CG2-CG2 3.62Å; V38-T111 HydrophobicContact CG1-CG2 3.77Å; L107-T111 PolarHBondContact O-N 2.83Å; L107-T111 PolarHBondContact O-OG1 2.79Å; L107-T111 VanDerWaalsContact O-OG1 3.13Å; T111-Y113 PolarHBondContact O-N 3.47Å; T111-Y113 WeakPolarHBondContact OG1-CB 3.45Å; T111-Y113 VanDerWaalsContact OG1-CD2 3.27Å; T111-Y113 WeakPolarHBondContact OG1-CD2 3.28Å; T111-Y113 PolarHBondContact OG1-N 3.42Å; T111-Y113 VanDerWaalsContact OG1-N 3.14Å
112S95.6Very high95.9Very high98 Ų9837 Ų3769%0.68521%0.207SC*.SBendtrans-81.513.6174.1-49.50000113.8
113Y96Very high96Very high8 Ų836 Ų363%0.03120%0.2CC..  trans-65.8145.7175.1-84.8-51.2000111.5V38 N39 T40 R42 L44 N71 L108 T111 D117V38-Y113 HydrophobicContact CG1-CE2 4.01Å; V38-Y113 HydrophobicContact CG2-CE2 4Å; N39-Y113 PolarHBondContact O-OH 3.21Å; T40-Y113 HydrophobicContact CG2-CD1 4.28Å; T40-Y113 HydrophobicContact CG2-CD2 3.86Å; T40-Y113 HydrophobicContact CG2-CE1 4.37Å; T40-Y113 HydrophobicContact CG2-CE2 3.94Å; T40-Y113 HydrophobicContact CG2-CG 4.01Å; R42-Y113 WeakPolarHBondContact O-CE1 3.37Å; R42-Y113 PolarHBondContact O-OH 2.92Å; L44-Y113 HydrophobicContact CB-CE1 4.18Å; L44-Y113 HydrophobicContact CB-CE2 4.19Å; L44-Y113 HydrophobicContact CD2-CD2 4.29Å; L44-Y113 HydrophobicContact CD2-CE2 4.07Å; N71-Y113 PolarHBondContact ND2-OH 3.05Å; L108-Y113 WeakPolarHBondContact CD2-O 3.4Å; T111-Y113 PolarHBondContact O-N 3.47Å; T111-Y113 WeakPolarHBondContact OG1-CB 3.45Å; T111-Y113 VanDerWaalsContact OG1-CD2 3.27Å; T111-Y113 WeakPolarHBondContact OG1-CD2 3.28Å; T111-Y113 PolarHBondContact OG1-N 3.42Å; T111-Y113 VanDerWaalsContact OG1-N 3.14Å; Y113-D117 HydrophobicContact CD1-CB 3.62Å; Y113-D117 HydrophobicContact CE1-CB 4.02Å
114T96Very high96.1Very high68 Ų6836.4 Ų36.442%0.41720%0.203SC..  trans-114.3169.2167.775.20000110.1N116 D117T114-N116 PolarHBondContact O-N 3.43Å; T114-N116 PolarHBondContact OG1-N 3.24Å; T114-D117 WeakPolarHBondContact CA-OD2 3.29Å; T114-D117 WeakPolarHBondContact CB-OD2 3.25Å; T114-D117 PolarHBondContact N-OD2 2.7Å; T114-D117 PolarHBondContact O-N 2.76Å; T114-D117 PolarHBondContact OG1-OD2 2.89Å
115M95.5Very high96.1Very high12 Ų1236.4 Ų36.46%0.05920%0.203CC..G310 helixtrans-62.1-24.3174.3-74.5-64.9-165.900113.6V104 L108 D117 I118 L137 P140 K141 L142 S143V104-M115 HydrophobicContact CG1-CE 4.17Å; V104-M115 HydrophobicContact CG1-SD 3.97Å; L108-M115 HydrophobicContact CD1-CE 3.69Å; L108-M115 HydrophobicContact CD1-CG 4.14Å; L108-M115 HydrophobicContact CD1-SD 3.87Å; M115-D117 PolarHBondContact O-N 3.16Å; M115-I118 PolarHBondContact O-N 2.72Å; M115-L137 HydrophobicContact CE-CB 3.88Å; M115-L137 HydrophobicContact CE-CD1 4.31Å; M115-L137 HydrophobicContact CE-CD2 3.79Å; M115-L137 HydrophobicContact CE-CG 4.17Å; M115-P140 HydrophobicContact CB-CB 4.31Å; M115-P140 HydrophobicContact CB-CG 4.41Å; M115-P140 HydrophobicContact CE-CG 4.47Å; M115-P140 WeakPolarHBondContact CE-O 3.31Å; M115-P140 HydrophobicContact CG-CB 3.85Å; M115-P140 HydrophobicContact CG-CG 3.58Å; M115-K141 WeakPolarHBondContact CB-O 3.42Å; M115-K141 WeakPolarHBondContact CG-O 3.24Å; M115-L142 HydrophobicContact SD-CD1 4.38Å; M115-S143 VanDerWaalsContact O-CB 3.25Å; M115-S143 WeakPolarHBondContact O-CB 3.4Å; M115-S143 PolarHBondContact O-N 3.32Å
116N95Very high96.3Very high104 Ų10432 Ų3256%0.55618%0.183SC*.G310 helixtrans-67.4-26.9179.5-71.4-17.5000112T114 I118 S143T114-N116 PolarHBondContact O-N 3.43Å; T114-N116 PolarHBondContact OG1-N 3.24Å; N116-I118 VanDerWaalsContact C-N 3.35Å; N116-S143 PolarHBondContact O-OG 3.11Å
117D96.3Very high96.5Very high47 Ų4730.1 Ų30.125%0.25117%0.173SC..G310 helixtrans-87.9-3.6-175.8-48.4-52.5000112.9L44 Y113 T114 M115L44-D117 PolarHBondContact N-O 3.3Å; Y113-D117 HydrophobicContact CD1-CB 3.62Å; Y113-D117 HydrophobicContact CE1-CB 4.02Å; T114-D117 WeakPolarHBondContact CA-OD2 3.29Å; T114-D117 WeakPolarHBondContact CB-OD2 3.25Å; T114-D117 PolarHBondContact N-OD2 2.7Å; T114-D117 PolarHBondContact O-N 2.76Å; T114-D117 PolarHBondContact OG1-OD2 2.89Å; M115-D117 PolarHBondContact O-N 3.16Å
118I98Very high96.7Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-112.9122.5-172-54.1176.8000110.9L44 I46 V104 L108 M115 N116 L142L44-I118 HydrophobicContact CB-CG1 4.42Å; L44-I118 HydrophobicContact CD2-CG1 4.35Å; L44-I118 WeakPolarHBondContact O-CA 3.14Å; I46-I118 HydrophobicContact CD1-CG2 3.9Å; I46-I118 HydrophobicContact CG1-CG2 4.26Å; V104-I118 HydrophobicContact CG1-CD1 3.91Å; L108-I118 HydrophobicContact CD2-CD1 4.01Å; M115-I118 PolarHBondContact O-N 2.72Å; N116-I118 VanDerWaalsContact C-N 3.35Å; I118-L142 HydrophobicContact CB-CD1 3.98Å; I118-L142 HydrophobicContact CG2-CD1 3.75Å
119T98.5Very high97Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-113.2129.2169.8-63.40000110.2L44 Y45 I46 V121 R144 V146L44-T119 PolarHBondContact O-N 3.13Å; Y45-T119 CarbonylContact C-O 3.28Å; Y45-T119 VanDerWaalsContact CA-O 3.3Å; Y45-T119 WeakPolarHBondContact CA-O 3.17Å; Y45-T119 HydrophobicContact CD1-CG2 3.84Å; Y45-T119 HydrophobicContact CE1-CG2 3.59Å; I46-T119 PolarHBondContact N-O 3.47Å; T119-V121 HydrophobicContact CG2-CG2 4.24Å; T119-R144 WeakPolarHBondContact CA-O 3.34Å; T119-R144 HydrophobicContact CG2-CB 3.92Å; T119-R144 PolarHBondContact OG1-NE 2.91Å; T119-R144 PolarHBondContact OG1-NH2 3.01Å; T119-V146 HydrophobicContact CG2-CG2 4.2Å
120M98.9Very high97.3Very high0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-97.6131.3170.2-70.3-165.2-79.800110.5I46 V100 C130 A133 L142 R144 I145 V146I46-M120 HydrophobicContact CB-CG 4.18Å; V100-M120 HydrophobicContact CG1-SD 3.79Å; M120-C130 HydrophobicContact CB-CB 4.1Å; M120-C130 HydrophobicContact CE-CB 4.43Å; M120-C130 WeakPolarHBondContact CE-O 3.5Å; M120-C130 HydrophobicContact SD-CB 4.32Å; M120-A133 HydrophobicContact CE-CB 3.77Å; M120-A133 HydrophobicContact SD-CB 3.87Å; M120-L142 HydrophobicContact CB-CD2 4.14Å; M120-L142 HydrophobicContact CE-CD1 4.1Å; M120-L142 HydrophobicContact CE-CD2 3.26Å; M120-L142 HydrophobicContact CE-CG 4.17Å; M120-L142 HydrophobicContact CG-CD1 4.35Å; M120-L142 HydrophobicContact CG-CD2 3.94Å; M120-L142 HydrophobicContact SD-CD2 4.45Å; M120-R144 PolarHBondContact N-O 3.08Å; M120-I145 HydrophobicContact CB-CG1 4.37Å; M120-I145 HydrophobicContact CE-CD1 4.28Å; M120-I145 HydrophobicContact CE-CG1 4.27Å; M120-I145 CarbonylContact O-C 3.56Å; M120-I145 WeakPolarHBondContact O-CA 3.26Å; M120-V146 PolarHBondContact O-N 3.2Å
121V98.9Very high97.5Very high0 Ų018.6 Ų18.60%011%0.11CC..EExtended strand (participates in β ladder)trans-116.9112.7175.1-171.70000108.7Y45 I46 L47 V48 M61 T119 V146 L148 Y242Y45-V121 HydrophobicContact CD1-CG2 3.88Å; I46-V121 PolarHBondContact O-N 3.21Å; L47-V121 WeakPolarHBondContact CA-O 3.38Å; L47-V121 HydrophobicContact CD2-CB 3.64Å; L47-V121 HydrophobicContact CD2-CG1 4.37Å; L47-V121 HydrophobicContact CD2-CG2 3.89Å; V48-V121 PolarHBondContact N-O 2.85Å; M61-V121 HydrophobicContact SD-CG1 4.01Å; T119-V121 HydrophobicContact CG2-CG2 4.24Å; V121-V146 CarbonylContact C-O 3.56Å; V121-V146 VanDerWaalsContact CA-O 3.32Å; V121-V146 WeakPolarHBondContact CA-O 3.35Å; V121-V146 HydrophobicContact CG1-CB 4.26Å; V121-V146 HydrophobicContact CG1-CG1 4.38Å; V121-V146 HydrophobicContact CG2-CB 4.23Å; V121-L148 HydrophobicContact CG1-CD1 3.51Å; V121-L148 HydrophobicContact CG1-CG 4Å; V121-Y242 HydrophobicContact CG1-CD1 4.47Å; V121-Y242 HydrophobicContact CG1-CE1 4.33Å; V121-Y242 HydrophobicContact CG2-CE1 4.4Å
122G98.8Very high97.7Very high0 Ų018.5 Ų18.50%011%0.107CC..EExtended strand (participates in β ladder)trans-108.1143.8178.900000111.5V48 C127 V146 L148V48-G122 WeakPolarHBondContact O-CA 3.46Å; G122-C127 VanDerWaalsContact C-SG 3.5Å; G122-C127 PolarHBondContact O-SG 3.39Å; G122-V146 PolarHBondContact N-O 3.45Å; G122-L148 WeakPolarHBondContact O-CB 3.25Å; G122-L148 WeakPolarHBondContact O-CG 3.45Å; G122-L148 PolarHBondContact O-N 3.43Å
123F98.3Very high97.9Very high19 Ų1913.9 Ų13.98%0.0837%0.074CC..EExtended strand (participates in β ladder)trans-117133.3168.7170.9-113.8000110.7V48 H49 G50 W57 L125 G126 L148 H235 P239V48-F123 PolarHBondContact O-N 3.04Å; H49-F123 CarbonylContact C-O 3.59Å; G50-F123 VanDerWaalsContact CA-O 3.26Å; G50-F123 WeakPolarHBondContact CA-O 3.41Å; G50-F123 PolarHBondContact N-O 2.81Å; W57-F123 HydrophobicContact CH2-CB 4.24Å; W57-F123 HydrophobicContact CZ2-CB 3.46Å; W57-F123 VanDerWaalsContact CZ2-CB 3.46Å; W57-F123 HydrophobicContact CZ2-CD1 4.29Å; W57-F123 HydrophobicContact CZ2-CG 4.12Å; W57-F123 AromaticContact NE1-CD1 3.43Å; W57-F123 AromaticContact NE1-CE1 3.98Å; W57-F123 AromaticContact NE1-CG 3.78Å; F123-L125 PolarHBondContact O-N 2.85Å; F123-G126 WeakPolarHBondContact O-CA 3.16Å; F123-G126 PolarHBondContact O-N 2.85Å; F123-L148 WeakPolarHBondContact CA-O 3.46Å; F123-L148 HydrophobicContact CB-CB 4.33Å; F123-L148 HydrophobicContact CD2-CB 4.11Å; F123-L148 VanDerWaalsContact CD2-O 3.23Å; F123-L148 WeakPolarHBondContact CD2-O 3.44Å; F123-H235 WeakPolarHBondContact CE2-O 3.3Å; F123-H235 AromaticContact CZ-CD2 3.54Å; F123-H235 AromaticContact CZ-NE2 3.84Å; F123-P239 HydrophobicContact CD2-CG 4.06Å; F123-P239 HydrophobicContact CE2-CG 4.15Å
124S96.9Very high98Very high9 Ų913.6 Ų13.66%0.0637%0.074CC..THydrogen-bonded Turntrans55.9-119.5175.8-171.80000112.1G126 C127 L148 D149 A151 H235S124-G126 PolarHBondContact O-N 3.35Å; S124-C127 VanDerWaalsContact O-CB 3.26Å; S124-C127 WeakPolarHBondContact O-CB 3.29Å; S124-C127 PolarHBondContact O-N 2.98Å; S124-C127 VanDerWaalsContact O-N 3.1Å; S124-L148 PolarHBondContact N-O 3.25Å; S124-D149 WeakPolarHBondContact CA-O 3.44Å; S124-D149 PolarHBondContact N-O 3.27Å; S124-A151 PolarHBondContact O-N 2.73Å; S124-H235 WeakPolarHBondContact CB-NE2 3.09Å; S124-H235 PolarHBondContact OG-NE2 2.87Å
125L97.9Very high98Very high0 Ų012.9 Ų12.90%07%0.065CC..Hα-helixtrans-56.8-30.8171.8-71.9-176.7000113.1F51 W77 Y86 A89 A90 F123 C127 H128 V129 A151 F155F51-L125 HydrophobicContact CB-CD1 3.79Å; F51-L125 HydrophobicContact CB-CG 4.35Å; F51-L125 HydrophobicContact CD2-CD1 4.44Å; W77-L125 HydrophobicContact CH2-CB 4.01Å; W77-L125 HydrophobicContact CH2-CD1 3.85Å; W77-L125 HydrophobicContact CZ2-CB 3.95Å; W77-L125 HydrophobicContact CZ2-CD1 4.44Å; Y86-L125 HydrophobicContact CD2-CD1 4.45Å; Y86-L125 HydrophobicContact CE2-CD1 4.02Å; Y86-L125 HydrophobicContact CE2-CD2 4.04Å; Y86-L125 HydrophobicContact CE2-CG 4.07Å; A89-L125 HydrophobicContact CB-CD1 3.84Å; A90-L125 HydrophobicContact CB-CD2 4.06Å; F123-L125 PolarHBondContact O-N 2.85Å; L125-C127 PolarHBondContact O-N 2.87Å; L125-H128 PolarHBondContact O-N 2.87Å; L125-V129 PolarHBondContact O-N 2.82Å; L125-V129 VanDerWaalsContact O-N 3.1Å; L125-A151 HydrophobicContact CD2-CB 3.99Å; L125-A151 HydrophobicContact CG-CB 4.48Å; L125-F155 HydrophobicContact CD2-CD2 4.37Å; L125-F155 HydrophobicContact CD2-CE2 3.33Å; L125-F155 HydrophobicContact CD2-CZ 3.73Å
126G98.7Very high98.1Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-60.2-31175.900000112.9H49 F123 S124 H128 V129 C130H49-G126 WeakPolarHBondContact O-CA 3.27Å; H49-G126 PolarHBondContact O-N 3.47Å; F123-G126 WeakPolarHBondContact O-CA 3.16Å; F123-G126 PolarHBondContact O-N 2.85Å; S124-G126 PolarHBondContact O-N 3.35Å; G126-H128 PolarHBondContact O-N 3.32Å; G126-V129 WeakPolarHBondContact O-CB 3.42Å; G126-V129 PolarHBondContact O-N 3.45Å; G126-C130 PolarHBondContact O-N 3.2Å; G126-C130 PolarHBondContact O-SG 2.77Å
127C98.9Very high98.1Very high0 Ų011.3 Ų11.30%05%0.053CC..Hα-helixtrans-58.1-40.8173-60.50000111.4G122 S124 L125 G131 A147 L148 P150 L164G122-C127 VanDerWaalsContact C-SG 3.5Å; G122-C127 PolarHBondContact O-SG 3.39Å; S124-C127 VanDerWaalsContact O-CB 3.26Å; S124-C127 WeakPolarHBondContact O-CB 3.29Å; S124-C127 PolarHBondContact O-N 2.98Å; S124-C127 VanDerWaalsContact O-N 3.1Å; L125-C127 PolarHBondContact O-N 2.87Å; C127-G131 PolarHBondContact O-N 3.05Å; C127-G131 VanDerWaalsContact O-N 3.08Å; C127-A147 HydrophobicContact CB-CB 4.01Å; C127-L148 PolarHBondContact SG-N 3.39Å; C127-L148 VanDerWaalsContact SG-N 3.36Å; C127-L148 PolarHBondContact SG-O 3.1Å; C127-P150 HydrophobicContact CB-CB 3.98Å; C127-P150 HydrophobicContact CB-CG 4.21Å; C127-L164 HydrophobicContact CB-CD2 4.31Å
128H98.8Very high97.3Very high0 Ų018.6 Ų18.60%08%0.077CC..Hα-helixtrans-76.2-34.2178.1-60-41000112.3L125 G126 C130 G131 Y132 A151 F155 L164L125-H128 PolarHBondContact O-N 2.87Å; G126-H128 PolarHBondContact O-N 3.32Å; H128-C130 VanDerWaalsContact C-N 3.33Å; H128-C130 PolarHBondContact O-N 2.9Å; H128-G131 CarbonylContact O-C 3.6Å; H128-G131 PolarHBondContact O-N 2.83Å; H128-Y132 HydrophobicContact CB-CD2 4.44Å; H128-Y132 HydrophobicContact CB-CE2 4.1Å; H128-Y132 WeakPolarHBondContact O-CD2 3.22Å; H128-Y132 PolarHBondContact O-N 3.2Å; H128-A151 PolarHBondContact NE2-O 2.94Å; H128-F155 HydrophobicContact CB-CD1 4.16Å; H128-F155 HydrophobicContact CB-CE1 3.75Å; H128-F155 HydrophobicContact CB-CZ 4.26Å; H128-F155 AromaticContact CD2-CD1 3.21Å; H128-F155 WeakPolarHBondContact CD2-CD1 3.39Å; H128-F155 AromaticContact CD2-CD2 3.39Å; H128-F155 WeakPolarHBondContact CD2-CD2 3.41Å; H128-F155 AromaticContact CD2-CE1 3.38Å; H128-F155 WeakPolarHBondContact CD2-CE1 3.22Å; H128-F155 AromaticContact CD2-CE2 3.6Å; H128-F155 AromaticContact CD2-CG 3.22Å; H128-F155 WeakPolarHBondContact CD2-CG 3.19Å; H128-F155 AromaticContact CD2-CZ 3.59Å; H128-F155 AromaticContact CE1-CG 3.93Å; H128-F155 AromaticContact CG-CD1 3.51Å; H128-F155 AromaticContact CG-CE1 3.58Å; H128-F155 AromaticContact CG-CG 3.97Å; H128-F155 VanDerWaalsContact NE2-CB 3.35Å; H128-F155 WeakPolarHBondContact NE2-CB 3.15Å; H128-F155 AromaticContact NE2-CD1 3.56Å; H128-F155 AromaticContact NE2-CD2 3.56Å; H128-F155 AromaticContact NE2-CG 3.19Å; H128-F155 WeakPolarHBondContact NE2-CG 3.41Å; H128-L164 PolarHBondContact ND1-N 3.29Å
129V98.9Very high96.7Very high0 Ų027.4 Ų27.40%012%0.118CC..Hα-helixtrans-54.9-49.7169173.30000110.6V48 W77 I96 G97 V100 L125 G126 G131 Y132 A133V48-V129 HydrophobicContact CG1-CB 3.84Å; V48-V129 HydrophobicContact CG1-CG1 3.72Å; V48-V129 HydrophobicContact CG1-CG2 4.12Å; V48-V129 HydrophobicContact CG2-CG1 4.34Å; W77-V129 HydrophobicContact CZ2-CG2 4.49Å; I96-V129 HydrophobicContact CB-CG1 4.13Å; I96-V129 HydrophobicContact CB-CG2 4.18Å; I96-V129 HydrophobicContact CG2-CG1 3.55Å; I96-V129 HydrophobicContact CG2-CG2 4.14Å; G97-V129 WeakPolarHBondContact CA-O 3.42Å; V100-V129 HydrophobicContact CG2-CG1 4.2Å; L125-V129 PolarHBondContact O-N 2.82Å; L125-V129 VanDerWaalsContact O-N 3.1Å; G126-V129 WeakPolarHBondContact O-CB 3.42Å; G126-V129 PolarHBondContact O-N 3.45Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 3.36Å; V129-Y132 PolarHBondContact O-N 3.11Å; V129-A133 PolarHBondContact O-N 3.08Å
130C98.9Very high96.1Very high0 Ų031.6 Ų31.60%015%0.146CC..Hα-helixtrans-58.9-44176.5-60.90000111.3M120 G126 H128 Y132 A133 G134 I145M120-C130 HydrophobicContact CB-CB 4.1Å; M120-C130 HydrophobicContact CE-CB 4.43Å; M120-C130 WeakPolarHBondContact CE-O 3.5Å; M120-C130 HydrophobicContact SD-CB 4.32Å; G126-C130 PolarHBondContact O-N 3.2Å; G126-C130 PolarHBondContact O-SG 2.77Å; H128-C130 VanDerWaalsContact C-N 3.33Å; H128-C130 PolarHBondContact O-N 2.9Å; C130-Y132 PolarHBondContact O-N 2.91Å; C130-A133 PolarHBondContact O-N 3.06Å; C130-G134 PolarHBondContact O-N 3.31Å; C130-I145 HydrophobicContact CB-CD1 4.33Å; C130-I145 HydrophobicContact CB-CG1 4.42Å; C130-I145 HydrophobicContact CB-CG2 3.91Å
131G98.7Very high95.8Very high0 Ų035.6 Ų35.60%016%0.163CC..Hα-helixtrans-62.5-38.7175.400000113.8C127 H128 V129 K135 D168C127-G131 PolarHBondContact O-N 3.05Å; C127-G131 VanDerWaalsContact O-N 3.08Å; H128-G131 CarbonylContact O-C 3.6Å; H128-G131 PolarHBondContact O-N 2.83Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 3.36Å; G131-K135 VanDerWaalsContact O-CG 3.28Å; G131-K135 WeakPolarHBondContact O-CG 3.21Å; G131-K135 PolarHBondContact O-N 2.96Å; G131-K135 PolarHBondContact O-NZ 3.01Å; G131-D168 WeakPolarHBondContact CA-OD2 3.38Å
132Y98.7Very high95.6Very high24 Ų2435.6 Ų35.69%0.09416%0.163CC..Hα-helixtrans-69.3-38.8175.3-70.5-53.6000112.2S93 R94 H128 V129 C130 K135 K136 F155 V162S93-Y132 WeakPolarHBondContact OG-CE2 3.17Å; R94-Y132 HydrophobicContact CB-CE2 4.45Å; R94-Y132 HydrophobicContact CG-CD1 4.39Å; R94-Y132 HydrophobicContact CG-CD2 4.12Å; R94-Y132 HydrophobicContact CG-CE1 3.88Å; R94-Y132 HydrophobicContact CG-CE2 3.61Å; R94-Y132 HydrophobicContact CG-CG 4.49Å; R94-Y132 VanDerWaalsContact CG-CZ 3.43Å; R94-Y132 PolarHBondContact NE-OH 2.84Å; H128-Y132 HydrophobicContact CB-CD2 4.44Å; H128-Y132 HydrophobicContact CB-CE2 4.1Å; H128-Y132 WeakPolarHBondContact O-CD2 3.22Å; H128-Y132 PolarHBondContact O-N 3.2Å; V129-Y132 PolarHBondContact O-N 3.11Å; C130-Y132 PolarHBondContact O-N 2.91Å; Y132-K135 HydrophobicContact CD1-CD 4.47Å; Y132-K135 PolarHBondContact O-N 3.42Å; Y132-K136 PolarHBondContact O-N 3.25Å; Y132-F155 HydrophobicContact CE2-CE1 4.44Å; Y132-V162 PolarHBondContact OH-O 3.02Å
133A98.7Very high95.4Very high0 Ų036.6 Ų36.60%017%0.17CC..Hα-helixtrans-61.6-49.7173.400000110.5G97 V100 A101 M120 V129 C130 K135 K136 L137G97-A133 VanDerWaalsContact O-CA 3.3Å; G97-A133 WeakPolarHBondContact O-CA 3.43Å; G97-A133 WeakPolarHBondContact O-CB 3.26Å; V100-A133 HydrophobicContact CB-CB 4.15Å; V100-A133 HydrophobicContact CG1-CB 3.99Å; A101-A133 HydrophobicContact CB-CB 4.2Å; M120-A133 HydrophobicContact CE-CB 3.77Å; M120-A133 HydrophobicContact SD-CB 3.87Å; V129-A133 PolarHBondContact O-N 3.08Å; C130-A133 PolarHBondContact O-N 3.06Å; A133-K135 PolarHBondContact O-N 2.94Å; A133-K136 PolarHBondContact O-N 3.48Å; A133-L137 VanDerWaalsContact O-CG 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.45Å
134G98.5Very high95.4Very high3 Ų336.3 Ų36.33%0.03117%0.168CC..Hα-helixtrans-54.4-45.6175.900000113.6C130 K136 L137 D168C130-G134 PolarHBondContact O-N 3.31Å; G134-K136 PolarHBondContact O-N 2.76Å; G134-K136 VanDerWaalsContact O-N 3.17Å; G134-L137 CarbonylContact O-C 3.53Å; G134-L137 VanDerWaalsContact O-C 3.26Å; G134-L137 WeakPolarHBondContact O-CA 3.43Å; G134-L137 PolarHBondContact O-N 3.08Å; G134-D168 WeakPolarHBondContact CA-O 3.34Å
135K97Very high95.5Very high52 Ų5235.9 Ų35.923%0.22617%0.165CC..Hα-helixtrans-58.7-30.9175.4-73.1170.7-175.9630114.2G131 Y132 A133 R138 P160 R163 D168G131-K135 VanDerWaalsContact O-CG 3.28Å; G131-K135 WeakPolarHBondContact O-CG 3.21Å; G131-K135 PolarHBondContact O-N 2.96Å; G131-K135 PolarHBondContact O-NZ 3.01Å; Y132-K135 HydrophobicContact CD1-CD 4.47Å; Y132-K135 PolarHBondContact O-N 3.42Å; A133-K135 PolarHBondContact O-N 2.94Å; K135-R138 WeakPolarHBondContact O-CG 3.4Å; K135-P160 WeakPolarHBondContact CE-O 3.44Å; K135-P160 PolarHBondContact NZ-O 2.75Å; K135-R163 PolarHBondContact NZ-O 3.05Å; K135-D168 WeakPolarHBondContact CE-OD1 3.48Å; K135-D168 VanDerWaalsContact CG-OD1 3.24Å; K135-D168 WeakPolarHBondContact CG-OD1 3.47Å; K135-D168 IonicContact NZ-OD1 3.41Å; K135-D168 PolarHBondContact NZ-OD1 3.27Å; K135-D168 IonicContact NZ-OD2 2.68Å; K135-D168 PolarHBondContact NZ-OD2 2.97Å
136K96.6Very high95.5Very high80 Ų8036 Ų3635%0.34817%0.166SC..Hα-helixtrans-85.4-24.4178.4-168.1173.1173-164.40111.8S98 A101 T102 Y132 A133 G134 R138S98-K136 PolarHBondContact O-NZ 3.06Å; S98-K136 PolarHBondContact OG-NZ 3.39Å; A101-K136 HydrophobicContact CB-CB 3.83Å; A101-K136 HydrophobicContact CB-CD 3.85Å; A101-K136 HydrophobicContact CB-CG 4.02Å; T102-K136 PolarHBondContact OG1-NZ 3.19Å; Y132-K136 PolarHBondContact O-N 3.25Å; A133-K136 PolarHBondContact O-N 3.48Å; G134-K136 PolarHBondContact O-N 2.76Å; G134-K136 VanDerWaalsContact O-N 3.17Å; K136-R138 PolarHBondContact O-N 3.1Å
137L95.6Very high95.5Very high3 Ų336 Ų362%0.01617%0.166CC..  trans-91.272.4172.6-59.4169000109.5A101 V104 K105 M115 A133 G134A101-L137 HydrophobicContact CB-CD1 4.35Å; A101-L137 HydrophobicContact CB-CD2 3.99Å; A101-L137 HydrophobicContact CB-CG 3.89Å; V104-L137 HydrophobicContact CB-CD1 4.05Å; V104-L137 HydrophobicContact CB-CD2 4.23Å; V104-L137 HydrophobicContact CG1-CD1 3.91Å; V104-L137 HydrophobicContact CG1-CD2 4.09Å; V104-L137 HydrophobicContact CG2-CD1 4.25Å; K105-L137 HydrophobicContact CD-CD2 4.49Å; K105-L137 HydrophobicContact CG-CD2 3.86Å; M115-L137 HydrophobicContact CE-CB 3.88Å; M115-L137 HydrophobicContact CE-CD1 4.31Å; M115-L137 HydrophobicContact CE-CD2 3.79Å; M115-L137 HydrophobicContact CE-CG 4.17Å; A133-L137 VanDerWaalsContact O-CG 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.32Å; A133-L137 PolarHBondContact O-N 3.45Å; G134-L137 CarbonylContact O-C 3.53Å; G134-L137 VanDerWaalsContact O-C 3.26Å; G134-L137 WeakPolarHBondContact O-CA 3.43Å; G134-L137 PolarHBondContact O-N 3.08Å
138R80.1Confident95.5Very high200 Ų20036 Ų3676%0.75517%0.166SC*.  trans-73.3-56.4-171.1-70.4-172174.9165.7-2114.1K135 K136 K141K135-R138 WeakPolarHBondContact O-CG 3.4Å; K136-R138 PolarHBondContact O-N 3.1Å; R138-K141 VanDerWaalsContact O-CG 3.25Å; R138-K141 WeakPolarHBondContact O-CG 3.19Å
139Q83.3Confident95.5Very high185 Ų18536 Ų3686%0.86417%0.166SC*.SBendtrans-145124.9-178.8-70.9-170.17.700109.2
140P87.5Confident95.5Very high89 Ų8936 Ų3658%0.57817%0.166SC*.SBendcis-60.2153.2-10.225.5-32.2000112.2M115M115-P140 HydrophobicContact CB-CB 4.31Å; M115-P140 HydrophobicContact CB-CG 4.41Å; M115-P140 HydrophobicContact CE-CG 4.47Å; M115-P140 WeakPolarHBondContact CE-O 3.31Å; M115-P140 HydrophobicContact CG-CB 3.85Å; M115-P140 HydrophobicContact CG-CG 3.58Å
141K91.9Very high95.4Very high83 Ų8336 Ų3636%0.36117%0.166SC..PPolyproline II helixtrans-77.4153.1174.3-77.6-175.4173.6-174.10109.7M115 R138 D170M115-K141 WeakPolarHBondContact CB-O 3.42Å; M115-K141 WeakPolarHBondContact CG-O 3.24Å; R138-K141 VanDerWaalsContact O-CG 3.25Å; R138-K141 WeakPolarHBondContact O-CG 3.19Å; K141-D170 VanDerWaalsContact CD-OD1 3.26Å; K141-D170 WeakPolarHBondContact CD-OD1 3.35Å
142L94.7Very high95.2Very high0 Ų036.4 Ų36.40%017%0.17CC..PPolyproline II helixtrans-62.5139.9166.3-171.289.2000110.1M115 I118 M120 R144 I145 A169 D170M115-L142 HydrophobicContact SD-CD1 4.38Å; I118-L142 HydrophobicContact CB-CD1 3.98Å; I118-L142 HydrophobicContact CG2-CD1 3.75Å; M120-L142 HydrophobicContact CB-CD2 4.14Å; M120-L142 HydrophobicContact CE-CD1 4.1Å; M120-L142 HydrophobicContact CE-CD2 3.26Å; M120-L142 HydrophobicContact CE-CG 4.17Å; M120-L142 HydrophobicContact CG-CD1 4.35Å; M120-L142 HydrophobicContact CG-CD2 3.94Å; M120-L142 HydrophobicContact SD-CD2 4.45Å; L142-R144 WeakPolarHBondContact CD2-O 3.39Å; L142-I145 HydrophobicContact CD2-CD1 4.22Å; L142-I145 HydrophobicContact CD2-CG1 3.52Å; L142-A169 HydrophobicContact CB-CB 4.26Å; L142-A169 HydrophobicContact CD2-CB 4.2Å; L142-A169 CarbonylContact O-C 3.57Å; L142-A169 VanDerWaalsContact O-CA 3.25Å; L142-A169 WeakPolarHBondContact O-CA 3.28Å; L142-A169 VanDerWaalsContact O-CB 3.26Å; L142-A169 WeakPolarHBondContact O-CB 3.46Å; L142-D170 PolarHBondContact O-N 3.39Å
143S94.3Very high94.8Very high22 Ų2236 Ų3615%0.15417%0.171CC..SBendtrans-59.5-61176.9-175.10000112.8M115 N116 D170 F171M115-S143 VanDerWaalsContact O-CB 3.25Å; M115-S143 WeakPolarHBondContact O-CB 3.4Å; M115-S143 PolarHBondContact O-N 3.32Å; N116-S143 PolarHBondContact O-OG 3.11Å; S143-D170 PolarHBondContact O-N 2.98Å; S143-F171 PolarHBondContact O-N 3.44Å
144R98.1Very high94.5Very high12 Ų1239.1 Ų39.15%0.04519%0.187CC..EExtended strand (participates in β ladder)trans-137135.1-168.9-69.4-178.6-69.2150-2.6113.5E43 Y45 T119 M120 L142 F171 L289E43-R144 IonicContact OE1-NH2 2.76Å; E43-R144 PolarHBondContact OE1-NH2 2.95Å; E43-R144 IonicContact OE2-CZ 2.91Å; E43-R144 IonicContact OE2-NH2 2.7Å; E43-R144 PolarHBondContact OE2-NH2 2.93Å; Y45-R144 PolarHBondContact OH-NH1 3.31Å; Y45-R144 PolarHBondContact OH-NH2 3.39Å; T119-R144 WeakPolarHBondContact CA-O 3.34Å; T119-R144 HydrophobicContact CG2-CB 3.92Å; T119-R144 PolarHBondContact OG1-NE 2.91Å; T119-R144 PolarHBondContact OG1-NH2 3.01Å; M120-R144 PolarHBondContact N-O 3.08Å; L142-R144 WeakPolarHBondContact CD2-O 3.39Å; R144-F171 WeakPolarHBondContact CA-O 3.36Å; R144-F171 HydrophobicContact CG-CB 4.28Å; R144-L289 VanDerWaalsContact CD-O 3.31Å; R144-L289 WeakPolarHBondContact CD-O 3.35Å
145I98.8Very high94.4Very high0 Ų039.2 Ų39.20%019%0.186CC..EExtended strand (participates in β ladder)trans-115.5129161.8-65170.8000108.8M120 C130 L142 L164 D168 A169 F171 V172 Q173M120-I145 HydrophobicContact CB-CG1 4.37Å; M120-I145 HydrophobicContact CE-CD1 4.28Å; M120-I145 HydrophobicContact CE-CG1 4.27Å; M120-I145 CarbonylContact O-C 3.56Å; M120-I145 WeakPolarHBondContact O-CA 3.26Å; C130-I145 HydrophobicContact CB-CD1 4.33Å; C130-I145 HydrophobicContact CB-CG1 4.42Å; C130-I145 HydrophobicContact CB-CG2 3.91Å; L142-I145 HydrophobicContact CD2-CD1 4.22Å; L142-I145 HydrophobicContact CD2-CG1 3.52Å; I145-L164 HydrophobicContact CD1-CD1 4.23Å; I145-L164 HydrophobicContact CG2-CD1 4.05Å; I145-D168 HydrophobicContact CD1-CB 3.84Å; I145-A169 HydrophobicContact CB-CB 4.39Å; I145-A169 HydrophobicContact CD1-CB 3.9Å; I145-A169 HydrophobicContact CG1-CB 3.8Å; I145-F171 PolarHBondContact N-O 2.87Å; I145-V172 HydrophobicContact CB-CG1 4.32Å; I145-V172 HydrophobicContact CB-CG2 4.29Å; I145-V172 HydrophobicContact CG2-CG1 4.4Å; I145-V172 CarbonylContact O-C 3.51Å; I145-V172 WeakPolarHBondContact O-CA 3.34Å; I145-Q173 PolarHBondContact O-N 3.18Å
146V98.9Very high94.3Very high4 Ų438.6 Ų38.62%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-108.4120.7167.1-177.80000108.2T119 M120 V121 G122 L148 Q173 Y242T119-V146 HydrophobicContact CG2-CG2 4.2Å; M120-V146 PolarHBondContact O-N 3.2Å; V121-V146 CarbonylContact C-O 3.56Å; V121-V146 VanDerWaalsContact CA-O 3.32Å; V121-V146 WeakPolarHBondContact CA-O 3.35Å; V121-V146 HydrophobicContact CG1-CB 4.26Å; V121-V146 HydrophobicContact CG1-CG1 4.38Å; V121-V146 HydrophobicContact CG2-CB 4.23Å; G122-V146 PolarHBondContact N-O 3.45Å; V146-L148 HydrophobicContact CG1-CD2 3.83Å; V146-L148 HydrophobicContact CG1-CG 4.44Å; V146-Q173 CarbonylContact C-O 3.49Å; V146-Q173 WeakPolarHBondContact CA-O 3.23Å; V146-Y242 HydrophobicContact CG1-CD1 4.48Å; V146-Y242 HydrophobicContact CG1-CD2 4.14Å; V146-Y242 HydrophobicContact CG1-CE1 4.13Å; V146-Y242 HydrophobicContact CG1-CE2 3.76Å; V146-Y242 HydrophobicContact CG1-CG 4.48Å; V146-Y242 HydrophobicContact CG2-CE2 4.47Å
147A98.9Very high94.2Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-114.7109.7-174.300000110.2C127 D149 P150 L164 Q173 C174 I175C127-A147 HydrophobicContact CB-CB 4.01Å; A147-D149 PolarHBondContact O-N 3.06Å; A147-P150 HydrophobicContact CB-CG 4.14Å; A147-L164 HydrophobicContact CB-CD2 3.26Å; A147-Q173 PolarHBondContact N-O 2.9Å; A147-C174 WeakPolarHBondContact O-CA 3.26Å; A147-I175 PolarHBondContact O-N 3.11Å
148L98.7Very high94.2Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-94.597.2-175.3-51.8175000108.8M61 V121 G122 F123 S124 C127 V146 I175 A238 P239 Y242M61-L148 HydrophobicContact CE-CD1 3.72Å; M61-L148 HydrophobicContact SD-CD1 4.49Å; V121-L148 HydrophobicContact CG1-CD1 3.51Å; V121-L148 HydrophobicContact CG1-CG 4Å; G122-L148 WeakPolarHBondContact O-CB 3.25Å; G122-L148 WeakPolarHBondContact O-CG 3.45Å; G122-L148 PolarHBondContact O-N 3.43Å; F123-L148 WeakPolarHBondContact CA-O 3.46Å; F123-L148 HydrophobicContact CB-CB 4.33Å; F123-L148 HydrophobicContact CD2-CB 4.11Å; F123-L148 VanDerWaalsContact CD2-O 3.23Å; F123-L148 WeakPolarHBondContact CD2-O 3.44Å; S124-L148 PolarHBondContact N-O 3.25Å; C127-L148 PolarHBondContact SG-N 3.39Å; C127-L148 VanDerWaalsContact SG-N 3.36Å; C127-L148 PolarHBondContact SG-O 3.1Å; V146-L148 HydrophobicContact CG1-CD2 3.83Å; V146-L148 HydrophobicContact CG1-CG 4.44Å; L148-I175 HydrophobicContact CB-CG2 4.44Å; L148-I175 HydrophobicContact CD2-CG2 3.66Å; L148-A238 HydrophobicContact CB-CB 3.95Å; L148-P239 HydrophobicContact CD1-CB 4.06Å; L148-Y242 HydrophobicContact CD2-CD1 4.25Å; L148-Y242 HydrophobicContact CD2-CD2 4.4Å; L148-Y242 HydrophobicContact CD2-CG 3.87Å
149D98.5Very high95Very high0 Ų036.5 Ų36.50%022%0.216CC..SBendtrans51.873.7-179.2-151.221.7000113.3S124 A147 A151 I175 H176 T177 D178 H235 A238S124-D149 WeakPolarHBondContact CA-O 3.44Å; S124-D149 PolarHBondContact N-O 3.27Å; A147-D149 PolarHBondContact O-N 3.06Å; D149-A151 PolarHBondContact O-N 3.13Å; D149-I175 WeakPolarHBondContact CA-O 3.01Å; D149-I175 PolarHBondContact N-O 3.25Å; D149-H176 WeakPolarHBondContact OD1-CA 3.23Å; D149-T177 PolarHBondContact OD1-N 3.32Å; D149-T177 PolarHBondContact OD2-OG1 2.81Å; D149-D178 PolarHBondContact OD1-N 3.25Å; D149-D178 VanDerWaalsContact OD2-CB 3.25Å; D149-D178 WeakPolarHBondContact OD2-CB 3.24Å; D149-D178 PolarHBondContact OD2-N 2.69Å; D149-D178 VanDerWaalsContact OD2-N 3.11Å; D149-H235 PolarHBondContact O-CE1 3.18Å; D149-H235 VanDerWaalsContact O-CE1 3.25Å; D149-H235 WeakPolarHBondContact OD2-CA 3.38Å; D149-H235 IonicContact OD2-CE1 3.78Å; D149-H235 IonicContact OD2-CG 3.13Å; D149-H235 IonicContact OD2-ND1 2.72Å; D149-H235 PolarHBondContact OD2-ND1 3.08Å; D149-A238 HydrophobicContact CB-CB 3.71Å
150P98.7Very high95.6Very high0 Ų031 Ų310%020%0.197CC..  trans-53134.3-179.2-21.931.5000112.3C127 A147 G152 L164 G188 T189 M193C127-P150 HydrophobicContact CB-CB 3.98Å; C127-P150 HydrophobicContact CB-CG 4.21Å; A147-P150 HydrophobicContact CB-CG 4.14Å; P150-G152 PolarHBondContact O-N 3.26Å; P150-L164 HydrophobicContact CG-CD2 4.39Å; P150-G188 WeakPolarHBondContact O-CA 3.37Å; P150-T189 HydrophobicContact CB-CG2 4.32Å; P150-M193 HydrophobicContact CB-SD 3.92Å; P150-M193 HydrophobicContact CG-SD 4.37Å
151A96.6Very high96Very high0 Ų035.9 Ų35.90%021%0.208CC..  trans-58.9125-178.300000111.5S124 L125 H128 D149 F155 L187S124-A151 PolarHBondContact O-N 2.73Å; L125-A151 HydrophobicContact CD2-CB 3.99Å; L125-A151 HydrophobicContact CG-CB 4.48Å; H128-A151 PolarHBondContact NE2-O 2.94Å; D149-A151 PolarHBondContact O-N 3.13Å; A151-F155 HydrophobicContact CB-CD2 4.22Å; A151-F155 HydrophobicContact CB-CE2 4.47Å; A151-F155 WeakPolarHBondContact O-CB 3.37Å; A151-L187 WeakPolarHBondContact CA-O 3.26Å
152G94.3Very high96.1Very high7 Ų733.8 Ų33.87%0.07220%0.203CC..  trans-74.4-53.6174.800000113.2P150 L154 F155 A156 L187 G188P150-G152 PolarHBondContact O-N 3.26Å; G152-L154 PolarHBondContact O-N 2.76Å; G152-F155 PolarHBondContact O-N 3.42Å; G152-A156 WeakPolarHBondContact O-CB 3.44Å; G152-A156 PolarHBondContact O-N 2.91Å; G152-L187 PolarHBondContact N-O 3.06Å; G152-G188 WeakPolarHBondContact CA-O 3.4Å; G152-G188 PolarHBondContact N-O 3.4Å
153P91Very high96.3Very high17 Ų1735 Ų3511%0.1121%0.207CC..THydrogen-bonded Turntrans-58.8125.1-175-25.134.5000112.3Y86 F155 Y182 L187Y86-P153 HydrophobicContact CE1-CB 3.82Å; Y86-P153 WeakPolarHBondContact CE1-O 3.4Å; Y86-P153 PolarHBondContact OH-O 2.7Å; P153-F155 VanDerWaalsContact C-N 3.33Å; P153-F155 WeakPolarHBondContact O-CD2 3.48Å; P153-Y182 HydrophobicContact CB-CD2 4.23Å; P153-Y182 HydrophobicContact CB-CE2 4.5Å; P153-Y182 HydrophobicContact CB-CG 4.47Å; P153-Y182 HydrophobicContact CG-CD2 3.46Å; P153-Y182 VanDerWaalsContact CG-CD2 3.46Å; P153-Y182 HydrophobicContact CG-CE2 4Å; P153-Y182 HydrophobicContact CG-CG 3.93Å; P153-L187 VanDerWaalsContact CD-O 3.22Å; P153-L187 WeakPolarHBondContact CD-O 3.27Å
154L92.6Very high96.5Very high65 Ų6533.9 Ų33.934%0.3420%0.2SC..THydrogen-bonded Turntrans74.53.1-175.5-50.4175.2000116.7Y86 Y87 A90 G152Y86-L154 HydrophobicContact CD1-CD1 3.92Å; Y86-L154 HydrophobicContact CE1-CD1 3.73Å; Y86-L154 HydrophobicContact CE1-CG 4.01Å; Y87-L154 HydrophobicContact CD1-CD1 3.61Å; Y87-L154 HydrophobicContact CD1-CD2 3.98Å; Y87-L154 HydrophobicContact CD1-CG 4.38Å; Y87-L154 HydrophobicContact CE1-CD1 4.16Å; Y87-L154 HydrophobicContact CE1-CD2 3.81Å; Y87-L154 HydrophobicContact CE1-CG 4.48Å; Y87-L154 HydrophobicContact CG-CD1 4.28Å; A90-L154 HydrophobicContact CB-CD1 3.66Å; G152-L154 PolarHBondContact O-N 2.76Å
155F96.1Very high96.5Very high4 Ų433.3 Ų33.32%0.01820%0.198CC..THydrogen-bonded Turntrans-131.8-40.9-178.5-59.9-89.4000113.8A90 L125 H128 Y132 A151 G152 P153 G157 Y158 V162 R163A90-F155 HydrophobicContact CB-CE2 3.96Å; A90-F155 HydrophobicContact CB-CZ 4.02Å; L125-F155 HydrophobicContact CD2-CD2 4.37Å; L125-F155 HydrophobicContact CD2-CE2 3.33Å; L125-F155 HydrophobicContact CD2-CZ 3.73Å; H128-F155 HydrophobicContact CB-CD1 4.16Å; H128-F155 HydrophobicContact CB-CE1 3.75Å; H128-F155 HydrophobicContact CB-CZ 4.26Å; H128-F155 AromaticContact CD2-CD1 3.21Å; H128-F155 WeakPolarHBondContact CD2-CD1 3.39Å; H128-F155 AromaticContact CD2-CD2 3.39Å; H128-F155 WeakPolarHBondContact CD2-CD2 3.41Å; H128-F155 AromaticContact CD2-CE1 3.38Å; H128-F155 WeakPolarHBondContact CD2-CE1 3.22Å; H128-F155 AromaticContact CD2-CE2 3.6Å; H128-F155 AromaticContact CD2-CG 3.22Å; H128-F155 WeakPolarHBondContact CD2-CG 3.19Å; H128-F155 AromaticContact CD2-CZ 3.59Å; H128-F155 AromaticContact CE1-CG 3.93Å; H128-F155 AromaticContact CG-CD1 3.51Å; H128-F155 AromaticContact CG-CE1 3.58Å; H128-F155 AromaticContact CG-CG 3.97Å; H128-F155 VanDerWaalsContact NE2-CB 3.35Å; H128-F155 WeakPolarHBondContact NE2-CB 3.15Å; H128-F155 AromaticContact NE2-CD1 3.56Å; H128-F155 AromaticContact NE2-CD2 3.56Å; H128-F155 AromaticContact NE2-CG 3.19Å; H128-F155 WeakPolarHBondContact NE2-CG 3.41Å; Y132-F155 HydrophobicContact CE2-CE1 4.44Å; A151-F155 HydrophobicContact CB-CD2 4.22Å; A151-F155 HydrophobicContact CB-CE2 4.47Å; A151-F155 WeakPolarHBondContact O-CB 3.37Å; G152-F155 PolarHBondContact O-N 3.42Å; P153-F155 VanDerWaalsContact C-N 3.33Å; P153-F155 WeakPolarHBondContact O-CD2 3.48Å; F155-G157 PolarHBondContact O-N 3.32Å; F155-Y158 WeakPolarHBondContact O-CB 3.17Å; F155-Y158 PolarHBondContact O-N 3.46Å; F155-Y158 VanDerWaalsContact O-N 3.1Å; F155-V162 VanDerWaalsContact CD1-O 3.27Å; F155-V162 WeakPolarHBondContact CD1-O 3.29Å; F155-R163 HydrophobicContact CB-CB 4.13Å; F155-R163 HydrophobicContact CD1-CB 4.17Å
156A94.4Very high96.5Very high40 Ų4035.5 Ų35.533%0.33121%0.212SC..THydrogen-bonded Turntrans-57.9136176.200000110.7G152 Y158G152-A156 WeakPolarHBondContact O-CB 3.44Å; G152-A156 PolarHBondContact O-N 2.91Å; A156-Y158 PolarHBondContact O-N 3.42Å
157G94.8Very high96.3Very high69 Ų6939.8 Ų39.871%0.71124%0.238SC*.THydrogen-bonded Turntrans81-12.2-17700000115F155F155-G157 PolarHBondContact O-N 3.32Å
158Y95.6Very high96.3Very high128 Ų12839.9 Ų39.950%0.50224%0.239SC..SBendtrans-80.3160.5173.2-68.8-90000112F155 A156 V162 R163F155-Y158 WeakPolarHBondContact O-CB 3.17Å; F155-Y158 PolarHBondContact O-N 3.46Å; F155-Y158 VanDerWaalsContact O-N 3.1Å; A156-Y158 PolarHBondContact O-N 3.42Å; Y158-V162 HydrophobicContact CD1-CG1 4.25Å; Y158-V162 HydrophobicContact CG-CB 4.44Å; Y158-V162 HydrophobicContact CG-CG1 4.07Å; Y158-R163 PolarHBondContact O-NE 2.92Å
159G96.3Very high96.3Very high41 Ų4140 Ų4042%0.42324%0.239SC..  trans-74.3166.6177.300000113.8K161 V162G159-K161 PolarHBondContact O-N 2.85Å; G159-V162 PolarHBondContact O-N 3.39Å
160P96.9Very high96.2Very high71 Ų7143.8 Ų43.846%0.46126%0.26SS..THydrogen-bonded Turntrans-52.5-25.5-176.1-30.736.9000115.7K135 V162 A165K135-P160 WeakPolarHBondContact CE-O 3.44Å; K135-P160 PolarHBondContact NZ-O 2.75Å; P160-V162 VanDerWaalsContact C-N 3.28Å; P160-V162 PolarHBondContact O-N 3.49Å; P160-A165 HydrophobicContact CB-CB 3.75Å; P160-A165 HydrophobicContact CG-CB 4.49Å
161K96Very high96.1Very high190 Ų19044.1 Ų44.183%0.82626%0.261SS*.THydrogen-bonded Turntrans-66.5-25.7178.2-67.6-177.3179.8177.10113.9G159G159-K161 PolarHBondContact O-N 2.85Å
162V95Very high96.2Very high40 Ų4044.1 Ų44.124%0.24226%0.261CS..THydrogen-bonded Turntrans-102.8-11.8-171.4-179.90000112.3Y132 F155 Y158 G159 P160Y132-V162 PolarHBondContact OH-O 3.02Å; F155-V162 VanDerWaalsContact CD1-O 3.27Å; F155-V162 WeakPolarHBondContact CD1-O 3.29Å; Y158-V162 HydrophobicContact CD1-CG1 4.25Å; Y158-V162 HydrophobicContact CG-CB 4.44Å; Y158-V162 HydrophobicContact CG-CG1 4.07Å; G159-V162 PolarHBondContact O-N 3.39Å; P160-V162 VanDerWaalsContact C-N 3.28Å; P160-V162 PolarHBondContact O-N 3.49Å
163R97.6Very high96.4Very high24 Ų2444 Ų449%0.09126%0.258CS..SBendtrans-141179.3-172.957.4163.317894-9.2111.4K135 F155 Y158K135-R163 PolarHBondContact NZ-O 3.05Å; F155-R163 HydrophobicContact CB-CB 4.13Å; F155-R163 HydrophobicContact CD1-CB 4.17Å; Y158-R163 PolarHBondContact O-NE 2.92Å
164L98.7Very high96.8Very high0 Ų043.1 Ų43.10%025%0.253CS..  trans-61.7142.3168177.768.4000109.5C127 H128 I145 A147 P150 D168 V172 M193C127-L164 HydrophobicContact CB-CD2 4.31Å; H128-L164 PolarHBondContact ND1-N 3.29Å; I145-L164 HydrophobicContact CD1-CD1 4.23Å; I145-L164 HydrophobicContact CG2-CD1 4.05Å; A147-L164 HydrophobicContact CB-CD2 3.26Å; P150-L164 HydrophobicContact CG-CD2 4.39Å; L164-D168 HydrophobicContact CD1-CB 4.49Å; L164-V172 HydrophobicContact CD1-CG1 4.21Å; L164-V172 HydrophobicContact CD2-CG1 4.23Å; L164-V172 HydrophobicContact CG-CG1 4.37Å; L164-M193 HydrophobicContact CB-CB 4.49Å; L164-M193 HydrophobicContact CB-SD 4.17Å; L164-M193 HydrophobicContact CD2-CB 4.24Å; L164-M193 HydrophobicContact CG-CB 4.32Å
165A98.4Very high97.1Very high0 Ų040.1 Ų40.10%024%0.237CC..  trans-145.6159.5175.400000111.6P160 T167 D168 M193P160-A165 HydrophobicContact CB-CB 3.75Å; P160-A165 HydrophobicContact CG-CB 4.49Å; A165-T167 PolarHBondContact O-N 2.98Å; A165-T167 VanDerWaalsContact O-N 3.08Å; A165-D168 PolarHBondContact N-OD2 3.02Å; A165-D168 WeakPolarHBondContact O-CB 3.22Å; A165-D168 VanDerWaalsContact O-CG 3.23Å; A165-D168 PolarHBondContact O-N 3.34Å; A165-D168 VanDerWaalsContact O-N 3.11Å; A165-M193 CarbonylContact C-O 3.57Å; A165-M193 VanDerWaalsContact C-O 3.31Å
166P97.5Very high97.2Very high45 Ų4539.9 Ų39.929%0.29224%0.236SC..G310 helixtrans-61.7-23.6179.9-21.132.6000112.9D168 M193 G194 H195P166-D168 PolarHBondContact O-N 2.78Å; P166-M193 VanDerWaalsContact CD-O 3.23Å; P166-M193 WeakPolarHBondContact CD-O 3.07Å; P166-G194 VanDerWaalsContact CG-O 3.31Å; P166-G194 WeakPolarHBondContact CG-O 3.42Å; P166-H195 PolarHBondContact O-CE1 3.47Å
167T96.6Very high97.3Very high94 Ų9438 Ų3858%0.57722%0.221SC*.G310 helixtrans-73.1-9.6179.952.10000114.6A165 A169A165-T167 PolarHBondContact O-N 2.98Å; A165-T167 VanDerWaalsContact O-N 3.08Å; T167-A169 VanDerWaalsContact C-N 3.3Å; T167-A169 PolarHBondContact O-N 3.19Å
168D97.8Very high97.3Very high3 Ų334.7 Ų34.72%0.01619%0.187CC..G310 helixtrans-79.6-11.8-171.5-60.6-21.1000113.5G131 G134 K135 I145 L164 A165 P166G131-D168 WeakPolarHBondContact CA-OD2 3.38Å; G134-D168 WeakPolarHBondContact CA-O 3.34Å; K135-D168 WeakPolarHBondContact CE-OD1 3.48Å; K135-D168 VanDerWaalsContact CG-OD1 3.24Å; K135-D168 WeakPolarHBondContact CG-OD1 3.47Å; K135-D168 IonicContact NZ-OD1 3.41Å; K135-D168 PolarHBondContact NZ-OD1 3.27Å; K135-D168 IonicContact NZ-OD2 2.68Å; K135-D168 PolarHBondContact NZ-OD2 2.97Å; I145-D168 HydrophobicContact CD1-CB 3.84Å; L164-D168 HydrophobicContact CD1-CB 4.49Å; A165-D168 PolarHBondContact N-OD2 3.02Å; A165-D168 WeakPolarHBondContact O-CB 3.22Å; A165-D168 VanDerWaalsContact O-CG 3.23Å; A165-D168 PolarHBondContact O-N 3.34Å; A165-D168 VanDerWaalsContact O-N 3.11Å; P166-D168 PolarHBondContact O-N 2.78Å
169A98.1Very high97.2Very high1 Ų129 Ų291%0.00817%0.166CC..SBendtrans-152174.3173.100000109.7L142 I145 T167 F171 V172L142-A169 HydrophobicContact CB-CB 4.26Å; L142-A169 HydrophobicContact CD2-CB 4.2Å; L142-A169 CarbonylContact O-C 3.57Å; L142-A169 VanDerWaalsContact O-CA 3.25Å; L142-A169 WeakPolarHBondContact O-CA 3.28Å; L142-A169 VanDerWaalsContact O-CB 3.26Å; L142-A169 WeakPolarHBondContact O-CB 3.46Å; I145-A169 HydrophobicContact CB-CB 4.39Å; I145-A169 HydrophobicContact CD1-CB 3.9Å; I145-A169 HydrophobicContact CG1-CB 3.8Å; T167-A169 VanDerWaalsContact C-N 3.3Å; T167-A169 PolarHBondContact O-N 3.19Å; A169-F171 VanDerWaalsContact C-N 3.3Å; A169-V172 HydrophobicContact CB-CG2 3.99Å
170D96.4Very high96.9Very high81 Ų8128.9 Ų28.943%0.43315%0.154SC..SBendtrans-68.4-34.3173.2-71.1-27.4000111.5K141 L142 S143 H195K141-D170 VanDerWaalsContact CD-OD1 3.26Å; K141-D170 WeakPolarHBondContact CD-OD1 3.35Å; L142-D170 PolarHBondContact O-N 3.39Å; S143-D170 PolarHBondContact O-N 2.98Å; D170-H195 PolarHBondContact O-CE1 3.25Å
171F98Very high96.3Very high7 Ų726.8 Ų26.83%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-134.8135.8171.4-170.7-106.1000111.8S143 R144 I145 A169 Q173 H195 V196 L289 I294S143-F171 PolarHBondContact O-N 3.44Å; R144-F171 WeakPolarHBondContact CA-O 3.36Å; R144-F171 HydrophobicContact CG-CB 4.28Å; I145-F171 PolarHBondContact N-O 2.87Å; A169-F171 VanDerWaalsContact C-N 3.3Å; F171-Q173 HydrophobicContact CE1-CB 3.98Å; F171-H195 HydrophobicContact CD2-CB 3.99Å; F171-H195 HydrophobicContact CE2-CB 4Å; F171-V196 HydrophobicContact CE1-CG2 4.15Å; F171-V196 HydrophobicContact CE2-CG1 4.06Å; F171-V196 HydrophobicContact CE2-CG2 4.32Å; F171-V196 HydrophobicContact CZ-CB 4.41Å; F171-V196 HydrophobicContact CZ-CG1 3.95Å; F171-V196 HydrophobicContact CZ-CG2 3.54Å; F171-L289 VanDerWaalsContact CD1-O 3.32Å; F171-L289 WeakPolarHBondContact CD1-O 3.49Å; F171-L289 HydrophobicContact CE1-CB 3.81Å; F171-L289 WeakPolarHBondContact CE1-O 3.38Å; F171-L289 HydrophobicContact CZ-CB 4.25Å; F171-I294 HydrophobicContact CE2-CG2 4.03Å; F171-I294 HydrophobicContact CZ-CG2 3.56Å
172V98.7Very high95.5Very high0 Ų021.2 Ų21.20%012%0.12CC..EExtended strand (participates in β ladder)trans-131.2114.3-179.5-177.70000107.6I145 L164 A169 G194 H195 V196I145-V172 HydrophobicContact CB-CG1 4.32Å; I145-V172 HydrophobicContact CB-CG2 4.29Å; I145-V172 HydrophobicContact CG2-CG1 4.4Å; I145-V172 CarbonylContact O-C 3.51Å; I145-V172 WeakPolarHBondContact O-CA 3.34Å; L164-V172 HydrophobicContact CD1-CG1 4.21Å; L164-V172 HydrophobicContact CD2-CG1 4.23Å; L164-V172 HydrophobicContact CG-CG1 4.37Å; A169-V172 HydrophobicContact CB-CG2 3.99Å; V172-G194 CarbonylContact O-C 3.6Å; V172-G194 WeakPolarHBondContact O-CA 3.31Å; V172-H195 PolarHBondContact N-ND1 2.76Å; V172-H195 WeakPolarHBondContact O-CB 3.33Å; V172-H195 PolarHBondContact O-N 3.22Å; V172-V196 PolarHBondContact O-N 2.96Å
173Q98.6Very high94.7Very high3 Ų326.1 Ų26.11%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-102.8124.6175.7172.9179.2-0.600108.6I145 V146 A147 F171 V196 F198 F285 G286I145-Q173 PolarHBondContact O-N 3.18Å; V146-Q173 CarbonylContact C-O 3.49Å; V146-Q173 WeakPolarHBondContact CA-O 3.23Å; A147-Q173 PolarHBondContact N-O 2.9Å; F171-Q173 HydrophobicContact CE1-CB 3.98Å; Q173-V196 HydrophobicContact CB-CG2 3.93Å; Q173-V196 HydrophobicContact CG-CG2 3.99Å; Q173-F198 HydrophobicContact CG-CD2 4.16Å; Q173-F198 HydrophobicContact CG-CE2 4.01Å; Q173-F285 VanDerWaalsContact NE2-CE2 3.34Å; Q173-G286 PolarHBondContact NE2-O 3.18Å
174C98.8Very high93.9Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-113142.8173.1-65.70000110.2A147 G194 V196 D197 F198A147-C174 WeakPolarHBondContact O-CA 3.26Å; C174-G194 PolarHBondContact SG-N 3.47Å; C174-G194 VanDerWaalsContact SG-N 3.4Å; C174-V196 PolarHBondContact N-O 3.26Å; C174-D197 VanDerWaalsContact CB-OD1 3.24Å; C174-D197 WeakPolarHBondContact CB-OD1 3.22Å; C174-D197 WeakPolarHBondContact O-CA 3.37Å; C174-F198 PolarHBondContact O-N 3.49Å
175I98.8Very high93Very high1 Ų130.9 Ų30.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-123.5128.7166.1-179.6168000108.1A147 L148 D149 T177 F198 P200 A238 L241 F285 F301A147-I175 PolarHBondContact O-N 3.11Å; L148-I175 HydrophobicContact CB-CG2 4.44Å; L148-I175 HydrophobicContact CD2-CG2 3.66Å; D149-I175 WeakPolarHBondContact CA-O 3.01Å; D149-I175 PolarHBondContact N-O 3.25Å; I175-T177 HydrophobicContact CD1-CG2 4.46Å; I175-T177 HydrophobicContact CG1-CG2 4.16Å; I175-F198 CarbonylContact C-O 3.57Å; I175-F198 WeakPolarHBondContact CA-O 3.32Å; I175-F198 HydrophobicContact CB-CB 4.4Å; I175-F198 HydrophobicContact CG1-CB 4.39Å; I175-P200 HydrophobicContact CD1-CG 3.63Å; I175-P200 HydrophobicContact CG1-CG 3.71Å; I175-A238 HydrophobicContact CG2-CB 3.87Å; I175-L241 HydrophobicContact CD1-CB 4.05Å; I175-L241 HydrophobicContact CD1-CD1 3.78Å; I175-F285 HydrophobicContact CB-CE2 4.12Å; I175-F285 HydrophobicContact CD1-CD1 4.49Å; I175-F285 HydrophobicContact CD1-CD2 4.28Å; I175-F285 HydrophobicContact CD1-CE1 3.93Å; I175-F285 HydrophobicContact CD1-CE2 3.68Å; I175-F285 HydrophobicContact CD1-CZ 3.48Å; I175-F285 VanDerWaalsContact CD1-CZ 3.48Å; I175-F285 HydrophobicContact CG1-CE2 4.41Å; I175-F301 HydrophobicContact CD1-CZ 4.39Å
176H98.6Very high92.4Very high0 Ų030.9 Ų30.90%017%0.166CC..  trans-115.2117.4-175.8-60.4-84000109.4D149 T189 Q191 D197 F198 Y199 P200 G203D149-H176 WeakPolarHBondContact OD1-CA 3.23Å; H176-T189 WeakPolarHBondContact CB-O 3.45Å; H176-T189 PolarHBondContact ND1-O 2.85Å; H176-Q191 PolarHBondContact CE1-O 3.05Å; H176-D197 IonicContact CD2-OD1 2.76Å; H176-D197 IonicContact CE1-OD1 3.62Å; H176-D197 IonicContact NE2-OD1 3.96Å; H176-D197 PolarHBondContact NE2-OD1 3.43Å; H176-F198 PolarHBondContact N-O 3.25Å; H176-Y199 HydrophobicContact CB-CD1 3.76Å; H176-Y199 HydrophobicContact CB-CE1 3.76Å; H176-Y199 AromaticContact CD2-CE1 3.48Å; H176-Y199 VanDerWaalsContact CD2-CE1 3.48Å; H176-Y199 WeakPolarHBondContact CD2-CE1 3.16Å; H176-Y199 AromaticContact CD2-CZ 3.48Å; H176-Y199 VanDerWaalsContact CD2-CZ 3.48Å; H176-Y199 AromaticContact CG-CE1 3.73Å; H176-P200 WeakPolarHBondContact O-CD 3.49Å; H176-G203 WeakPolarHBondContact O-CA 3.24Å
177T96.7Very high92.1Very high0 Ų029.2 Ų29.20%016%0.155CC..SBendtrans-120.4-17.3-172.846.10000114.3D149 I175 P200 G203 Q206 S234 H235 R237 A238 L241D149-T177 PolarHBondContact OD1-N 3.32Å; D149-T177 PolarHBondContact OD2-OG1 2.81Å; I175-T177 HydrophobicContact CD1-CG2 4.46Å; I175-T177 HydrophobicContact CG1-CG2 4.16Å; T177-P200 HydrophobicContact CG2-CG 3.89Å; T177-G203 CarbonylContact C-O 3.57Å; T177-G203 VanDerWaalsContact C-O 3.28Å; T177-Q206 HydrophobicContact CG2-CG 4.19Å; T177-Q206 WeakPolarHBondContact O-CG 3.32Å; T177-Q206 PolarHBondContact O-NE2 3.09Å; T177-S234 WeakPolarHBondContact CB-O 3.35Å; T177-S234 PolarHBondContact OG1-O 3.19Å; T177-H235 PolarHBondContact OG1-O 3.04Å; T177-R237 HydrophobicContact CG2-CB 4.21Å; T177-R237 HydrophobicContact CG2-CG 4.43Å; T177-A238 HydrophobicContact CG2-CB 4.09Å; T177-A238 WeakPolarHBondContact OG1-CB 3.18Å; T177-A238 PolarHBondContact OG1-N 3.44Å; T177-L241 HydrophobicContact CG2-CD1 4.12Å
178D94.4Very high92Very high0 Ų024.9 Ų24.90%013%0.129CC..  trans-135.843.2-176.6-166.131.2000113.6D149 K180 G186 L187 G188 G203 K204 H235D149-D178 PolarHBondContact OD1-N 3.25Å; D149-D178 VanDerWaalsContact OD2-CB 3.25Å; D149-D178 WeakPolarHBondContact OD2-CB 3.24Å; D149-D178 PolarHBondContact OD2-N 2.69Å; D149-D178 VanDerWaalsContact OD2-N 3.11Å; D178-K180 VanDerWaalsContact C-N 3.33Å; D178-K180 PolarHBondContact O-N 3.46Å; D178-K180 IonicContact OD1-NZ 3.65Å; D178-K180 PolarHBondContact OD1-NZ 2.89Å; D178-G186 WeakPolarHBondContact O-CA 3.32Å; D178-L187 PolarHBondContact O-N 3.41Å; D178-L187 PolarHBondContact OD2-N 2.82Å; D178-G188 WeakPolarHBondContact O-CA 3.12Å; D178-G188 PolarHBondContact O-N 3.32Å; D178-G188 VanDerWaalsContact O-N 3.07Å; D178-G203 PolarHBondContact N-O 3.16Å; D178-K204 CarbonylContact C-O 3.5Å; D178-H235 HydrophobicContact CB-CB 4.05Å
179G94.1Very high91.9Very high7 Ų725.2 Ų25.27%0.07213%0.131CC..  trans-81.411.8-173.500000116.7G181 L190 G203 K204G179-G181 PolarHBondContact O-N 3.23Å; G179-L190 WeakPolarHBondContact O-CG 3.24Å; G179-G203 PolarHBondContact N-O 3.28Å; G179-K204 PolarHBondContact N-O 3.14Å
180K89Confident91.9Very high39 Ų3928 Ų2817%0.1715%0.146CC..SBendtrans-62.9-5-178.361-176.7-174.7-79.10115.6D178 H184 G185 K204D178-K180 VanDerWaalsContact C-N 3.33Å; D178-K180 PolarHBondContact O-N 3.46Å; D178-K180 IonicContact OD1-NZ 3.65Å; D178-K180 PolarHBondContact OD1-NZ 2.89Å; K180-H184 HydrophobicContact CB-CB 4.4Å; K180-H184 HydrophobicContact CD-CB 4.45Å; K180-H184 WeakPolarHBondContact CD-O 3.45Å; K180-H184 WeakPolarHBondContact CE-O 3.48Å; K180-H184 HydrophobicContact CG-CB 4.25Å; K180-H184 PolarHBondContact O-ND1 2.96Å; K180-H184 VanDerWaalsContact O-ND1 3.12Å; K180-G185 VanDerWaalsContact CE-C 3.41Å; K180-G185 VanDerWaalsContact CE-O 3.31Å; K180-G185 WeakPolarHBondContact CE-O 3.31Å; K180-G185 PolarHBondContact NZ-O 2.76Å; K180-K204 HydrophobicContact CB-CB 4.32Å; K180-K204 PolarHBondContact N-O 3.07Å
181G84.5Confident91.9Very high28 Ų2826.6 Ų26.629%0.28914%0.136SC..  trans88.9149.7179.300000112.4G179 M183 H184 G185 G186G179-G181 PolarHBondContact O-N 3.23Å; G181-M183 VanDerWaalsContact C-N 3.32Å; G181-M183 PolarHBondContact O-N 2.77Å; G181-H184 CarbonylContact O-C 3.53Å; G181-H184 PolarHBondContact O-N 2.79Å; G181-G185 PolarHBondContact O-N 2.77Å; G181-G186 PolarHBondContact O-N 2.98Å
182Y80Confident91.9Very high73 Ų7329.6 Ų29.629%0.28616%0.156SC..G310 helixtrans-58.8-40.5-171.3-172.8-123.5000113.4P153 H184 G185 G186 I217 W221P153-Y182 HydrophobicContact CB-CD2 4.23Å; P153-Y182 HydrophobicContact CB-CE2 4.5Å; P153-Y182 HydrophobicContact CB-CG 4.47Å; P153-Y182 HydrophobicContact CG-CD2 3.46Å; P153-Y182 VanDerWaalsContact CG-CD2 3.46Å; P153-Y182 HydrophobicContact CG-CE2 4Å; P153-Y182 HydrophobicContact CG-CG 3.93Å; Y182-H184 PolarHBondContact O-N 3.49Å; Y182-H184 VanDerWaalsContact O-N 3.14Å; Y182-G185 PolarHBondContact O-N 3.22Å; Y182-G186 VanDerWaalsContact CA-O 3.31Å; Y182-G186 WeakPolarHBondContact CA-O 3.49Å; Y182-I217 HydrophobicContact CD1-CG2 3.97Å; Y182-I217 HydrophobicContact CE1-CG2 3.27Å; Y182-I217 HydrophobicContact CE2-CG2 3.91Å; Y182-I217 VanDerWaalsContact O-CD1 3.22Å; Y182-I217 WeakPolarHBondContact O-CD1 3.42Å; Y182-I217 VanDerWaalsContact OH-CG2 3.25Å; Y182-I217 WeakPolarHBondContact OH-CG2 3.33Å; Y182-I217 PolarHBondContact OH-O 3.3Å; Y182-I217 VanDerWaalsContact OH-O 3.08Å; Y182-W221 HydrophobicContact CE2-CZ2 4.45Å
183M78.7Confident91.9Very high143 Ų14329.6 Ų29.670%0.70416%0.156SC*.G310 helixtrans-66.4-14178.4-59.3-57.1-8700114G181 I217G181-M183 VanDerWaalsContact C-N 3.32Å; G181-M183 PolarHBondContact O-N 2.77Å; M183-I217 VanDerWaalsContact CA-CD1 3.5Å; M183-I217 HydrophobicContact SD-CD1 4.19Å
184H79Confident91.8Very high120 Ų12029.9 Ų29.956%0.55616%0.161SC*.G310 helixtrans-107.912.7174.7-56.2108.6000112.1K180 G181 Y182K180-H184 HydrophobicContact CB-CB 4.4Å; K180-H184 HydrophobicContact CD-CB 4.45Å; K180-H184 WeakPolarHBondContact CD-O 3.45Å; K180-H184 WeakPolarHBondContact CE-O 3.48Å; K180-H184 HydrophobicContact CG-CB 4.25Å; K180-H184 PolarHBondContact O-ND1 2.96Å; K180-H184 VanDerWaalsContact O-ND1 3.12Å; G181-H184 CarbonylContact O-C 3.53Å; G181-H184 PolarHBondContact O-N 2.79Å; Y182-H184 PolarHBondContact O-N 3.49Å; Y182-H184 VanDerWaalsContact O-N 3.14Å
185G79.6Confident91.8Very high4 Ų431.2 Ų31.24%0.04117%0.167CC..THydrogen-bonded Turntrans7822.4-178.800000114.3K180 G181 Y182K180-G185 VanDerWaalsContact CE-C 3.41Å; K180-G185 VanDerWaalsContact CE-O 3.31Å; K180-G185 WeakPolarHBondContact CE-O 3.31Å; K180-G185 PolarHBondContact NZ-O 2.76Å; G181-G185 PolarHBondContact O-N 2.77Å; Y182-G185 PolarHBondContact O-N 3.22Å
186G87.4Confident91.8Very high0 Ų031.1 Ų31.10%017%0.166CC..  trans-87.9131.9171.300000111.8D178 G181 Y182D178-G186 WeakPolarHBondContact O-CA 3.32Å; G181-G186 PolarHBondContact O-N 2.98Å; Y182-G186 VanDerWaalsContact CA-O 3.31Å; Y182-G186 WeakPolarHBondContact CA-O 3.49Å
187L90.5Very high91.8Very high9 Ų931.3 Ų31.35%0.04717%0.167CC..  trans-97.7-23.1178.5-61.6179.1000112.9A151 G152 P153 D178 L220 W221 T232 H235A151-L187 WeakPolarHBondContact CA-O 3.26Å; G152-L187 PolarHBondContact N-O 3.06Å; P153-L187 VanDerWaalsContact CD-O 3.22Å; P153-L187 WeakPolarHBondContact CD-O 3.27Å; D178-L187 PolarHBondContact O-N 3.41Å; D178-L187 PolarHBondContact OD2-N 2.82Å; L187-L220 HydrophobicContact CD2-CD1 4.23Å; L187-W221 HydrophobicContact CD2-CH2 3.97Å; L187-T232 HydrophobicContact CD1-CG2 3.44Å; L187-T232 VanDerWaalsContact CD1-CG2 3.44Å; L187-H235 HydrophobicContact CB-CB 4.36Å; L187-H235 HydrophobicContact CD1-CB 4.26Å
188G94.9Very high91.9Very high3 Ų331.3 Ų31.33%0.03117%0.167CC..SBendtrans-85.6-159.4174.600000112.7P150 G152 D178P150-G188 WeakPolarHBondContact O-CA 3.37Å; G152-G188 WeakPolarHBondContact CA-O 3.4Å; G152-G188 PolarHBondContact N-O 3.4Å; D178-G188 WeakPolarHBondContact O-CA 3.12Å; D178-G188 PolarHBondContact O-N 3.32Å; D178-G188 VanDerWaalsContact O-N 3.07Å
189T96Very high92.1Very high11 Ų1131.6 Ų31.67%0.06717%0.168CC..  trans-144.6157.7178.9-175.90000110.2P150 H176 Q191 M193P150-T189 HydrophobicContact CB-CG2 4.32Å; H176-T189 WeakPolarHBondContact CB-O 3.45Å; H176-T189 PolarHBondContact ND1-O 2.85Å; T189-Q191 HydrophobicContact CG2-CB 4.42Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q191 PolarHBondContact OG1-N 2.87Å; T189-M193 HydrophobicContact CG2-CE 3.64Å
190L96.8Very high92.3Very high60 Ų6031.2 Ų31.231%0.31417%0.165SC..  trans-99.82.7166.4-64.3173.7000112.1G179 P192 Y199 K204G179-L190 WeakPolarHBondContact O-CG 3.24Å; L190-P192 WeakPolarHBondContact O-CD 3.32Å; L190-Y199 HydrophobicContact CB-CE1 4.37Å; L190-Y199 HydrophobicContact CD2-CD1 3.79Å; L190-Y199 HydrophobicContact CD2-CE1 3.87Å; L190-Y199 PolarHBondContact O-OH 2.97Å; L190-K204 HydrophobicContact CD1-CG 3.85Å; L190-K204 HydrophobicContact CD2-CG 4.37Å
191Q97.1Very high92.5Very high50 Ų5031.1 Ų31.123%0.23417%0.166CC..SBendtrans-70.5124178.8-178.7173.728.200109.3H176 T189 M193H176-Q191 PolarHBondContact CE1-O 3.05Å; T189-Q191 HydrophobicContact CG2-CB 4.42Å; T189-Q191 WeakPolarHBondContact OG1-CB 3.34Å; T189-Q191 PolarHBondContact OG1-N 2.87Å; Q191-M193 HydrophobicContact CB-CE 4.22Å; Q191-M193 HydrophobicContact CG-CE 4.4Å; Q191-M193 WeakPolarHBondContact O-CG 3.42Å; Q191-M193 PolarHBondContact O-N 3.37Å
192P97.7Very high93Very high70 Ų7030 Ų3046%0.45515%0.154SC..  trans-60.5131.4174-22.633.2000111.5L190 D197L190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-D197 WeakPolarHBondContact CA-OD1 3.33Å
193M98.3Very high93.8Very high0 Ų026.5 Ų26.50%014%0.14CC..  trans-130.6-7.1179.2-59.1-164.7-174.600113.2P150 L164 A165 P166 T189 Q191 D197P150-M193 HydrophobicContact CB-SD 3.92Å; P150-M193 HydrophobicContact CG-SD 4.37Å; L164-M193 HydrophobicContact CB-CB 4.49Å; L164-M193 HydrophobicContact CB-SD 4.17Å; L164-M193 HydrophobicContact CD2-CB 4.24Å; L164-M193 HydrophobicContact CG-CB 4.32Å; A165-M193 CarbonylContact C-O 3.57Å; A165-M193 VanDerWaalsContact C-O 3.31Å; P166-M193 VanDerWaalsContact CD-O 3.23Å; P166-M193 WeakPolarHBondContact CD-O 3.07Å; T189-M193 HydrophobicContact CG2-CE 3.64Å; Q191-M193 HydrophobicContact CB-CE 4.22Å; Q191-M193 HydrophobicContact CG-CE 4.4Å; Q191-M193 WeakPolarHBondContact O-CG 3.42Å; Q191-M193 PolarHBondContact O-N 3.37Å; M193-D197 PolarHBondContact N-OD1 3.07Å
194G98.4Very high94.5Very high10 Ų1023.6 Ų23.610%0.10312%0.124CC..SBendtrans-105174.6-177.700000114P166 V172 C174 V196 D197P166-G194 VanDerWaalsContact CG-O 3.31Å; P166-G194 WeakPolarHBondContact CG-O 3.42Å; V172-G194 CarbonylContact O-C 3.6Å; V172-G194 WeakPolarHBondContact O-CA 3.31Å; C174-G194 PolarHBondContact SG-N 3.47Å; C174-G194 VanDerWaalsContact SG-N 3.4Å; G194-V196 VanDerWaalsContact C-N 3.28Å; G194-D197 PolarHBondContact N-OD1 3.32Å; G194-D197 PolarHBondContact N-OD2 2.89Å
195H98.4Very high95Very high27 Ų2719 Ų1913%0.12511%0.107CC..SBendtrans-68.2-37156.4-73.9112.4000110.6P166 D170 F171 V172 K296 G297P166-H195 PolarHBondContact O-CE1 3.47Å; D170-H195 PolarHBondContact O-CE1 3.25Å; F171-H195 HydrophobicContact CD2-CB 3.99Å; F171-H195 HydrophobicContact CE2-CB 4Å; V172-H195 PolarHBondContact N-ND1 2.76Å; V172-H195 WeakPolarHBondContact O-CB 3.33Å; V172-H195 PolarHBondContact O-N 3.22Å; H195-K296 HydrophobicContact CB-CG 4.3Å; H195-K296 WeakPolarHBondContact CD2-CE 3.48Å; H195-K296 PolarHBondContact CD2-NZ 2.95Å; H195-K296 PolarHBondContact NE2-NZ 3.28Å; H195-K296 CarbonylContact O-C 3.48Å; H195-K296 WeakPolarHBondContact O-CA 3.31Å; H195-K296 WeakPolarHBondContact O-CB 3.35Å; H195-G297 PolarHBondContact O-N 3.09Å
196V98.4Very high95.6Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-126.7133.6170.6-58.50000109F171 V172 Q173 C174 G194 F198 I294 P295 G297 F299F171-V196 HydrophobicContact CE1-CG2 4.15Å; F171-V196 HydrophobicContact CE2-CG1 4.06Å; F171-V196 HydrophobicContact CE2-CG2 4.32Å; F171-V196 HydrophobicContact CZ-CB 4.41Å; F171-V196 HydrophobicContact CZ-CG1 3.95Å; F171-V196 HydrophobicContact CZ-CG2 3.54Å; V172-V196 PolarHBondContact O-N 2.96Å; Q173-V196 HydrophobicContact CB-CG2 3.93Å; Q173-V196 HydrophobicContact CG-CG2 3.99Å; C174-V196 PolarHBondContact N-O 3.26Å; G194-V196 VanDerWaalsContact C-N 3.28Å; V196-F198 HydrophobicContact CB-CE2 4.19Å; V196-F198 HydrophobicContact CG2-CD2 4.29Å; V196-F198 HydrophobicContact CG2-CE2 3.67Å; V196-F198 HydrophobicContact CG2-CZ 4.48Å; V196-I294 HydrophobicContact CB-CD1 4.35Å; V196-I294 HydrophobicContact CG1-CD1 3.97Å; V196-I294 HydrophobicContact CG1-CG1 4.09Å; V196-I294 HydrophobicContact CG1-CG2 4.03Å; V196-P295 WeakPolarHBondContact CG1-O 3.37Å; V196-G297 WeakPolarHBondContact CA-O 3.38Å; V196-F299 HydrophobicContact CB-CD2 4.32Å; V196-F299 HydrophobicContact CB-CE2 4.12Å; V196-F299 HydrophobicContact CG1-CE2 3.95Å
197D98.7Very high95.7Very high4 Ų420.7 Ų20.72%0.02112%0.115CC..EExtended strand (participates in β ladder)trans-123.1117.2177.6-70.2-96.8000108.8C174 H176 P192 M193 G194 Y199 G297 T298 F299C174-D197 VanDerWaalsContact CB-OD1 3.24Å; C174-D197 WeakPolarHBondContact CB-OD1 3.22Å; C174-D197 WeakPolarHBondContact O-CA 3.37Å; H176-D197 IonicContact CD2-OD1 2.76Å; H176-D197 IonicContact CE1-OD1 3.62Å; H176-D197 IonicContact NE2-OD1 3.96Å; H176-D197 PolarHBondContact NE2-OD1 3.43Å; P192-D197 WeakPolarHBondContact CA-OD1 3.33Å; M193-D197 PolarHBondContact N-OD1 3.07Å; G194-D197 PolarHBondContact N-OD1 3.32Å; G194-D197 PolarHBondContact N-OD2 2.89Å; D197-Y199 HydrophobicContact CB-CD2 4.49Å; D197-Y199 HydrophobicContact CB-CE2 3.52Å; D197-Y199 WeakPolarHBondContact O-CD2 3.43Å; D197-Y199 WeakPolarHBondContact O-CE2 3.5Å; D197-G297 PolarHBondContact N-O 2.98Å; D197-T298 CarbonylContact O-C 3.55Å; D197-T298 WeakPolarHBondContact O-CA 3.32Å; D197-F299 PolarHBondContact O-N 2.7Å
198F98.7Very high95.4Very high0 Ų021.7 Ų21.70%013%0.127CC..EExtended strand (participates in β ladder)trans-99.6135.4179.3-68.9-84.3000111Q173 C174 I175 H176 V196 P200 A259 F285 L289 I294 F299 F301Q173-F198 HydrophobicContact CG-CD2 4.16Å; Q173-F198 HydrophobicContact CG-CE2 4.01Å; C174-F198 PolarHBondContact O-N 3.49Å; I175-F198 CarbonylContact C-O 3.57Å; I175-F198 WeakPolarHBondContact CA-O 3.32Å; I175-F198 HydrophobicContact CB-CB 4.4Å; I175-F198 HydrophobicContact CG1-CB 4.39Å; H176-F198 PolarHBondContact N-O 3.25Å; V196-F198 HydrophobicContact CB-CE2 4.19Å; V196-F198 HydrophobicContact CG2-CD2 4.29Å; V196-F198 HydrophobicContact CG2-CE2 3.67Å; V196-F198 HydrophobicContact CG2-CZ 4.48Å; F198-P200 WeakPolarHBondContact O-CD 3.4Å; F198-A259 HydrophobicContact CD1-CB 3.95Å; F198-A259 HydrophobicContact CE1-CB 3.7Å; F198-F285 HydrophobicContact CB-CD2 4.24Å; F198-F285 HydrophobicContact CD1-CB 3.7Å; F198-F285 HydrophobicContact CD1-CD2 4.23Å; F198-F285 HydrophobicContact CD1-CG 4.4Å; F198-F285 AromaticContact CD2-CD2 3.73Å; F198-F285 HydrophobicContact CD2-CD2 3.73Å; F198-F285 HydrophobicContact CE1-CB 3.7Å; F198-F285 HydrophobicContact CE2-CD2 4.04Å; F198-F285 HydrophobicContact CG-CB 4.17Å; F198-F285 AromaticContact CG-CD2 3.81Å; F198-F285 HydrophobicContact CG-CD2 3.81Å; F198-F285 HydrophobicContact CG-CG 4.39Å; F198-F285 HydrophobicContact CZ-CB 4.17Å; F198-F285 HydrophobicContact CZ-CD2 4.41Å; F198-L289 HydrophobicContact CE2-CD1 3.92Å; F198-L289 HydrophobicContact CZ-CD1 3.86Å; F198-I294 HydrophobicContact CE1-CD1 4.26Å; F198-I294 HydrophobicContact CE2-CD1 4.28Å; F198-I294 HydrophobicContact CZ-CD1 3.5Å; F198-I294 VanDerWaalsContact CZ-CD1 3.5Å; F198-F299 CarbonylContact C-O 3.58Å; F198-F299 WeakPolarHBondContact CA-O 3.46Å; F198-F299 HydrophobicContact CD1-CB 3.62Å; F198-F299 HydrophobicContact CD1-CG 4.38Å; F198-F299 HydrophobicContact CE1-CB 3.81Å; F198-F299 HydrophobicContact CE1-CD2 4.36Å; F198-F299 HydrophobicContact CE1-CG 4.13Å; F198-F299 HydrophobicContact CG-CB 4.44Å; F198-F301 HydrophobicContact CB-CE1 4.05Å; F198-F301 HydrophobicContact CD1-CD1 4.29Å; F198-F301 HydrophobicContact CD1-CE1 4.08Å; F198-F301 HydrophobicContact CG-CE1 4.42Å
199Y98.6Very high94.8Very high5 Ų522 Ų222%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-12680.2-177.1-63.1-92000110.3H176 L190 D197 N201 G202 T298 F299 Y300H176-Y199 HydrophobicContact CB-CD1 3.76Å; H176-Y199 HydrophobicContact CB-CE1 3.76Å; H176-Y199 AromaticContact CD2-CE1 3.48Å; H176-Y199 VanDerWaalsContact CD2-CE1 3.48Å; H176-Y199 WeakPolarHBondContact CD2-CE1 3.16Å; H176-Y199 AromaticContact CD2-CZ 3.48Å; H176-Y199 VanDerWaalsContact CD2-CZ 3.48Å; H176-Y199 AromaticContact CG-CE1 3.73Å; L190-Y199 HydrophobicContact CB-CE1 4.37Å; L190-Y199 HydrophobicContact CD2-CD1 3.79Å; L190-Y199 HydrophobicContact CD2-CE1 3.87Å; L190-Y199 PolarHBondContact O-OH 2.97Å; D197-Y199 HydrophobicContact CB-CD2 4.49Å; D197-Y199 HydrophobicContact CB-CE2 3.52Å; D197-Y199 WeakPolarHBondContact O-CD2 3.43Å; D197-Y199 WeakPolarHBondContact O-CE2 3.5Å; Y199-N201 PolarHBondContact O-N 3.26Å; Y199-G202 PolarHBondContact O-N 3.4Å; Y199-G202 VanDerWaalsContact O-N 3.1Å; Y199-T298 HydrophobicContact CD2-CG2 3.65Å; Y199-T298 HydrophobicContact CE2-CG2 3.33Å; Y199-F299 PolarHBondContact N-O 3.44Å; Y199-Y300 VanDerWaalsContact CB-CD1 3.47Å; Y199-Y300 HydrophobicContact CD2-CE1 4.13Å; Y199-Y300 HydrophobicContact CD2-CE2 4.47Å; Y199-Y300 HydrophobicContact CG-CD1 4.27Å; Y199-Y300 AromaticContact CG-CE1 3.85Å; Y199-Y300 HydrophobicContact CG-CE1 3.85Å
200P97.3Very high93.9Very high0 Ų024 Ų240%014%0.142CC..EExtended strand (participates in β ladder)trans-59.7129.6176.3-13.526.9000109.7I175 H176 T177 F198 G202 G203 Q206 L241 F301 T303I175-P200 HydrophobicContact CD1-CG 3.63Å; I175-P200 HydrophobicContact CG1-CG 3.71Å; H176-P200 WeakPolarHBondContact O-CD 3.49Å; T177-P200 HydrophobicContact CG2-CG 3.89Å; F198-P200 WeakPolarHBondContact O-CD 3.4Å; P200-G202 PolarHBondContact O-N 3.16Å; P200-G202 VanDerWaalsContact O-N 3.13Å; P200-G203 WeakPolarHBondContact O-CA 3.33Å; P200-G203 PolarHBondContact O-N 3.04Å; P200-Q206 PolarHBondContact O-NE2 3.25Å; P200-Q206 PolarHBondContact O-OE1 3.3Å; P200-L241 HydrophobicContact CB-CD1 3.86Å; P200-L241 HydrophobicContact CG-CD1 3.63Å; P200-F301 CarbonylContact C-O 3.48Å; P200-F301 WeakPolarHBondContact CA-O 3.27Å; P200-F301 HydrophobicContact CB-CD2 4.22Å; P200-F301 HydrophobicContact CB-CE1 4.29Å; P200-F301 HydrophobicContact CB-CE2 3.69Å; P200-F301 HydrophobicContact CB-CZ 3.75Å; P200-F301 HydrophobicContact CG-CE1 3.87Å; P200-F301 HydrophobicContact CG-CE2 3.96Å; P200-F301 HydrophobicContact CG-CZ 3.47Å; P200-F301 VanDerWaalsContact CG-CZ 3.47Å; P200-T303 HydrophobicContact CB-CG2 4.1Å
201N94.8Very high92.5Very high37 Ų3727.6 Ų27.620%0.19815%0.151CC..THydrogen-bonded Turntrans53.329.9-176.8-51.5-61.6000113.5Y199 G203 Q206 F301 A302 T303Y199-N201 PolarHBondContact O-N 3.26Å; N201-G203 VanDerWaalsContact C-N 3.33Å; N201-Q206 PolarHBondContact ND2-OE1 3.5Å; N201-F301 PolarHBondContact N-O 3.43Å; N201-A302 WeakPolarHBondContact OD1-CA 3.49Å; N201-T303 PolarHBondContact ND2-OG1 3.22Å; N201-T303 PolarHBondContact OD1-N 3.47Å
202G94.9Very high90.6Very high3 Ų331.9 Ų31.93%0.03118%0.176CC..THydrogen-bonded Turntrans84.61.3-175.200000114.7Y199 P200 K204Y199-G202 PolarHBondContact O-N 3.4Å; Y199-G202 VanDerWaalsContact O-N 3.1Å; P200-G202 PolarHBondContact O-N 3.16Å; P200-G202 VanDerWaalsContact O-N 3.13Å; G202-K204 PolarHBondContact O-N 3.44Å; G202-K204 VanDerWaalsContact O-N 3.09Å
203G96Very high88.5Confident0 Ų029.3 Ų29.30%016%0.159CC..SBendtrans70.7-0.7170.500000117H176 T177 D178 G179 P200 N201H176-G203 WeakPolarHBondContact O-CA 3.24Å; T177-G203 CarbonylContact C-O 3.57Å; T177-G203 VanDerWaalsContact C-O 3.28Å; D178-G203 PolarHBondContact N-O 3.16Å; G179-G203 PolarHBondContact N-O 3.28Å; P200-G203 WeakPolarHBondContact O-CA 3.33Å; P200-G203 PolarHBondContact O-N 3.04Å; N201-G203 VanDerWaalsContact C-N 3.33Å
204K93.3Very high86.4Confident82 Ų8236.8 Ų36.836%0.35719%0.191SC..SBendtrans-79.7-45.5179.1-71.6167.9-174.21630112.9D178 G179 K180 L190 G202 E269D178-K204 CarbonylContact C-O 3.5Å; G179-K204 PolarHBondContact N-O 3.14Å; K180-K204 HydrophobicContact CB-CB 4.32Å; K180-K204 PolarHBondContact N-O 3.07Å; L190-K204 HydrophobicContact CD1-CG 3.85Å; L190-K204 HydrophobicContact CD2-CG 4.37Å; G202-K204 PolarHBondContact O-N 3.44Å; G202-K204 VanDerWaalsContact O-N 3.09Å; K204-E269 IonicContact NZ-OE1 2.98Å; K204-E269 PolarHBondContact NZ-OE1 2.71Å
205A90.4Very high84Confident24 Ų2444.8 Ų44.820%0.19823%0.226CC..  trans-158.8152.1-177.600000109.4
206Q91.8Very high81.7Confident3 Ų344.8 Ų44.81%0.01423%0.228CC..  trans-106.1152.6-173.2-56.1-55.5-45.300112.6T177 P200 N201 C209 S234 R237T177-Q206 HydrophobicContact CG2-CG 4.19Å; T177-Q206 WeakPolarHBondContact O-CG 3.32Å; T177-Q206 PolarHBondContact O-NE2 3.09Å; P200-Q206 PolarHBondContact O-NE2 3.25Å; P200-Q206 PolarHBondContact O-OE1 3.3Å; N201-Q206 PolarHBondContact ND2-OE1 3.5Å; Q206-C209 WeakPolarHBondContact O-CB 3.19Å; Q206-C209 PolarHBondContact O-N 2.95Å; Q206-S234 PolarHBondContact N-OG 2.99Å; Q206-R237 HydrophobicContact CB-CB 4.15Å; Q206-R237 HydrophobicContact CB-CG 4.01Å; Q206-R237 HydrophobicContact CG-CB 3.7Å; Q206-R237 HydrophobicContact CG-CG 3.75Å
207L89Confident79.5Confident37 Ų3746.2 Ų46.219%0.19424%0.235CC..THydrogen-bonded Turntrans-63.9145.4178.5-56.1-177.7000111.1C209 R237 T303 N305L207-C209 PolarHBondContact O-N 2.8Å; L207-R237 PolarHBondContact O-NH2 3.06Å; L207-T303 VanDerWaalsContact CD1-O 3.22Å; L207-T303 WeakPolarHBondContact CD1-O 3.44Å; L207-N305 HydrophobicContact CB-CB 3.96Å; L207-N305 HydrophobicContact CD1-CB 4.01Å
208G83.3Confident77.1Confident30 Ų3052.5 Ų52.531%0.30927%0.268SS..THydrogen-bonded Turntrans78.8-20-172.300000114.4N305 Y309G208-N305 PolarHBondContact N-OD1 3.47Å; G208-N305 VanDerWaalsContact N-OD1 3.16Å; G208-Y309 WeakPolarHBondContact O-CE1 2.91Å; G208-Y309 PolarHBondContact O-OH 2.88Å
209C83.8Confident74.9Confident10 Ų1057 Ų577%0.06829%0.292CS..SBendtrans-83.9146.1-178.2-61.30000113.5Q206 L207 R211 C233 S234Q206-C209 WeakPolarHBondContact O-CB 3.19Å; Q206-C209 PolarHBondContact O-N 2.95Å; L207-C209 PolarHBondContact O-N 2.8Å; C209-R211 PolarHBondContact O-N 3.23Å; C209-C233 VanDerWaalsContact CA-SG 3.51Å; C209-C233 HydrophobicContact CB-CB 3.71Å; C209-C233 WeakPolarHBondContact CB-SG 3.33Å; C209-C233 WeakPolarHBondContact SG-CB 3.47Å; C209-C233 PolarHBondContact SG-O 2.84Å; C209-C233 CovalentContact SG-SG 2.05Å; C209-C233 PolarHBondContact SG-SG 2.93Å; C209-S234 WeakPolarHBondContact CB-OG 3.46Å; C209-S234 PolarHBondContact SG-N 2.76Å
210P76.7Confident72.8Confident52 Ų5257 Ų5734%0.33829%0.293SS..  trans-58.4127.2173.1-24.234.1000112.4T230P210-T230 HydrophobicContact CG-CG2 3.99Å
211R67.2Low70.9Confident135 Ų13558.6 Ų58.651%0.50930%0.298SS..  trans-88.2-29.3-178-65-175.1-178171.43.9114.3C209 V213C209-R211 PolarHBondContact O-N 3.23Å; R211-V213 PolarHBondContact O-N 3.47Å
212N56.8Low69Low140 Ų14064 Ų6475%0.74932%0.32SS*.  trans-103.148.9-164.9-70.4-20.5000114.2K214N212-K214 PolarHBondContact O-N 3.48Å
213V54.3Low67.1Low16 Ų1666.6 Ų66.610%0.09733%0.333CS..  trans-86.853.4175.4-65.90000110.3R211 E215 V216 L231R211-V213 PolarHBondContact O-N 3.47Å; V213-E215 PolarHBondContact O-N 3.43Å; V213-V216 HydrophobicContact CB-CG2 3.85Å; V213-V216 HydrophobicContact CG1-CG2 4.37Å; V213-L231 HydrophobicContact CB-CD2 3.98Å; V213-L231 HydrophobicContact CG1-CD2 3.16Å
214K53.2Low65.2Low157 Ų15770.9 Ų70.968%0.68336%0.356SS*.THydrogen-bonded Turntrans-62.8-27.6-174.2-76.4-172.8175.9-177.20113.4N212N212-K214 PolarHBondContact O-N 3.48Å
215E48.2Very low63.6Low178 Ų17871.1 Ų71.183%0.83237%0.368SS*.THydrogen-bonded Turntrans-107.4-3.3-165.6-68.9179.6169.600114.5V213 I217V213-E215 PolarHBondContact O-N 3.43Å; E215-I217 VanDerWaalsContact C-N 3.28Å; E215-I217 PolarHBondContact O-N 3.2Å
216V50.5Low61.9Low27 Ų2773.2 Ų73.216%0.16438%0.382CS..THydrogen-bonded Turntrans-87.46.2-162.3-147.40000114.4V213 L218 D219 L220 L223 L231V213-V216 HydrophobicContact CB-CG2 3.85Å; V213-V216 HydrophobicContact CG1-CG2 4.37Å; V216-L218 PolarHBondContact O-N 2.89Å; V216-D219 HydrophobicContact CG1-CB 4.43Å; V216-D219 PolarHBondContact O-N 3.08Å; V216-L220 HydrophobicContact CB-CD1 4.41Å; V216-L220 HydrophobicContact CB-CD2 4.39Å; V216-L220 HydrophobicContact CB-CG 3.86Å; V216-L220 HydrophobicContact CG1-CB 4.46Å; V216-L220 HydrophobicContact CG1-CD2 4.13Å; V216-L220 HydrophobicContact CG1-CG 3.77Å; V216-L220 WeakPolarHBondContact O-CA 3.43Å; V216-L220 WeakPolarHBondContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CG 2.9Å; V216-L220 PolarHBondContact O-N 3.26Å; V216-L223 HydrophobicContact CG1-CD1 3.58Å; V216-L231 HydrophobicContact CB-CD1 4.23Å; V216-L231 HydrophobicContact CG1-CD1 3.52Å; V216-L231 HydrophobicContact CG2-CD1 4.31Å; V216-L231 HydrophobicContact CG2-CD2 3.98Å
217I52.1Low60Low31 Ų3175.4 Ų75.416%0.15940%0.395CS..THydrogen-bonded Turntrans-61-41.7-166.5-63.5177.5000113.8Y182 M183 E215Y182-I217 HydrophobicContact CD1-CG2 3.97Å; Y182-I217 HydrophobicContact CE1-CG2 3.27Å; Y182-I217 HydrophobicContact CE2-CG2 3.91Å; Y182-I217 VanDerWaalsContact O-CD1 3.22Å; Y182-I217 WeakPolarHBondContact O-CD1 3.42Å; Y182-I217 VanDerWaalsContact OH-CG2 3.25Å; Y182-I217 WeakPolarHBondContact OH-CG2 3.33Å; Y182-I217 PolarHBondContact OH-O 3.3Å; Y182-I217 VanDerWaalsContact OH-O 3.08Å; M183-I217 VanDerWaalsContact CA-CD1 3.5Å; M183-I217 HydrophobicContact SD-CD1 4.19Å; E215-I217 VanDerWaalsContact C-N 3.28Å; E215-I217 PolarHBondContact O-N 3.2Å
218L47.9Very low58.7Low136 Ų13676 Ų7671%0.71240%0.396SS*.THydrogen-bonded Turntrans-83.6-35.8178.2-83.1158.6000111.8V216 F222V216-L218 PolarHBondContact O-N 2.89Å; L218-F222 WeakPolarHBondContact O-CD2 3.17Å
219D52.5Low57.6Low94 Ų9478.5 Ų78.550%0.50340%0.4SS..THydrogen-bonded Turntrans-86.9-21.3-171.1-64.6-14000112.9V216 W221 F222 L223V216-D219 HydrophobicContact CG1-CB 4.43Å; V216-D219 PolarHBondContact O-N 3.08Å; D219-W221 PolarHBondContact O-N 3.23Å; D219-F222 CarbonylContact O-C 3.48Å; D219-F222 WeakPolarHBondContact O-CA 3.26Å; D219-F222 PolarHBondContact O-N 3.48Å; D219-L223 WeakPolarHBondContact O-CG 3.25Å; D219-L223 PolarHBondContact O-N 3.34Å
220L54.6Low56.5Low6 Ų681.5 Ų81.53%0.03142%0.418CS..THydrogen-bonded Turntrans-44.7-39.5-178.7-95166.8000112.3L187 V216 F228 L231L187-L220 HydrophobicContact CD2-CD1 4.23Å; V216-L220 HydrophobicContact CB-CD1 4.41Å; V216-L220 HydrophobicContact CB-CD2 4.39Å; V216-L220 HydrophobicContact CB-CG 3.86Å; V216-L220 HydrophobicContact CG1-CB 4.46Å; V216-L220 HydrophobicContact CG1-CD2 4.13Å; V216-L220 HydrophobicContact CG1-CG 3.77Å; V216-L220 WeakPolarHBondContact O-CA 3.43Å; V216-L220 WeakPolarHBondContact O-CB 3.31Å; V216-L220 WeakPolarHBondContact O-CG 2.9Å; V216-L220 PolarHBondContact O-N 3.26Å; L220-F228 WeakPolarHBondContact O-CD2 3.36Å; L220-L231 HydrophobicContact CD2-CB 3.63Å; L220-L231 HydrophobicContact CD2-CD1 3.55Å; L220-L231 HydrophobicContact CD2-CG 4.25Å; L220-L231 HydrophobicContact CG-CD1 4.49Å
221W57Low55.9Low32 Ų3280.3 Ų80.312%0.12141%0.409CS..THydrogen-bonded Turntrans-83-15.5-176.8-43123.5000114.5F51 P83 Y86 Y182 L187 D219 F228F51-W221 AromaticContact CD1-CE3 3.59Å; F51-W221 HydrophobicContact CD1-CE3 3.59Å; F51-W221 HydrophobicContact CD1-CH2 4.25Å; F51-W221 AromaticContact CD1-CZ3 3.38Å; F51-W221 HydrophobicContact CD1-CZ3 3.38Å; F51-W221 AromaticContact CE1-CD2 3.88Å; F51-W221 HydrophobicContact CE1-CD2 3.88Å; F51-W221 AromaticContact CE1-CE3 3.17Å; F51-W221 HydrophobicContact CE1-CE3 3.17Å; F51-W221 HydrophobicContact CE1-CH2 4.49Å; F51-W221 AromaticContact CE1-CZ3 3.52Å; F51-W221 HydrophobicContact CE1-CZ3 3.52Å; F51-W221 HydrophobicContact CG-CZ3 4.39Å; F51-W221 HydrophobicContact CZ-CD2 4.43Å; F51-W221 HydrophobicContact CZ-CE3 4.11Å; P83-W221 WeakPolarHBondContact CB-O 3.41Å; Y86-W221 AromaticContact CD2-CH2 3.67Å; Y86-W221 HydrophobicContact CD2-CH2 3.67Å; Y86-W221 AromaticContact CD2-CZ2 3.86Å; Y86-W221 HydrophobicContact CD2-CZ2 3.86Å; Y86-W221 HydrophobicContact CD2-CZ3 4.28Å; Y86-W221 HydrophobicContact CE2-CH2 4.12Å; Y86-W221 HydrophobicContact CE2-CZ2 4.47Å; Y86-W221 HydrophobicContact CG-CH2 4.19Å; Y86-W221 AromaticContact CG-CZ2 3.89Å; Y86-W221 HydrophobicContact CG-CZ2 3.89Å; Y182-W221 HydrophobicContact CE2-CZ2 4.45Å; L187-W221 HydrophobicContact CD2-CH2 3.97Å; D219-W221 PolarHBondContact O-N 3.23Å; W221-F228 HydrophobicContact CE3-CE2 4.2Å; W221-F228 HydrophobicContact CZ3-CE2 4.14Å
222F55Low56.6Low151 Ų15174.5 Ų74.566%0.66239%0.388SS*.THydrogen-bonded Turntrans-100-7.2176.1-63.1-77000113P84 L218 D219P84-F222 HydrophobicContact CB-CD1 4.22Å; P84-F222 HydrophobicContact CB-CE1 3.84Å; P84-F222 HydrophobicContact CB-CZ 4.22Å; P84-F222 HydrophobicContact CG-CE1 4.3Å; L218-F222 WeakPolarHBondContact O-CD2 3.17Å; D219-F222 CarbonylContact O-C 3.48Å; D219-F222 WeakPolarHBondContact O-CA 3.26Å; D219-F222 PolarHBondContact O-N 3.48Å
223L55.5Low58Low57 Ų5768.6 Ų68.630%0.29836%0.358SS..SBendtrans-70.3150.1-179.5-72.4176.9000112.6V216 D219 T227 L231V216-L223 HydrophobicContact CG1-CD1 3.58Å; D219-L223 WeakPolarHBondContact O-CG 3.25Å; D219-L223 PolarHBondContact O-N 3.34Å; L223-T227 HydrophobicContact CD1-CG2 3.73Å; L223-T227 HydrophobicContact CD2-CG2 4.07Å; L223-T227 HydrophobicContact CG-CG2 4.36Å; L223-L231 HydrophobicContact CD1-CD1 3.06Å; L223-L231 HydrophobicContact CD1-CG 4.49Å
224N56.2Low59.7Low91 Ų9168 Ų6849%0.48735%0.354SS..  trans-65.1162.8170.171.854.8000111S226 T227 F228N224-S226 VanDerWaalsContact C-N 3.32Å; N224-S226 PolarHBondContact O-N 2.97Å; N224-S226 PolarHBondContact OD1-N 3Å; N224-S226 VanDerWaalsContact OD1-N 3.13Å; N224-S226 PolarHBondContact OD1-OG 2.68Å; N224-T227 PolarHBondContact ND2-OG1 3.44Å; N224-T227 PolarHBondContact O-N 3.46Å; N224-T227 PolarHBondContact OD1-N 3.4Å; N224-T227 PolarHBondContact OD1-OG1 3.41Å; N224-T227 VanDerWaalsContact OD1-OG1 3.11Å; N224-F228 WeakPolarHBondContact O-CB 3.41Å; N224-F228 PolarHBondContact O-N 3.41Å
225S59.2Low61.6Low87 Ų8760.8 Ų60.861%0.60832%0.323SS*.Hα-helixtrans-55.2-41.9-174.650.80000113.6F228 E229S225-F228 PolarHBondContact O-N 3.07Å; S225-E229 WeakPolarHBondContact O-CB 3.38Å; S225-E229 VanDerWaalsContact O-CG 3.27Å; S225-E229 WeakPolarHBondContact O-CG 3.34Å; S225-E229 PolarHBondContact O-N 2.98Å
226S55.4Low63.7Low68 Ų6854.3 Ų54.348%0.47630%0.3SS..Hα-helixtrans-67.5-40.9-177.871.50000112.9N224 T230N224-S226 VanDerWaalsContact C-N 3.32Å; N224-S226 PolarHBondContact O-N 2.97Å; N224-S226 PolarHBondContact OD1-N 3Å; N224-S226 VanDerWaalsContact OD1-N 3.13Å; N224-S226 PolarHBondContact OD1-OG 2.68Å; S226-T230 PolarHBondContact O-N 3.11Å; S226-T230 VanDerWaalsContact O-N 3.16Å; S226-T230 PolarHBondContact O-OG1 3.3Å
227T52.5Low65.7Low49 Ų4953.3 Ų53.330%0.30129%0.293SS..Hα-helixtrans-71.6-40.7176.9-41.10000110.2L223 N224 E229 T230 L231L223-T227 HydrophobicContact CD1-CG2 3.73Å; L223-T227 HydrophobicContact CD2-CG2 4.07Å; L223-T227 HydrophobicContact CG-CG2 4.36Å; N224-T227 PolarHBondContact ND2-OG1 3.44Å; N224-T227 PolarHBondContact O-N 3.46Å; N224-T227 PolarHBondContact OD1-N 3.4Å; N224-T227 PolarHBondContact OD1-OG1 3.41Å; N224-T227 VanDerWaalsContact OD1-OG1 3.11Å; T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 PolarHBondContact O-N 2.93Å; T227-T230 PolarHBondContact O-N 3.02Å; T227-L231 HydrophobicContact CG2-CD1 3.96Å; T227-L231 HydrophobicContact CG2-CG 4.42Å; T227-L231 WeakPolarHBondContact O-CD1 3.29Å; T227-L231 WeakPolarHBondContact O-CG 3.33Å; T227-L231 PolarHBondContact O-N 2.96Å
228F60.1Low67.8Low48 Ų4851.8 Ų51.821%0.21129%0.285CS..Hα-helixtrans-57.8-45.1173.9-177.2-97.8000112.1L220 W221 N224 S225 T230 L231 T232L220-F228 WeakPolarHBondContact O-CD2 3.36Å; W221-F228 HydrophobicContact CE3-CE2 4.2Å; W221-F228 HydrophobicContact CZ3-CE2 4.14Å; N224-F228 WeakPolarHBondContact O-CB 3.41Å; N224-F228 PolarHBondContact O-N 3.41Å; S225-F228 PolarHBondContact O-N 3.07Å; F228-T230 PolarHBondContact O-N 2.87Å; F228-L231 PolarHBondContact O-N 2.93Å; F228-T232 HydrophobicContact CD1-CG2 4.15Å; F228-T232 HydrophobicContact CD2-CG2 4.06Å; F228-T232 HydrophobicContact CE1-CG2 3.82Å; F228-T232 HydrophobicContact CE2-CG2 3.72Å; F228-T232 HydrophobicContact CG-CG2 4.27Å; F228-T232 HydrophobicContact CZ-CG2 3.59Å; F228-T232 WeakPolarHBondContact O-CB 3.37Å; F228-T232 VanDerWaalsContact O-CG2 3.26Å; F228-T232 WeakPolarHBondContact O-CG2 3.49Å; F228-T232 PolarHBondContact O-N 3.25Å; F228-T232 PolarHBondContact O-OG1 3.12Å
229E61Low70.1Confident83 Ų8345.3 Ų45.339%0.38825%0.251SS..Hα-helixtrans-59.9-44.6176.7-77.8175.8-163.500112.3K56 S225 T227 L231 T232 C233K56-E229 WeakPolarHBondContact CE-OE1 3.4Å; K56-E229 IonicContact NZ-OE1 3.8Å; K56-E229 PolarHBondContact NZ-OE1 3.49Å; K56-E229 IonicContact NZ-OE2 3.02Å; K56-E229 PolarHBondContact NZ-OE2 3.29Å; S225-E229 WeakPolarHBondContact O-CB 3.38Å; S225-E229 VanDerWaalsContact O-CG 3.27Å; S225-E229 WeakPolarHBondContact O-CG 3.34Å; S225-E229 PolarHBondContact O-N 2.98Å; T227-E229 VanDerWaalsContact C-N 3.34Å; T227-E229 PolarHBondContact O-N 2.93Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 2.83Å; E229-T232 PolarHBondContact O-N 2.93Å; E229-T232 PolarHBondContact O-OG1 3.31Å; E229-C233 PolarHBondContact O-N 3.39Å
230T60.2Low72.1Confident74 Ų7442.3 Ų42.345%0.45424%0.24SC..Hα-helixtrans-62.6-41.3178.9-56.70000111.7P210 S226 T227 F228 C233P210-T230 HydrophobicContact CG-CG2 3.99Å; S226-T230 PolarHBondContact O-N 3.11Å; S226-T230 VanDerWaalsContact O-N 3.16Å; S226-T230 PolarHBondContact O-OG1 3.3Å; T227-T230 PolarHBondContact O-N 3.02Å; F228-T230 PolarHBondContact O-N 2.87Å; T230-C233 VanDerWaalsContact O-CB 3.24Å; T230-C233 WeakPolarHBondContact O-CB 3.44Å; T230-C233 PolarHBondContact O-N 3.32Å
231L64.3Low74Confident27 Ų2742 Ų4214%0.14124%0.238CC..Hα-helixtrans-78.8-29.5-176.1-62.5168.8000113V213 V216 L220 L223 T227 F228 E229 C233V213-L231 HydrophobicContact CB-CD2 3.98Å; V213-L231 HydrophobicContact CG1-CD2 3.16Å; V216-L231 HydrophobicContact CB-CD1 4.23Å; V216-L231 HydrophobicContact CG1-CD1 3.52Å; V216-L231 HydrophobicContact CG2-CD1 4.31Å; V216-L231 HydrophobicContact CG2-CD2 3.98Å; L220-L231 HydrophobicContact CD2-CB 3.63Å; L220-L231 HydrophobicContact CD2-CD1 3.55Å; L220-L231 HydrophobicContact CD2-CG 4.25Å; L220-L231 HydrophobicContact CG-CD1 4.49Å; L223-L231 HydrophobicContact CD1-CD1 3.06Å; L223-L231 HydrophobicContact CD1-CG 4.49Å; T227-L231 HydrophobicContact CG2-CD1 3.96Å; T227-L231 HydrophobicContact CG2-CG 4.42Å; T227-L231 WeakPolarHBondContact O-CD1 3.29Å; T227-L231 WeakPolarHBondContact O-CG 3.33Å; T227-L231 PolarHBondContact O-N 2.96Å; F228-L231 PolarHBondContact O-N 2.93Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 2.83Å; L231-C233 VanDerWaalsContact C-N 3.26Å; L231-C233 PolarHBondContact O-N 2.88Å
232T81.3Confident75.9Confident12 Ų1240.5 Ų40.57%0.07423%0.232CC..THydrogen-bonded Turntrans-87.79175.661.30000112.6L187 F228 E229 S234 H235 A236L187-T232 HydrophobicContact CD1-CG2 3.44Å; L187-T232 VanDerWaalsContact CD1-CG2 3.44Å; F228-T232 HydrophobicContact CD1-CG2 4.15Å; F228-T232 HydrophobicContact CD2-CG2 4.06Å; F228-T232 HydrophobicContact CE1-CG2 3.82Å; F228-T232 HydrophobicContact CE2-CG2 3.72Å; F228-T232 HydrophobicContact CG-CG2 4.27Å; F228-T232 HydrophobicContact CZ-CG2 3.59Å; F228-T232 WeakPolarHBondContact O-CB 3.37Å; F228-T232 VanDerWaalsContact O-CG2 3.26Å; F228-T232 WeakPolarHBondContact O-CG2 3.49Å; F228-T232 PolarHBondContact O-N 3.25Å; F228-T232 PolarHBondContact O-OG1 3.12Å; E229-T232 PolarHBondContact O-N 2.93Å; E229-T232 PolarHBondContact O-OG1 3.31Å; T232-S234 PolarHBondContact O-N 2.8Å; T232-H235 CarbonylContact O-C 3.56Å; T232-H235 WeakPolarHBondContact O-CA 3.36Å; T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.48Å; T232-H235 PolarHBondContact O-N 3.11Å; T232-A236 WeakPolarHBondContact O-CB 3.5Å; T232-A236 PolarHBondContact O-N 3.32Å
233C86.5Confident77.8Confident16 Ų1634.7 Ų34.711%0.10821%0.208CC..THydrogen-bonded Turntrans-50.6-47.8-177.9174.50000114.1C209 E229 T230 L231 H235 R237 Y309C209-C233 VanDerWaalsContact CA-SG 3.51Å; C209-C233 HydrophobicContact CB-CB 3.71Å; C209-C233 WeakPolarHBondContact CB-SG 3.33Å; C209-C233 WeakPolarHBondContact SG-CB 3.47Å; C209-C233 PolarHBondContact SG-O 2.84Å; C209-C233 CovalentContact SG-SG 2.05Å; C209-C233 PolarHBondContact SG-SG 2.93Å; E229-C233 PolarHBondContact O-N 3.39Å; T230-C233 VanDerWaalsContact O-CB 3.24Å; T230-C233 WeakPolarHBondContact O-CB 3.44Å; T230-C233 PolarHBondContact O-N 3.32Å; L231-C233 VanDerWaalsContact C-N 3.26Å; L231-C233 PolarHBondContact O-N 2.88Å; C233-H235 VanDerWaalsContact C-N 3.3Å; C233-H235 PolarHBondContact O-N 3.02Å; C233-R237 PolarHBondContact O-N 3.36Å; C233-Y309 WeakPolarHBondContact SG-CD1 3.34Å; C233-Y309 WeakPolarHBondContact SG-CE1 3.22Å
234S90.8Very high79.6Confident3 Ų332.4 Ų32.42%0.02120%0.195CC..THydrogen-bonded Turntrans-66.5-37.3178.7-71.20000110.8T177 Q206 C209 T232 R237T177-S234 WeakPolarHBondContact CB-O 3.35Å; T177-S234 PolarHBondContact OG1-O 3.19Å; Q206-S234 PolarHBondContact N-OG 2.99Å; C209-S234 WeakPolarHBondContact CB-OG 3.46Å; C209-S234 PolarHBondContact SG-N 2.76Å; T232-S234 PolarHBondContact O-N 2.8Å; S234-R237 VanDerWaalsContact O-CB 3.26Å; S234-R237 WeakPolarHBondContact O-CB 3.38Å; S234-R237 PolarHBondContact O-N 2.88Å
235H93Very high81.4Confident7 Ų728.1 Ų28.13%0.03217%0.173CC..THydrogen-bonded Turntrans-65.9-47.9178.5-163.445.7000111.7F123 S124 D149 T177 D178 L187 T232 C233 R237 A238F123-H235 WeakPolarHBondContact CE2-O 3.3Å; F123-H235 AromaticContact CZ-CD2 3.54Å; F123-H235 AromaticContact CZ-NE2 3.84Å; S124-H235 WeakPolarHBondContact CB-NE2 3.09Å; S124-H235 PolarHBondContact OG-NE2 2.87Å; D149-H235 PolarHBondContact O-CE1 3.18Å; D149-H235 VanDerWaalsContact O-CE1 3.25Å; D149-H235 WeakPolarHBondContact OD2-CA 3.38Å; D149-H235 IonicContact OD2-CE1 3.78Å; D149-H235 IonicContact OD2-CG 3.13Å; D149-H235 IonicContact OD2-ND1 2.72Å; D149-H235 PolarHBondContact OD2-ND1 3.08Å; T177-H235 PolarHBondContact OG1-O 3.04Å; D178-H235 HydrophobicContact CB-CB 4.05Å; L187-H235 HydrophobicContact CB-CB 4.36Å; L187-H235 HydrophobicContact CD1-CB 4.26Å; T232-H235 CarbonylContact O-C 3.56Å; T232-H235 WeakPolarHBondContact O-CA 3.36Å; T232-H235 VanDerWaalsContact O-CB 3.27Å; T232-H235 WeakPolarHBondContact O-CB 3.48Å; T232-H235 PolarHBondContact O-N 3.11Å; C233-H235 VanDerWaalsContact C-N 3.3Å; C233-H235 PolarHBondContact O-N 3.02Å; H235-R237 PolarHBondContact O-N 3.35Å; H235-R237 VanDerWaalsContact O-N 3.11Å; H235-A238 PolarHBondContact O-N 3.18Å
236A91.7Very high83Confident41 Ų4124 Ų2434%0.33914%0.144SC..THydrogen-bonded Turntrans-68.3-6.5177.700000113.7T232 A238 P239T232-A236 WeakPolarHBondContact O-CB 3.5Å; T232-A236 PolarHBondContact O-N 3.32Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A236-P239 WeakPolarHBondContact O-CD 3.19Å; A236-P239 WeakPolarHBondContact O-CG 3.47Å
237R93.2Very high84.7Confident6 Ų627.3 Ų27.32%0.02315%0.15CC..Hα-helixtrans-69.3-31.9175.5-169.956.656.7119.212.4112.5T177 Q206 L207 C233 S234 H235 A240 L241 F313T177-R237 HydrophobicContact CG2-CB 4.21Å; T177-R237 HydrophobicContact CG2-CG 4.43Å; Q206-R237 HydrophobicContact CB-CB 4.15Å; Q206-R237 HydrophobicContact CB-CG 4.01Å; Q206-R237 HydrophobicContact CG-CB 3.7Å; Q206-R237 HydrophobicContact CG-CG 3.75Å; L207-R237 PolarHBondContact O-NH2 3.06Å; C233-R237 PolarHBondContact O-N 3.36Å; S234-R237 VanDerWaalsContact O-CB 3.26Å; S234-R237 WeakPolarHBondContact O-CB 3.38Å; S234-R237 PolarHBondContact O-N 2.88Å; H235-R237 PolarHBondContact O-N 3.35Å; H235-R237 VanDerWaalsContact O-N 3.11Å; R237-A240 PolarHBondContact O-N 3.4Å; R237-L241 HydrophobicContact CG-CD1 3.8Å; R237-L241 HydrophobicContact CG-CG 3.94Å; R237-L241 WeakPolarHBondContact O-CG 3.38Å; R237-L241 PolarHBondContact O-N 3.14Å; R237-F313 VanDerWaalsContact NH1-CZ 3.34Å
238A96.5Very high86.3Confident0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-56.9-52.9179.200000114.1L148 D149 I175 T177 H235 A236 A240 L241 Y242L148-A238 HydrophobicContact CB-CB 3.95Å; D149-A238 HydrophobicContact CB-CB 3.71Å; I175-A238 HydrophobicContact CG2-CB 3.87Å; T177-A238 HydrophobicContact CG2-CB 4.09Å; T177-A238 WeakPolarHBondContact OG1-CB 3.18Å; T177-A238 PolarHBondContact OG1-N 3.44Å; H235-A238 PolarHBondContact O-N 3.18Å; A236-A238 VanDerWaalsContact C-N 3.35Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.09Å; A238-L241 PolarHBondContact O-N 3.33Å; A238-Y242 PolarHBondContact O-N 2.05Å
239P95.7Very high86.8Confident0 Ų027.2 Ų27.20%015%0.149CC..Hα-helixtrans-64.3-34.7174.723.3-32.5000112.5W57 M61 F123 L148 A236 Y242 I243W57-P239 HydrophobicContact CB-CB 3.94Å; W57-P239 HydrophobicContact CB-CG 4.19Å; W57-P239 HydrophobicContact CD2-CB 3.71Å; W57-P239 HydrophobicContact CD2-CG 4.23Å; W57-P239 HydrophobicContact CE3-CB 4.01Å; W57-P239 HydrophobicContact CG-CB 3.65Å; W57-P239 HydrophobicContact CG-CG 3.82Å; M61-P239 HydrophobicContact CE-CB 4Å; F123-P239 HydrophobicContact CD2-CG 4.06Å; F123-P239 HydrophobicContact CE2-CG 4.15Å; L148-P239 HydrophobicContact CD1-CB 4.06Å; A236-P239 WeakPolarHBondContact O-CD 3.19Å; A236-P239 WeakPolarHBondContact O-CG 3.47Å; P239-Y242 PolarHBondContact O-N 3.19Å; P239-I243 WeakPolarHBondContact O-CB 3.26Å; P239-I243 WeakPolarHBondContact O-CD1 3.4Å; P239-I243 WeakPolarHBondContact O-CG1 3.31Å; P239-I243 PolarHBondContact O-N 3.1Å
240A93.7Very high87Confident31 Ų3130.3 Ų30.326%0.25616%0.163SC..Hα-helixtrans-63.5-43.2177.700000112.3R237 A238 E244 F313R237-A240 PolarHBondContact O-N 3.4Å; A238-A240 VanDerWaalsContact C-N 3.3Å; A238-A240 PolarHBondContact O-N 3.09Å; A240-E244 PolarHBondContact O-N 3.29Å; A240-E244 VanDerWaalsContact O-N 3.1Å; A240-F313 HydrophobicContact CB-CE2 3.82Å; A240-F313 HydrophobicContact CB-CZ 4.47Å
241L95.3Very high87Confident0 Ų031 Ų310%016%0.164CC..Hα-helixtrans-64.5-40.2174.5-71170.7000111.8I175 T177 P200 R237 A238 E244 A245 F257 F285 T303 F313I175-L241 HydrophobicContact CD1-CB 4.05Å; I175-L241 HydrophobicContact CD1-CD1 3.78Å; T177-L241 HydrophobicContact CG2-CD1 4.12Å; P200-L241 HydrophobicContact CB-CD1 3.86Å; P200-L241 HydrophobicContact CG-CD1 3.63Å; R237-L241 HydrophobicContact CG-CD1 3.8Å; R237-L241 HydrophobicContact CG-CG 3.94Å; R237-L241 WeakPolarHBondContact O-CG 3.38Å; R237-L241 PolarHBondContact O-N 3.14Å; A238-L241 PolarHBondContact O-N 3.33Å; L241-E244 PolarHBondContact O-N 3Å; L241-A245 WeakPolarHBondContact O-CB 3.05Å; L241-A245 PolarHBondContact O-N 3.43Å; L241-F257 HydrophobicContact CD2-CE1 3.6Å; L241-F257 HydrophobicContact CD2-CZ 3.64Å; L241-F285 HydrophobicContact CB-CE1 3.97Å; L241-F285 HydrophobicContact CB-CZ 4.47Å; L241-T303 HydrophobicContact CD1-CG2 4.48Å; L241-T303 HydrophobicContact CD2-CG2 3.9Å; L241-F313 HydrophobicContact CD2-CB 3.57Å; L241-F313 HydrophobicContact CD2-CD2 3.67Å; L241-F313 HydrophobicContact CD2-CG 3.91Å; L241-F313 HydrophobicContact CG-CD2 4.35Å
242Y96.7Very high86.5Confident0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-70.1-37.8179.2-166.4-114.3000112.7M61 V121 V146 L148 A238 P239 E244 A245 I246 F285 F287M61-Y242 HydrophobicContact CE-CD1 3.89Å; M61-Y242 HydrophobicContact SD-CD1 4.17Å; V121-Y242 HydrophobicContact CG1-CD1 4.47Å; V121-Y242 HydrophobicContact CG1-CE1 4.33Å; V121-Y242 HydrophobicContact CG2-CE1 4.4Å; V146-Y242 HydrophobicContact CG1-CD1 4.48Å; V146-Y242 HydrophobicContact CG1-CD2 4.14Å; V146-Y242 HydrophobicContact CG1-CE1 4.13Å; V146-Y242 HydrophobicContact CG1-CE2 3.76Å; V146-Y242 HydrophobicContact CG1-CG 4.48Å; V146-Y242 HydrophobicContact CG2-CE2 4.47Å; L148-Y242 HydrophobicContact CD2-CD1 4.25Å; L148-Y242 HydrophobicContact CD2-CD2 4.4Å; L148-Y242 HydrophobicContact CD2-CG 3.87Å; A238-Y242 PolarHBondContact O-N 2.05Å; P239-Y242 PolarHBondContact O-N 3.19Å; Y242-E244 VanDerWaalsContact C-N 3.33Å; Y242-A245 PolarHBondContact O-N 3.05Å; Y242-I246 HydrophobicContact CD1-CD1 3.89Å; Y242-I246 HydrophobicContact CD1-CG1 4.46Å; Y242-I246 HydrophobicContact CE1-CD1 3.84Å; Y242-I246 HydrophobicContact CE1-CG1 4.29Å; Y242-I246 WeakPolarHBondContact O-CG1 3.42Å; Y242-I246 PolarHBondContact O-N 2.84Å; Y242-F285 HydrophobicContact CD2-CE2 4.29Å; Y242-F285 AromaticContact CD2-CZ 3.85Å; Y242-F285 HydrophobicContact CD2-CZ 3.85Å; Y242-F287 HydrophobicContact CE1-CD2 4.46Å; Y242-F287 AromaticContact CZ-CD2 3.9Å; Y242-F287 WeakPolarHBondContact OH-CD2 3.03Å
243I95Very high85.4Confident29 Ų2945.4 Ų45.415%0.14924%0.235CC..Hα-helixtrans-59.4-46.1172.1-70.6163.7000110.4W57 P60 M61 E64 P239 A245 I246 K247W57-I243 HydrophobicContact CB-CD1 4.28Å; P60-I243 HydrophobicContact CB-CD1 4.15Å; M61-I243 HydrophobicContact CB-CD1 4.03Å; M61-I243 HydrophobicContact CB-CG1 3.77Å; M61-I243 HydrophobicContact CE-CD1 4.26Å; M61-I243 HydrophobicContact CE-CG1 3.76Å; M61-I243 HydrophobicContact CG-CG1 4.14Å; E64-I243 HydrophobicContact CG-CG2 3.96Å; P239-I243 WeakPolarHBondContact O-CB 3.26Å; P239-I243 WeakPolarHBondContact O-CD1 3.4Å; P239-I243 WeakPolarHBondContact O-CG1 3.31Å; P239-I243 PolarHBondContact O-N 3.1Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 3.42Å; I243-I246 PolarHBondContact O-N 2.91Å; I243-K247 PolarHBondContact O-N 3.38Å; I243-K247 VanDerWaalsContact O-N 3.08Å
244E93.4Very high84.4Confident8 Ų849.4 Ų49.44%0.03725%0.248CC..Hα-helixtrans-61.7-42.7176-174.1173.616000111.8A240 L241 Y242 I246 K247 T248 F257 A311 P312 F313 C314A240-E244 PolarHBondContact O-N 3.29Å; A240-E244 VanDerWaalsContact O-N 3.1Å; L241-E244 PolarHBondContact O-N 3Å; Y242-E244 VanDerWaalsContact C-N 3.33Å; E244-I246 VanDerWaalsContact C-N 3.31Å; E244-I246 PolarHBondContact O-N 2.94Å; E244-K247 WeakPolarHBondContact O-CB 3.35Å; E244-K247 PolarHBondContact O-N 2.93Å; E244-K247 VanDerWaalsContact O-N 3.09Å; E244-T248 HydrophobicContact CG-CG2 4.36Å; E244-T248 PolarHBondContact O-N 3.15Å; E244-T248 PolarHBondContact O-OG1 2.68Å; E244-F257 HydrophobicContact CB-CE2 4.39Å; E244-F257 HydrophobicContact CB-CZ 4.42Å; E244-F257 HydrophobicContact CG-CE2 4.21Å; E244-F257 HydrophobicContact CG-CZ 4.15Å; E244-A311 HydrophobicContact CG-CB 4.31Å; E244-A311 WeakPolarHBondContact OE2-CB 3.35Å; E244-P312 VanDerWaalsContact OE1-CA 3.25Å; E244-P312 WeakPolarHBondContact OE1-CA 3.43Å; E244-F313 PolarHBondContact OE1-N 3.16Å; E244-F313 WeakPolarHBondContact OE2-CB 3.07Å; E244-F313 WeakPolarHBondContact OE2-CD2 3.21Å; E244-F313 WeakPolarHBondContact OE2-CG 3.26Å; E244-F313 PolarHBondContact OE2-N 3.17Å; E244-C314 WeakPolarHBondContact OE1-CB 3.4Å; E244-C314 PolarHBondContact OE1-N 3.41Å; E244-C314 PolarHBondContact OE1-SG 3.09Å
245A93.5Very high84Confident1 Ų151 Ų511%0.00826%0.259CS..Hα-helixtrans-62-34.5175.500000113.1L241 Y242 I243 M249 F257 F285L241-A245 WeakPolarHBondContact O-CB 3.05Å; L241-A245 PolarHBondContact O-N 3.43Å; Y242-A245 PolarHBondContact O-N 3.05Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 3.42Å; A245-M249 VanDerWaalsContact O-CG 3.3Å; A245-M249 WeakPolarHBondContact O-CG 3.14Å; A245-F257 HydrophobicContact CB-CD2 4.49Å; A245-F257 HydrophobicContact CB-CE2 4.4Å; A245-F285 HydrophobicContact CB-CD1 4.35Å; A245-F285 HydrophobicContact CB-CE1 3.92Å
246I94Very high83.6Confident0 Ų052.2 Ų52.20%027%0.265CS..Hα-helixtrans-65.2-43.5172.7-65.5160.1000110.1M61 E64 L65 K68 Y242 I243 E244 F287M61-I246 HydrophobicContact CG-CD1 4.14Å; E64-I246 HydrophobicContact CB-CB 4.32Å; E64-I246 HydrophobicContact CB-CG2 3.78Å; L65-I246 HydrophobicContact CD2-CD1 3.91Å; L65-I246 HydrophobicContact CG-CD1 4.1Å; K68-I246 VanDerWaalsContact CE-O 3.29Å; K68-I246 WeakPolarHBondContact CE-O 3.37Å; K68-I246 HydrophobicContact CG-CG2 4.03Å; Y242-I246 HydrophobicContact CD1-CD1 3.89Å; Y242-I246 HydrophobicContact CD1-CG1 4.46Å; Y242-I246 HydrophobicContact CE1-CD1 3.84Å; Y242-I246 HydrophobicContact CE1-CG1 4.29Å; Y242-I246 WeakPolarHBondContact O-CG1 3.42Å; Y242-I246 PolarHBondContact O-N 2.84Å; I243-I246 PolarHBondContact O-N 2.91Å; E244-I246 VanDerWaalsContact C-N 3.31Å; E244-I246 PolarHBondContact O-N 2.94Å; I246-F287 HydrophobicContact CB-CG 4.45Å; I246-F287 HydrophobicContact CD1-CD2 4.33Å; I246-F287 HydrophobicContact CG1-CB 3.99Å; I246-F287 HydrophobicContact CG1-CD2 3.53Å; I246-F287 HydrophobicContact CG1-CE2 4.11Å; I246-F287 HydrophobicContact CG1-CG 3.81Å
247K90.7Very high83.6Confident138 Ų13850.4 Ų50.460%0.625%0.25SC*.Hα-helixtrans-64.5-42.3-176.6-173.5179.6176.5-175.20112.5I243 E244I243-K247 PolarHBondContact O-N 3.38Å; I243-K247 VanDerWaalsContact O-N 3.08Å; E244-K247 WeakPolarHBondContact O-CB 3.35Å; E244-K247 PolarHBondContact O-N 2.93Å; E244-K247 VanDerWaalsContact O-N 3.09Å
248T85Confident83.5Confident17 Ų1751.5 Ų51.510%0.10426%0.258CS..Hα-helixtrans-86.6-3.7-170.860.80000115.4E244 E250 D251 C255E244-T248 HydrophobicContact CG-CG2 4.36Å; E244-T248 PolarHBondContact O-N 3.15Å; E244-T248 PolarHBondContact O-OG1 2.68Å; T248-E250 PolarHBondContact O-N 3.13Å; T248-E250 VanDerWaalsContact O-N 3.15Å; T248-D251 PolarHBondContact O-N 2.8Å; T248-C255 WeakPolarHBondContact CB-O 3.38Å; T248-C255 HydrophobicContact CG2-CB 4.42Å; T248-C255 PolarHBondContact OG1-O 3.09Å
249M71.9Confident83.4Confident78 Ų7851.6 Ų51.638%0.38426%0.26SS..THydrogen-bonded Turntrans-60.6-23.8-177-80.9-68.9-72.100115.7A245 F287A245-M249 VanDerWaalsContact O-CG 3.3Å; A245-M249 WeakPolarHBondContact O-CG 3.14Å; M249-F287 WeakPolarHBondContact CE-O 2.91Å; M249-F287 HydrophobicContact CG-CB 3.91Å; M249-F287 HydrophobicContact CG-CD1 4.29Å
250E65.2Low83.3Confident149 Ų14951.9 Ų51.970%0.69626%0.261SS*.THydrogen-bonded Turntrans-123.610.6-175.2-71168.3-167.200112.8K68 T248K68-E250 IonicContact NZ-OE1 3.38Å; K68-E250 PolarHBondContact NZ-OE1 2.84Å; K68-E250 IonicContact NZ-OE2 2.66Å; K68-E250 PolarHBondContact NZ-OE2 3.1Å; T248-E250 PolarHBondContact O-N 3.13Å; T248-E250 VanDerWaalsContact O-N 3.15Å
251D59.8Low83.3Confident89 Ų8955.3 Ų55.348%0.47627%0.271SS..  trans-81.6126.9176.1-158.6-23.1000109.1T248 Q253 R254T248-D251 PolarHBondContact O-N 2.8Å; D251-Q253 PolarHBondContact O-N 3.15Å; D251-Q253 PolarHBondContact OD1-N 3.05Å; D251-R254 WeakPolarHBondContact O-CA 2.92Å; D251-R254 WeakPolarHBondContact O-CB 3.43Å; D251-R254 PolarHBondContact O-N 2.81Å
252D53.4Low83.3Confident172 Ų17255.7 Ų55.792%0.9227%0.274SS*.THydrogen-bonded Turntrans-60-27.4172.7-70.7-34.6000110.7R254D252-R254 PolarHBondContact O-N 3.33Å
253Q58.1Low83.1Confident168 Ų16864.3 Ų64.379%0.78531%0.312SS*.THydrogen-bonded Turntrans-90.254.8167.2-69.8-179.3700110.8D251 C255D251-Q253 PolarHBondContact O-N 3.15Å; D251-Q253 PolarHBondContact OD1-N 3.05Å; Q253-C255 PolarHBondContact O-N 3.07Å
254R67Low83Confident101 Ų10165.9 Ų65.938%0.38132%0.322SS..  trans-54.9108.1-174.5-162.6-177.1-178.4-124.6-1.8110.9D251 D252 D256D251-R254 WeakPolarHBondContact O-CA 2.92Å; D251-R254 WeakPolarHBondContact O-CB 3.43Å; D251-R254 PolarHBondContact O-N 2.81Å; D252-R254 PolarHBondContact O-N 3.33Å; R254-D256 WeakPolarHBondContact CD-OD1 3.3Å; R254-D256 WeakPolarHBondContact CD-OD2 3.06Å; R254-D256 WeakPolarHBondContact CG-OD1 3.43Å; R254-D256 WeakPolarHBondContact CG-OD2 3.42Å; R254-D256 IonicContact CZ-OD1 2.78Å; R254-D256 IonicContact CZ-OD2 3.23Å; R254-D256 IonicContact NE-OD1 2.78Å; R254-D256 PolarHBondContact NE-OD1 3.06Å; R254-D256 IonicContact NE-OD2 2.91Å; R254-D256 PolarHBondContact NE-OD2 3.16Å; R254-D256 IonicContact NH1-OD1 2.98Å; R254-D256 PolarHBondContact NH1-OD1 3.25Å; R254-D256 IonicContact NH1-OD2 3.05Å; R254-D256 PolarHBondContact NH1-OD2 2.87Å; R254-D256 IonicContact NH2-OD1 3.8Å; R254-D256 PolarHBondContact NH2-OD1 3.24Å
255C82.2Confident83Confident36 Ų3666.7 Ų66.724%0.24333%0.33CS..  trans-93.8112.2171-1740000108.7T248 Q253 C314T248-C255 WeakPolarHBondContact CB-O 3.38Å; T248-C255 HydrophobicContact CG2-CB 4.42Å; T248-C255 PolarHBondContact OG1-O 3.09Å; Q253-C255 PolarHBondContact O-N 3.07Å; C255-C314 HydrophobicContact CB-CB 4.07Å; C255-C314 WeakPolarHBondContact CB-SG 3.32Å; C255-C314 WeakPolarHBondContact SG-CB 3.34Å; C255-C314 PolarHBondContact SG-O 3.02Å; C255-C314 VanDerWaalsContact SG-O 3.37Å; C255-C314 CovalentContact SG-SG 2Å; C255-C314 PolarHBondContact SG-SG 3.24Å
256D83.3Confident82.9Confident32 Ų3272 Ų7217%0.17136%0.355CS..  trans-111.9152.1-163.9-84.4-38.9000114.3R254 F284R254-D256 WeakPolarHBondContact CD-OD1 3.3Å; R254-D256 WeakPolarHBondContact CD-OD2 3.06Å; R254-D256 WeakPolarHBondContact CG-OD1 3.43Å; R254-D256 WeakPolarHBondContact CG-OD2 3.42Å; R254-D256 IonicContact CZ-OD1 2.78Å; R254-D256 IonicContact CZ-OD2 3.23Å; R254-D256 IonicContact NE-OD1 2.78Å; R254-D256 PolarHBondContact NE-OD1 3.06Å; R254-D256 IonicContact NE-OD2 2.91Å; R254-D256 PolarHBondContact NE-OD2 3.16Å; R254-D256 IonicContact NH1-OD1 2.98Å; R254-D256 PolarHBondContact NH1-OD1 3.25Å; R254-D256 IonicContact NH1-OD2 3.05Å; R254-D256 PolarHBondContact NH1-OD2 2.87Å; R254-D256 IonicContact NH2-OD1 3.8Å; R254-D256 PolarHBondContact NH2-OD1 3.24Å; D256-F284 HydrophobicContact CB-CD1 3.64Å; D256-F284 HydrophobicContact CB-CE1 3.66Å
257F92.1Very high82.9Confident3 Ų374.6 Ų74.61%0.01337%0.367CS..EExtended strand (participates in β ladder)trans-99.770.7169.1-62.6-73.7000110.3L241 E244 A245 A259 F284 F285 F301 T303 F313 C314L241-F257 HydrophobicContact CD2-CE1 3.6Å; L241-F257 HydrophobicContact CD2-CZ 3.64Å; E244-F257 HydrophobicContact CB-CE2 4.39Å; E244-F257 HydrophobicContact CB-CZ 4.42Å; E244-F257 HydrophobicContact CG-CE2 4.21Å; E244-F257 HydrophobicContact CG-CZ 4.15Å; A245-F257 HydrophobicContact CB-CD2 4.49Å; A245-F257 HydrophobicContact CB-CE2 4.4Å; F257-A259 PolarHBondContact O-N 2.77Å; F257-F284 WeakPolarHBondContact O-CA 3.21Å; F257-F285 HydrophobicContact CB-CB 3.82Å; F257-F285 HydrophobicContact CB-CD1 4.06Å; F257-F285 HydrophobicContact CB-CG 4.46Å; F257-F285 AromaticContact CD2-CD1 3.7Å; F257-F285 HydrophobicContact CD2-CD1 3.7Å; F257-F285 HydrophobicContact CD2-CE1 4.32Å; F257-F285 HydrophobicContact CE2-CD1 4.34Å; F257-F285 AromaticContact CG-CD1 3.96Å; F257-F285 HydrophobicContact CG-CD1 3.96Å; F257-F285 PolarHBondContact O-N 2.94Å; F257-F301 HydrophobicContact CB-CD2 4.12Å; F257-F301 HydrophobicContact CB-CE2 4Å; F257-F301 HydrophobicContact CB-CG 4.48Å; F257-F301 HydrophobicContact CB-CZ 4.22Å; F257-F301 AromaticContact CD1-CD2 3.8Å; F257-F301 HydrophobicContact CD1-CD2 3.8Å; F257-F301 AromaticContact CD1-CE2 3.39Å; F257-F301 HydrophobicContact CD1-CE2 3.39Å; F257-F301 HydrophobicContact CD1-CZ 4.19Å; F257-F301 HydrophobicContact CE1-CE2 4.09Å; F257-F301 HydrophobicContact CG-CD2 4.37Å; F257-F301 AromaticContact CG-CE2 3.92Å; F257-F301 HydrophobicContact CG-CE2 3.92Å; F257-F301 HydrophobicContact CG-CZ 4.31Å; F257-T303 HydrophobicContact CE1-CG2 4.26Å; F257-F313 HydrophobicContact CE1-CB 4.01Å; F257-F313 HydrophobicContact CZ-CB 4.13Å; F257-C314 HydrophobicContact CD1-CB 4.04Å; F257-C314 HydrophobicContact CD2-CB 4.36Å; F257-C314 VanDerWaalsContact CE1-CA 3.42Å; F257-C314 HydrophobicContact CE1-CB 3.72Å; F257-C314 VanDerWaalsContact CE1-N 3.28Å; F257-C314 HydrophobicContact CE2-CB 4.06Å; F257-C314 HydrophobicContact CG-CB 4.36Å; F257-C314 HydrophobicContact CZ-CB 3.72Å
258S90.8Very high83Confident29 Ų2968.8 Ų68.820%0.20334%0.342CS..EExtended strand (participates in β ladder)trans-54.2122174.6-57.20000110.2F284 F301 Q317S258-F284 WeakPolarHBondContact OG-CE1 3.44Å; S258-F301 WeakPolarHBondContact O-CB 3.1Å; S258-Q317 PolarHBondContact O-NE2 3.12Å
259A94.2Very high83.3Confident3 Ų372.7 Ų72.73%0.02536%0.359CS..EExtended strand (participates in β ladder)trans-121.4132.2-169.800000111.2F198 F257 T283 F299 Y300 F301F198-A259 HydrophobicContact CD1-CB 3.95Å; F198-A259 HydrophobicContact CE1-CB 3.7Å; F257-A259 PolarHBondContact O-N 2.77Å; A259-T283 PolarHBondContact N-O 2.86Å; A259-F299 HydrophobicContact CB-CB 4.01Å; A259-Y300 CarbonylContact C-O 3.59Å; A259-Y300 WeakPolarHBondContact CA-O 3.33Å; A259-F301 HydrophobicContact CB-CB 4.42Å; A259-F301 HydrophobicContact CB-CD1 4.13Å
260F93.6Very high84.2Confident6 Ų674 Ų743%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-104.4125.1-172.4-58.2-80.3000110.1C262 W268 F274 M282 F299 Y300 L406F260-C262 PolarHBondContact O-N 3.07Å; F260-C262 PolarHBondContact O-SG 2.82Å; F260-C262 VanDerWaalsContact O-SG 3.38Å; F260-W268 HydrophobicContact CB-CE3 4.46Å; F260-W268 HydrophobicContact CB-CZ3 4.08Å; F260-W268 HydrophobicContact CD2-CH2 4.11Å; F260-W268 AromaticContact CD2-CZ3 3.6Å; F260-W268 HydrophobicContact CD2-CZ3 3.6Å; F260-W268 HydrophobicContact CG-CZ3 4.13Å; F260-F274 HydrophobicContact CD1-CD2 4.35Å; F260-F274 AromaticContact CD2-CD2 3.96Å; F260-F274 HydrophobicContact CD2-CD2 3.96Å; F260-F274 HydrophobicContact CD2-CE2 4.23Å; F260-F274 HydrophobicContact CE1-CD2 4.17Å; F260-F274 HydrophobicContact CE1-CE2 4.3Å; F260-F274 AromaticContact CE2-CD2 3.73Å; F260-F274 HydrophobicContact CE2-CD2 3.73Å; F260-F274 AromaticContact CE2-CE2 3.56Å; F260-F274 HydrophobicContact CE2-CE2 3.56Å; F260-F274 HydrophobicContact CG-CD2 4.27Å; F260-F274 AromaticContact CZ-CD2 3.87Å; F260-F274 HydrophobicContact CZ-CD2 3.87Å; F260-F274 AromaticContact CZ-CE2 3.62Å; F260-F274 HydrophobicContact CZ-CE2 3.62Å; F260-F274 HydrophobicContact CZ-CZ 4.48Å; F260-M282 HydrophobicContact CD1-SD 4.43Å; F260-M282 HydrophobicContact CE1-CE 3.93Å; F260-M282 HydrophobicContact CE1-SD 3.84Å; F260-M282 HydrophobicContact CZ-CE 4.49Å; F260-M282 HydrophobicContact CZ-SD 4.26Å; F260-F299 CarbonylContact O-C 3.58Å; F260-F299 VanDerWaalsContact O-CA 3.26Å; F260-F299 WeakPolarHBondContact O-CA 3.13Å; F260-Y300 WeakPolarHBondContact CD2-O 3.45Å; F260-Y300 PolarHBondContact N-O 3.23Å; F260-Y300 PolarHBondContact O-N 2.98Å; F260-L406 HydrophobicContact CD1-CD1 4.37Å; F260-L406 HydrophobicContact CE1-CD1 3.18Å; F260-L406 HydrophobicContact CE1-CG 4.47Å; F260-L406 HydrophobicContact CE2-CD1 4.2Å; F260-L406 HydrophobicContact CZ-CD1 3.07Å
261Q94.3Very high85.3Confident102 Ų10267.4 Ų67.448%0.47733%0.334SS..EExtended strand (participates in β ladder)trans-74.9123.5176.7-165.5173.312.400109.9C273 K296 T298 F299Q261-C273 WeakPolarHBondContact O-CB 3.5Å; Q261-K296 PolarHBondContact NE2-O 3.37Å; Q261-T298 WeakPolarHBondContact CA-O 3.28Å; Q261-F299 HydrophobicContact CB-CD1 3.85Å; Q261-F299 HydrophobicContact CB-CE1 3.66Å; Q261-F299 HydrophobicContact CB-CZ 4.45Å; Q261-F299 HydrophobicContact CG-CD1 4.32Å; Q261-F299 HydrophobicContact CG-CE1 3.97Å; Q261-F299 HydrophobicContact CG-CZ 4.27Å
262C94.8Very high86.8Confident8 Ų868.4 Ų68.45%0.05434%0.339CS..  trans-134.6147.3178.6-36.70000109.4F260 E267 W268 C273 T298 Y300F260-C262 PolarHBondContact O-N 3.07Å; F260-C262 PolarHBondContact O-SG 2.82Å; F260-C262 VanDerWaalsContact O-SG 3.38Å; C262-E267 HydrophobicContact CB-CB 4.45Å; C262-W268 HydrophobicContact CB-CB 4.42Å; C262-C273 HydrophobicContact CB-CB 3.74Å; C262-C273 WeakPolarHBondContact CB-SG 3.32Å; C262-C273 WeakPolarHBondContact SG-CB 3.45Å; C262-C273 CovalentContact SG-SG 2.02Å; C262-C273 PolarHBondContact SG-SG 2.79Å; C262-T298 PolarHBondContact N-O 2.78Å; C262-Y300 HydrophobicContact CB-CD2 3.67Å; C262-Y300 HydrophobicContact CB-CE2 3.71Å; C262-Y300 WeakPolarHBondContact SG-CD2 3.47Å
263K93.4Very high88.6Confident182 Ų18260.5 Ų60.579%0.79130%0.297SS*.SBendtrans-74.9-33.2179.5-60175.9-1801720111.3E267K263-E267 VanDerWaalsContact CB-OE2 3.29Å; K263-E267 WeakPolarHBondContact CB-OE2 3.26Å; K263-E267 PolarHBondContact N-OE2 2.99Å
264T92.7Very high90.2Very high61 Ų6153 Ų5337%0.37426%0.262SS..SBendtrans-138.9158.3-17870.50000111.7E266 E267 W268T264-E266 PolarHBondContact O-N 3.25Å; T264-E267 PolarHBondContact O-N 2Å; T264-E267 WeakPolarHBondContact OG1-CG 3.32Å; T264-E267 PolarHBondContact OG1-N 3.42Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; T264-W268 PolarHBondContact O-N 3.33Å
265A92Very high91.1Very high25 Ų2554.9 Ų54.921%0.20727%0.27CS..Hα-helixtrans-64-29.6172.900000112W268 E269 Y300A265-W268 WeakPolarHBondContact O-CB 3.46Å; A265-W268 PolarHBondContact O-N 3.19Å; A265-E269 WeakPolarHBondContact O-CB 3.37Å; A265-E269 VanDerWaalsContact O-CG 3.28Å; A265-E269 WeakPolarHBondContact O-CG 3.37Å; A265-E269 PolarHBondContact O-N 3.02Å; A265-Y300 WeakPolarHBondContact CA-OH 3.47Å; A265-Y300 HydrophobicContact CB-CE1 4.06Å; A265-Y300 PolarHBondContact N-OH 3.44Å; A265-Y300 VanDerWaalsContact N-OH 3.15Å
266E92.3Very high91.1Very high113 Ų11355 Ų5553%0.52827%0.271SS..Hα-helixtrans-67-40.3176.5-175-178.8174.900111.8T264 W268 E269 K270T264-E266 PolarHBondContact O-N 3.25Å; E266-W268 VanDerWaalsContact C-N 3.31Å; E266-W268 PolarHBondContact O-N 2.75Å; E266-E269 PolarHBondContact O-N 3.21Å; E266-K270 HydrophobicContact CG-CD 4.24Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 WeakPolarHBondContact O-CG 3.37Å; E266-K270 PolarHBondContact O-N 2.95Å; E266-K270 VanDerWaalsContact OE1-CE 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.42Å; E266-K270 IonicContact OE1-NZ 2.71Å; E266-K270 PolarHBondContact OE1-NZ 3.23Å
267E94Very high90.9Very high55 Ų5555.3 Ų55.326%0.25727%0.274SS..Hα-helixtrans-60.8-41.6173.5-75.2175.3-176.700111.5C262 K263 T264 K270 G271 L272C262-E267 HydrophobicContact CB-CB 4.45Å; K263-E267 VanDerWaalsContact CB-OE2 3.29Å; K263-E267 WeakPolarHBondContact CB-OE2 3.26Å; K263-E267 PolarHBondContact N-OE2 2.99Å; T264-E267 PolarHBondContact O-N 2Å; T264-E267 WeakPolarHBondContact OG1-CG 3.32Å; T264-E267 PolarHBondContact OG1-N 3.42Å; T264-E267 VanDerWaalsContact OG1-N 3.13Å; E267-K270 PolarHBondContact O-N 2.66Å; E267-G271 PolarHBondContact O-N 3.05Å; E267-G271 VanDerWaalsContact O-N 3.16Å; E267-L272 HydrophobicContact CB-CB 4.33Å; E267-L272 HydrophobicContact CB-CD1 4.5Å; E267-L272 HydrophobicContact CG-CD1 4.22Å; E267-L272 PolarHBondContact O-N 2.79Å
268W93Very high90.2Very high16 Ų1660 Ų606%0.06131%0.313CS..Hα-helixtrans-63-48.9173.6166.2-104.9000112.4F260 C262 T264 A265 E266 K270 G271 F274 Y300 I364F260-W268 HydrophobicContact CB-CE3 4.46Å; F260-W268 HydrophobicContact CB-CZ3 4.08Å; F260-W268 HydrophobicContact CD2-CH2 4.11Å; F260-W268 AromaticContact CD2-CZ3 3.6Å; F260-W268 HydrophobicContact CD2-CZ3 3.6Å; F260-W268 HydrophobicContact CG-CZ3 4.13Å; C262-W268 HydrophobicContact CB-CB 4.42Å; T264-W268 PolarHBondContact O-N 3.33Å; A265-W268 WeakPolarHBondContact O-CB 3.46Å; A265-W268 PolarHBondContact O-N 3.19Å; E266-W268 VanDerWaalsContact C-N 3.31Å; E266-W268 PolarHBondContact O-N 2.75Å; W268-K270 PolarHBondContact O-N 3.38Å; W268-G271 WeakPolarHBondContact O-CA 3.49Å; W268-G271 PolarHBondContact O-N 2.91Å; W268-F274 HydrophobicContact CZ3-CD2 4.35Å; W268-Y300 HydrophobicContact CB-CD1 3.82Å; W268-Y300 HydrophobicContact CB-CD2 4.04Å; W268-Y300 HydrophobicContact CB-CE1 4.22Å; W268-Y300 HydrophobicContact CB-CE2 4.4Å; W268-Y300 HydrophobicContact CB-CG 3.75Å; W268-Y300 AromaticContact CD1-CD1 3.62Å; W268-Y300 HydrophobicContact CD2-CD1 4.12Å; W268-Y300 AromaticContact CD2-CG 3.82Å; W268-Y300 HydrophobicContact CD2-CG 3.82Å; W268-Y300 HydrophobicContact CE3-CG 4.21Å; W268-Y300 AromaticContact CG-CD1 3.55Å; W268-Y300 HydrophobicContact CG-CD1 3.55Å; W268-Y300 HydrophobicContact CG-CD2 4.36Å; W268-Y300 HydrophobicContact CG-CE1 4.33Å; W268-Y300 AromaticContact CG-CG 3.59Å; W268-Y300 HydrophobicContact CG-CG 3.59Å; W268-I364 HydrophobicContact CD2-CD1 3.9Å; W268-I364 HydrophobicContact CE3-CD1 3.5Å; W268-I364 HydrophobicContact CH2-CB 3.95Å; W268-I364 HydrophobicContact CH2-CD1 3.46Å; W268-I364 VanDerWaalsContact CH2-CD1 3.46Å; W268-I364 HydrophobicContact CH2-CG1 4.31Å; W268-I364 HydrophobicContact CH2-CG2 3.61Å; W268-I364 HydrophobicContact CZ2-CB 4Å; W268-I364 HydrophobicContact CZ2-CD1 3.82Å; W268-I364 HydrophobicContact CZ2-CG2 4.07Å; W268-I364 HydrophobicContact CZ3-CD1 3.27Å; W268-I364 HydrophobicContact CZ3-CG2 4.36Å
269E90.3Very high89.6Confident99 Ų9963.6 Ų63.646%0.46333%0.331SS..Hα-helixtrans-61.5-28.4179.7-74.2171.9-173.500112K204 A265 E266K204-E269 IonicContact NZ-OE1 2.98Å; K204-E269 PolarHBondContact NZ-OE1 2.71Å; A265-E269 WeakPolarHBondContact O-CB 3.37Å; A265-E269 VanDerWaalsContact O-CG 3.28Å; A265-E269 WeakPolarHBondContact O-CG 3.37Å; A265-E269 PolarHBondContact O-N 3.02Å; E266-E269 PolarHBondContact O-N 3.21Å
270K90.6Very high88.5Confident106 Ų10668.4 Ų68.446%0.46135%0.352SS..THydrogen-bonded Turntrans-87.9-1.2173.1-68.2177.7-174174.50114E266 E267 W268 L272 V362E266-K270 HydrophobicContact CG-CD 4.24Å; E266-K270 WeakPolarHBondContact O-CB 3.42Å; E266-K270 WeakPolarHBondContact O-CG 3.37Å; E266-K270 PolarHBondContact O-N 2.95Å; E266-K270 VanDerWaalsContact OE1-CE 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.42Å; E266-K270 IonicContact OE1-NZ 2.71Å; E266-K270 PolarHBondContact OE1-NZ 3.23Å; E267-K270 PolarHBondContact O-N 2.66Å; W268-K270 PolarHBondContact O-N 3.38Å; K270-L272 VanDerWaalsContact C-N 3.25Å; K270-L272 HydrophobicContact CB-CD1 4.18Å; K270-L272 HydrophobicContact CB-CG 3.84Å; K270-L272 HydrophobicContact CD-CD1 4.35Å; K270-L272 PolarHBondContact O-N 2.85Å; K270-V362 VanDerWaalsContact O-CG2 3.26Å; K270-V362 WeakPolarHBondContact O-CG2 3.36Å
271G90.2Very high87.8Confident10 Ų1072 Ų7210%0.10338%0.375CS..THydrogen-bonded Turntrans67.518-178.400000115.4E267 W268 C273 F274E267-G271 PolarHBondContact O-N 3.05Å; E267-G271 VanDerWaalsContact O-N 3.16Å; W268-G271 WeakPolarHBondContact O-CA 3.49Å; W268-G271 PolarHBondContact O-N 2.91Å; G271-C273 VanDerWaalsContact C-N 3.26Å; G271-C273 PolarHBondContact O-N 2.78Å; G271-F274 WeakPolarHBondContact O-CB 3.33Å; G271-F274 PolarHBondContact O-N 3.39Å; G271-F274 VanDerWaalsContact O-N 3.17Å
272L91Very high87.4Confident109 Ų10968.8 Ų68.857%0.57136%0.36SS*.THydrogen-bonded Turntrans-70.1-22.5-174-62.5179.3000113.5E267 K270 Y275E267-L272 HydrophobicContact CB-CB 4.33Å; E267-L272 HydrophobicContact CB-CD1 4.5Å; E267-L272 HydrophobicContact CG-CD1 4.22Å; E267-L272 PolarHBondContact O-N 2.79Å; K270-L272 VanDerWaalsContact C-N 3.25Å; K270-L272 HydrophobicContact CB-CD1 4.18Å; K270-L272 HydrophobicContact CB-CG 3.84Å; K270-L272 HydrophobicContact CD-CD1 4.35Å; K270-L272 PolarHBondContact O-N 2.85Å; L272-Y275 WeakPolarHBondContact O-CD1 3.37Å; L272-Y275 WeakPolarHBondContact O-CE1 3.25Å
273C91.6Very high87.1Confident7 Ų769.6 Ų69.65%0.04737%0.365CS..THydrogen-bonded Turntrans-101.43.4175.949.10000113.3Q261 C262 G271 Y275Q261-C273 WeakPolarHBondContact O-CB 3.5Å; C262-C273 HydrophobicContact CB-CB 3.74Å; C262-C273 WeakPolarHBondContact CB-SG 3.32Å; C262-C273 WeakPolarHBondContact SG-CB 3.45Å; C262-C273 CovalentContact SG-SG 2.02Å; C262-C273 PolarHBondContact SG-SG 2.79Å; G271-C273 VanDerWaalsContact C-N 3.26Å; G271-C273 PolarHBondContact O-N 2.78Å; C273-Y275 PolarHBondContact O-N 2.76Å
274F91.3Very high87Confident10 Ų1063.4 Ų63.44%0.04434%0.338CS..  trans-84.169.1-179.6-166-100.5000110.6F260 W268 G271 Q317 G319 I364 L404 L406F260-F274 HydrophobicContact CD1-CD2 4.35Å; F260-F274 AromaticContact CD2-CD2 3.96Å; F260-F274 HydrophobicContact CD2-CD2 3.96Å; F260-F274 HydrophobicContact CD2-CE2 4.23Å; F260-F274 HydrophobicContact CE1-CD2 4.17Å; F260-F274 HydrophobicContact CE1-CE2 4.3Å; F260-F274 AromaticContact CE2-CD2 3.73Å; F260-F274 HydrophobicContact CE2-CD2 3.73Å; F260-F274 AromaticContact CE2-CE2 3.56Å; F260-F274 HydrophobicContact CE2-CE2 3.56Å; F260-F274 HydrophobicContact CG-CD2 4.27Å; F260-F274 AromaticContact CZ-CD2 3.87Å; F260-F274 HydrophobicContact CZ-CD2 3.87Å; F260-F274 AromaticContact CZ-CE2 3.62Å; F260-F274 HydrophobicContact CZ-CE2 3.62Å; F260-F274 HydrophobicContact CZ-CZ 4.48Å; W268-F274 HydrophobicContact CZ3-CD2 4.35Å; G271-F274 WeakPolarHBondContact O-CB 3.33Å; G271-F274 PolarHBondContact O-N 3.39Å; G271-F274 VanDerWaalsContact O-N 3.17Å; F274-Q317 HydrophobicContact CE2-CB 3.97Å; F274-Q317 HydrophobicContact CZ-CB 4.08Å; F274-G319 VanDerWaalsContact CE1-N 3.34Å; F274-I364 HydrophobicContact CB-CD1 3.85Å; F274-I364 HydrophobicContact CB-CG1 4.48Å; F274-I364 HydrophobicContact CD2-CD1 3.72Å; F274-I364 HydrophobicContact CD2-CG1 4.08Å; F274-I364 HydrophobicContact CD2-CG2 3.8Å; F274-I364 HydrophobicContact CE2-CG2 3.53Å; F274-I364 HydrophobicContact CG-CD1 3.95Å; F274-I364 HydrophobicContact CG-CG1 4.22Å; F274-I364 HydrophobicContact CZ-CG2 4.19Å; F274-L404 HydrophobicContact CD1-CB 3.99Å; F274-L404 HydrophobicContact CD1-CD1 4.44Å; F274-L404 HydrophobicContact CE1-CB 4.1Å; F274-L404 WeakPolarHBondContact CE1-O 3.22Å; F274-L406 HydrophobicContact CD1-CD1 4.12Å; F274-L406 HydrophobicContact CD1-CD2 4.43Å; F274-L406 HydrophobicContact CD1-CG 4.18Å; F274-L406 HydrophobicContact CD2-CD1 3.94Å; F274-L406 HydrophobicContact CE1-CD1 3.62Å; F274-L406 HydrophobicContact CE1-CD2 4.36Å; F274-L406 HydrophobicContact CE1-CG 3.65Å; F274-L406 HydrophobicContact CE2-CD1 3.44Å; F274-L406 VanDerWaalsContact CE2-CD1 3.44Å; F274-L406 HydrophobicContact CE2-CG 4.39Å; F274-L406 HydrophobicContact CG-CD1 4.27Å; F274-L406 HydrophobicContact CZ-CD1 3.26Å; F274-L406 HydrophobicContact CZ-CG 3.78Å
275Y86.4Confident87.1Confident141 Ų14160.7 Ų60.755%0.55332%0.321SS*.SBendtrans-144.4161178.260.4-98.3000110.6L272 C273 L406L272-Y275 WeakPolarHBondContact O-CD1 3.37Å; L272-Y275 WeakPolarHBondContact O-CE1 3.25Å; C273-Y275 PolarHBondContact O-N 2.76Å; Y275-L406 VanDerWaalsContact C-CD2 3.5Å; Y275-L406 VanDerWaalsContact CA-CD2 3.47Å
276C81.7Confident87Confident38 Ų3859.7 Ų59.726%0.25731%0.313SS..  trans-72.3128.2176.8-157.30000110.8C408C276-C408 VanDerWaalsContact CA-SG 3.52Å; C276-C408 HydrophobicContact CB-CB 4.33Å; C276-C408 WeakPolarHBondContact CB-SG 3.35Å; C276-C408 WeakPolarHBondContact SG-CA 2.84Å; C276-C408 WeakPolarHBondContact SG-CB 3.44Å; C276-C408 CovalentContact SG-SG 2.04Å; C276-C408 PolarHBondContact SG-SG 2.84Å
277P78.6Confident87Confident38 Ų3855.4 Ų55.425%0.24729%0.293CS..  trans-55.9145174.2-26.736.7000111.9N279 H280P277-N279 WeakPolarHBondContact CB-OD1 3.37Å; P277-N279 PolarHBondContact O-N 3.35Å; P277-N279 VanDerWaalsContact O-N 3.12Å; P277-H280 WeakPolarHBondContact O-CA 3.2Å; P277-H280 PolarHBondContact O-N 2.88Å
278A77.3Confident86.8Confident101 Ų10154 Ų5484%0.83529%0.293SS*.THydrogen-bonded Turntrans-61.8-23.1-175.600000114.2H280A278-H280 VanDerWaalsContact C-N 3.29Å; A278-H280 PolarHBondContact O-CD2 3.34Å
279N78.4Confident86.8Confident105 Ų10553.9 Ų53.956%0.56129%0.294SS*.THydrogen-bonded Turntrans-87.95.4174.365.7-7.6000113.1P277 T281P277-N279 WeakPolarHBondContact CB-OD1 3.37Å; P277-N279 PolarHBondContact O-N 3.35Å; P277-N279 VanDerWaalsContact O-N 3.12Å; N279-T281 PolarHBondContact ND2-OG1 3.38Å; N279-T281 PolarHBondContact O-N 3.47Å; N279-T281 PolarHBondContact OD1-N 3.33Å; N279-T281 PolarHBondContact OD1-OG1 2.02Å
280H70.9Confident87Confident105 Ų10551 Ų5149%0.48628%0.283SS..  trans57.912.3-178.3-59.2-90.8000115.1P277 A278P277-H280 WeakPolarHBondContact O-CA 3.2Å; P277-H280 PolarHBondContact O-N 2.88Å; A278-H280 VanDerWaalsContact C-N 3.29Å; A278-H280 PolarHBondContact O-CD2 3.34Å
281T79Confident87Confident82 Ų8249.8 Ų49.850%0.50329%0.288SS..  trans-94.6106.6176.9630000110N279N279-T281 PolarHBondContact ND2-OG1 3.38Å; N279-T281 PolarHBondContact O-N 3.47Å; N279-T281 PolarHBondContact OD1-N 3.33Å; N279-T281 PolarHBondContact OD1-OG1 2.02Å
282M84.9Confident87Confident34 Ų3454.5 Ų54.517%0.16732%0.319CS..  trans-72.4141.6173.2-168.255.961.800110.6F260 F284 C408F260-M282 HydrophobicContact CD1-SD 4.43Å; F260-M282 HydrophobicContact CE1-CE 3.93Å; F260-M282 HydrophobicContact CE1-SD 3.84Å; F260-M282 HydrophobicContact CZ-CE 4.49Å; F260-M282 HydrophobicContact CZ-SD 4.26Å; M282-F284 HydrophobicContact CB-CE1 4.46Å; M282-F284 HydrophobicContact CB-CE2 3.95Å; M282-F284 HydrophobicContact CB-CZ 3.77Å; M282-F284 HydrophobicContact CG-CE1 4.06Å; M282-F284 HydrophobicContact CG-CE2 4.31Å; M282-F284 HydrophobicContact CG-CZ 3.88Å; M282-F284 WeakPolarHBondContact O-CE2 3.35Å; M282-C408 HydrophobicContact CE-CB 4.35Å; M282-C408 WeakPolarHBondContact CE-SG 3.48Å
283T89.7Confident86.8Confident24 Ų2454.6 Ų54.615%0.14732%0.319CS..EExtended strand (participates in β ladder)trans-92.2146171.3-65.30000109.5A259 I294 F299A259-T283 PolarHBondContact N-O 2.86Å; T283-I294 HydrophobicContact CG2-CD1 3.24Å; T283-I294 HydrophobicContact CG2-CG1 3.61Å; T283-F299 HydrophobicContact CG2-CD1 3.87Å; T283-F299 HydrophobicContact CG2-CE1 3.67Å; T283-F299 HydrophobicContact CG2-CZ 4.24Å
284F91.7Very high86.7Confident52 Ų5254.5 Ų54.523%0.22832%0.318CS..EExtended strand (participates in β ladder)trans-126.8139.1178.9-58.5-83.8000110.5D256 F257 S258 M282D256-F284 HydrophobicContact CB-CD1 3.64Å; D256-F284 HydrophobicContact CB-CE1 3.66Å; F257-F284 WeakPolarHBondContact O-CA 3.21Å; S258-F284 WeakPolarHBondContact OG-CE1 3.44Å; M282-F284 HydrophobicContact CB-CE1 4.46Å; M282-F284 HydrophobicContact CB-CE2 3.95Å; M282-F284 HydrophobicContact CB-CZ 3.77Å; M282-F284 HydrophobicContact CG-CE1 4.06Å; M282-F284 HydrophobicContact CG-CE2 4.31Å; M282-F284 HydrophobicContact CG-CZ 3.88Å; M282-F284 WeakPolarHBondContact O-CE2 3.35Å
285F94.2Very high86.8Confident4 Ų457.4 Ų57.42%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-69.3128.2158.1167.3-105.4000108.3Q173 I175 F198 L241 Y242 A245 F257 F301Q173-F285 VanDerWaalsContact NE2-CE2 3.34Å; I175-F285 HydrophobicContact CB-CE2 4.12Å; I175-F285 HydrophobicContact CD1-CD1 4.49Å; I175-F285 HydrophobicContact CD1-CD2 4.28Å; I175-F285 HydrophobicContact CD1-CE1 3.93Å; I175-F285 HydrophobicContact CD1-CE2 3.68Å; I175-F285 HydrophobicContact CD1-CZ 3.48Å; I175-F285 VanDerWaalsContact CD1-CZ 3.48Å; I175-F285 HydrophobicContact CG1-CE2 4.41Å; F198-F285 HydrophobicContact CB-CD2 4.24Å; F198-F285 HydrophobicContact CD1-CB 3.7Å; F198-F285 HydrophobicContact CD1-CD2 4.23Å; F198-F285 HydrophobicContact CD1-CG 4.4Å; F198-F285 AromaticContact CD2-CD2 3.73Å; F198-F285 HydrophobicContact CD2-CD2 3.73Å; F198-F285 HydrophobicContact CE1-CB 3.7Å; F198-F285 HydrophobicContact CE2-CD2 4.04Å; F198-F285 HydrophobicContact CG-CB 4.17Å; F198-F285 AromaticContact CG-CD2 3.81Å; F198-F285 HydrophobicContact CG-CD2 3.81Å; F198-F285 HydrophobicContact CG-CG 4.39Å; F198-F285 HydrophobicContact CZ-CB 4.17Å; F198-F285 HydrophobicContact CZ-CD2 4.41Å; L241-F285 HydrophobicContact CB-CE1 3.97Å; L241-F285 HydrophobicContact CB-CZ 4.47Å; Y242-F285 HydrophobicContact CD2-CE2 4.29Å; Y242-F285 AromaticContact CD2-CZ 3.85Å; Y242-F285 HydrophobicContact CD2-CZ 3.85Å; A245-F285 HydrophobicContact CB-CD1 4.35Å; A245-F285 HydrophobicContact CB-CE1 3.92Å; F257-F285 HydrophobicContact CB-CB 3.82Å; F257-F285 HydrophobicContact CB-CD1 4.06Å; F257-F285 HydrophobicContact CB-CG 4.46Å; F257-F285 AromaticContact CD2-CD1 3.7Å; F257-F285 HydrophobicContact CD2-CD1 3.7Å; F257-F285 HydrophobicContact CD2-CE1 4.32Å; F257-F285 HydrophobicContact CE2-CD1 4.34Å; F257-F285 AromaticContact CG-CD1 3.96Å; F257-F285 HydrophobicContact CG-CD1 3.96Å; F257-F285 PolarHBondContact O-N 2.94Å; F285-F301 HydrophobicContact CB-CD1 4.19Å; F285-F301 HydrophobicContact CB-CE1 3.51Å; F285-F301 HydrophobicContact CB-CZ 3.9Å; F285-F301 HydrophobicContact CD1-CE1 4.22Å; F285-F301 AromaticContact CD1-CZ 3.76Å; F285-F301 HydrophobicContact CD1-CZ 3.76Å; F285-F301 AromaticContact CG-CE1 3.84Å; F285-F301 HydrophobicContact CG-CE1 3.84Å; F285-F301 AromaticContact CG-CZ 3.87Å; F285-F301 HydrophobicContact CG-CZ 3.87Å
286G90.7Very high87.2Confident4 Ų457 Ų574%0.04134%0.339CS..  trans-161.7174.4-168.900000114.8Q173Q173-G286 PolarHBondContact NE2-O 3.18Å
287F91.9Very high87.9Confident23 Ų2356.1 Ų56.110%0.10134%0.336CS..SBendtrans-85.8152.4168175.2-112.6000110Y45 L65 Y242 I246 M249 L289Y45-F287 AromaticContact CE1-CE2 3.55Å; Y45-F287 HydrophobicContact CE1-CE2 3.55Å; Y45-F287 HydrophobicContact CE1-CZ 4.17Å; Y45-F287 HydrophobicContact CE2-CE2 4.39Å; Y45-F287 HydrophobicContact CE2-CZ 4.21Å; Y45-F287 AromaticContact CZ-CE2 3.46Å; Y45-F287 VanDerWaalsContact CZ-CE2 3.46Å; Y45-F287 AromaticContact CZ-CZ 3.6Å; Y45-F287 VanDerWaalsContact OH-CE2 3.24Å; Y45-F287 WeakPolarHBondContact OH-CE2 3.49Å; Y45-F287 WeakPolarHBondContact OH-CZ 3.41Å; L65-F287 HydrophobicContact CD2-CE2 3.55Å; L65-F287 HydrophobicContact CD2-CZ 3.87Å; Y242-F287 HydrophobicContact CE1-CD2 4.46Å; Y242-F287 AromaticContact CZ-CD2 3.9Å; Y242-F287 WeakPolarHBondContact OH-CD2 3.03Å; I246-F287 HydrophobicContact CB-CG 4.45Å; I246-F287 HydrophobicContact CD1-CD2 4.33Å; I246-F287 HydrophobicContact CG1-CB 3.99Å; I246-F287 HydrophobicContact CG1-CD2 3.53Å; I246-F287 HydrophobicContact CG1-CE2 4.11Å; I246-F287 HydrophobicContact CG1-CG 3.81Å; M249-F287 WeakPolarHBondContact CE-O 2.91Å; M249-F287 HydrophobicContact CG-CB 3.91Å; M249-F287 HydrophobicContact CG-CD1 4.29Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.44Å
288G90.4Very high88.8Confident25 Ų2555.8 Ų55.826%0.25833%0.333SS..SBendtrans75.99.1176.200000116.6
289L93Very high89.7Confident15 Ų1551 Ų518%0.07929%0.293CS..  trans-66144.2-177.1-62.4-176000113.2R144 F171 F198 F287 I293 I294R144-L289 VanDerWaalsContact CD-O 3.31Å; R144-L289 WeakPolarHBondContact CD-O 3.35Å; F171-L289 VanDerWaalsContact CD1-O 3.32Å; F171-L289 WeakPolarHBondContact CD1-O 3.49Å; F171-L289 HydrophobicContact CE1-CB 3.81Å; F171-L289 WeakPolarHBondContact CE1-O 3.38Å; F171-L289 HydrophobicContact CZ-CB 4.25Å; F198-L289 HydrophobicContact CE2-CD1 3.92Å; F198-L289 HydrophobicContact CZ-CD1 3.86Å; F287-L289 VanDerWaalsContact C-N 3.33Å; F287-L289 PolarHBondContact O-N 3.44Å; L289-I293 HydrophobicContact CD2-CG2 4.13Å; L289-I294 HydrophobicContact CB-CG2 4.28Å; L289-I294 HydrophobicContact CD1-CD1 4.32Å; L289-I294 HydrophobicContact CD1-CG2 4.44Å
290T93.6Very high90.6Very high38 Ų3846.5 Ų46.523%0.23327%0.269CS..  trans-141.6168.9176.972.30000111S292 I293 I294T290-S292 PolarHBondContact O-N 3.13Å; T290-S292 PolarHBondContact OG1-N 2.96Å; T290-S292 PolarHBondContact OG1-OG 3.07Å; T290-I293 HydrophobicContact CG2-CD1 4.31Å; T290-I293 PolarHBondContact O-N 2.9Å; T290-I293 VanDerWaalsContact O-N 3.08Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.13Å; T290-I294 WeakPolarHBondContact O-CG2 3.38Å; T290-I294 PolarHBondContact O-N 2.86Å
291S90.2Very high91.8Very high80 Ų8041.5 Ų41.556%0.55925%0.246SC*.THydrogen-bonded Turntrans-65.3-15.8176.656.90000114.8
292S89.6Confident92.6Very high110 Ų11037.7 Ų37.777%0.76922%0.222SC*.THydrogen-bonded Turntrans-85.9-17.6174.759.90000112.8T290T290-S292 PolarHBondContact O-N 3.13Å; T290-S292 PolarHBondContact OG1-N 2.96Å; T290-S292 PolarHBondContact OG1-OG 3.07Å
293I87.3Confident93Very high111 Ų11136.1 Ų36.157%0.56921%0.214SC*.THydrogen-bonded Turntrans-96.5-39.2-177.2-63.3169000111.1L289 T290L289-I293 HydrophobicContact CD2-CG2 4.13Å; T290-I293 HydrophobicContact CG2-CD1 4.31Å; T290-I293 PolarHBondContact O-N 2.9Å; T290-I293 VanDerWaalsContact O-N 3.08Å; T290-I293 WeakPolarHBondContact OG1-CG1 3.13Å
294I90.7Very high93.1Very high5 Ų537 Ų373%0.02622%0.215CC..SBendtrans-130.9132.5-172.9-176.3175.8000111.2F171 V196 F198 T283 L289 T290 F299F171-I294 HydrophobicContact CE2-CG2 4.03Å; F171-I294 HydrophobicContact CZ-CG2 3.56Å; V196-I294 HydrophobicContact CB-CD1 4.35Å; V196-I294 HydrophobicContact CG1-CD1 3.97Å; V196-I294 HydrophobicContact CG1-CG1 4.09Å; V196-I294 HydrophobicContact CG1-CG2 4.03Å; F198-I294 HydrophobicContact CE1-CD1 4.26Å; F198-I294 HydrophobicContact CE2-CD1 4.28Å; F198-I294 HydrophobicContact CZ-CD1 3.5Å; F198-I294 VanDerWaalsContact CZ-CD1 3.5Å; T283-I294 HydrophobicContact CG2-CD1 3.24Å; T283-I294 HydrophobicContact CG2-CG1 3.61Å; L289-I294 HydrophobicContact CB-CG2 4.28Å; L289-I294 HydrophobicContact CD1-CD1 4.32Å; L289-I294 HydrophobicContact CD1-CG2 4.44Å; T290-I294 WeakPolarHBondContact O-CG2 3.38Å; T290-I294 PolarHBondContact O-N 2.86Å; I294-F299 HydrophobicContact CD1-CD2 4.36Å; I294-F299 HydrophobicContact CD1-CE1 4.5Å; I294-F299 HydrophobicContact CD1-CE2 3.93Å; I294-F299 HydrophobicContact CD1-CZ 4.01Å; I294-F299 HydrophobicContact CG1-CE2 4.21Å; I294-F299 HydrophobicContact CG1-CZ 3.94Å
295P91.8Very high92.5Very high70 Ų7037.8 Ų37.846%0.45522%0.222SC..  trans-68152.3174.727.9-33.8000111.3V196 F299V196-P295 WeakPolarHBondContact CG1-O 3.37Å; P295-F299 HydrophobicContact CG-CZ 4.29Å; P295-F299 WeakPolarHBondContact O-CE2 3.38Å; P295-F299 WeakPolarHBondContact O-CZ 3.39Å
296K95.4Very high91.1Very high134 Ų13440.7 Ų40.758%0.58324%0.235SC*.SBendtrans-62.9138.7174.7-60.7-178.5-176.7-169.30110H195 Q261H195-K296 HydrophobicContact CB-CG 4.3Å; H195-K296 WeakPolarHBondContact CD2-CE 3.48Å; H195-K296 PolarHBondContact CD2-NZ 2.95Å; H195-K296 PolarHBondContact NE2-NZ 3.28Å; H195-K296 CarbonylContact O-C 3.48Å; H195-K296 WeakPolarHBondContact O-CA 3.31Å; H195-K296 WeakPolarHBondContact O-CB 3.35Å; Q261-K296 PolarHBondContact NE2-O 3.37Å
297G95.9Very high89.6Confident18 Ų1846.9 Ų46.919%0.18627%0.267CS..EExtended strand (participates in β ladder)trans164.1-177.6-178.300000115.9H195 V196 D197H195-G297 PolarHBondContact O-N 3.09Å; V196-G297 WeakPolarHBondContact CA-O 3.38Å; D197-G297 PolarHBondContact N-O 2.98Å
298T97.7Very high88Confident31 Ų3150.4 Ų50.419%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-109.6123.3177.1-63.70000107.9D197 Y199 Q261 C262 Y300D197-T298 CarbonylContact O-C 3.55Å; D197-T298 WeakPolarHBondContact O-CA 3.32Å; Y199-T298 HydrophobicContact CD2-CG2 3.65Å; Y199-T298 HydrophobicContact CE2-CG2 3.33Å; Q261-T298 WeakPolarHBondContact CA-O 3.28Å; C262-T298 PolarHBondContact N-O 2.78Å; T298-Y300 HydrophobicContact CG2-CD2 4.36Å; T298-Y300 HydrophobicContact CG2-CE2 3.4Å; T298-Y300 WeakPolarHBondContact CG2-OH 3.01Å
299F97.5Very high86.8Confident1 Ų154.6 Ų54.60%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-124.4144.5-171.7-61.2-91000111V196 D197 F198 Y199 A259 F260 Q261 T283 I294 P295V196-F299 HydrophobicContact CB-CD2 4.32Å; V196-F299 HydrophobicContact CB-CE2 4.12Å; V196-F299 HydrophobicContact CG1-CE2 3.95Å; D197-F299 PolarHBondContact O-N 2.7Å; F198-F299 CarbonylContact C-O 3.58Å; F198-F299 WeakPolarHBondContact CA-O 3.46Å; F198-F299 HydrophobicContact CD1-CB 3.62Å; F198-F299 HydrophobicContact CD1-CG 4.38Å; F198-F299 HydrophobicContact CE1-CB 3.81Å; F198-F299 HydrophobicContact CE1-CD2 4.36Å; F198-F299 HydrophobicContact CE1-CG 4.13Å; F198-F299 HydrophobicContact CG-CB 4.44Å; Y199-F299 PolarHBondContact N-O 3.44Å; A259-F299 HydrophobicContact CB-CB 4.01Å; F260-F299 CarbonylContact O-C 3.58Å; F260-F299 VanDerWaalsContact O-CA 3.26Å; F260-F299 WeakPolarHBondContact O-CA 3.13Å; Q261-F299 HydrophobicContact CB-CD1 3.85Å; Q261-F299 HydrophobicContact CB-CE1 3.66Å; Q261-F299 HydrophobicContact CB-CZ 4.45Å; Q261-F299 HydrophobicContact CG-CD1 4.32Å; Q261-F299 HydrophobicContact CG-CE1 3.97Å; Q261-F299 HydrophobicContact CG-CZ 4.27Å; T283-F299 HydrophobicContact CG2-CD1 3.87Å; T283-F299 HydrophobicContact CG2-CE1 3.67Å; T283-F299 HydrophobicContact CG2-CZ 4.24Å; I294-F299 HydrophobicContact CD1-CD2 4.36Å; I294-F299 HydrophobicContact CD1-CE1 4.5Å; I294-F299 HydrophobicContact CD1-CE2 3.93Å; I294-F299 HydrophobicContact CD1-CZ 4.01Å; I294-F299 HydrophobicContact CG1-CE2 4.21Å; I294-F299 HydrophobicContact CG1-CZ 3.94Å; P295-F299 HydrophobicContact CG-CZ 4.29Å; P295-F299 WeakPolarHBondContact O-CE2 3.38Å; P295-F299 WeakPolarHBondContact O-CZ 3.39Å
300Y97.2Very high86Confident11 Ų1162.3 Ų62.34%0.04332%0.324CS..EExtended strand (participates in β ladder)trans-128.9146.7-178.4-62.8-99.3000109.9Y199 A259 F260 C262 A265 W268 T298Y199-Y300 VanDerWaalsContact CB-CD1 3.47Å; Y199-Y300 HydrophobicContact CD2-CE1 4.13Å; Y199-Y300 HydrophobicContact CD2-CE2 4.47Å; Y199-Y300 HydrophobicContact CG-CD1 4.27Å; Y199-Y300 AromaticContact CG-CE1 3.85Å; Y199-Y300 HydrophobicContact CG-CE1 3.85Å; A259-Y300 CarbonylContact C-O 3.59Å; A259-Y300 WeakPolarHBondContact CA-O 3.33Å; F260-Y300 WeakPolarHBondContact CD2-O 3.45Å; F260-Y300 PolarHBondContact N-O 3.23Å; F260-Y300 PolarHBondContact O-N 2.98Å; C262-Y300 HydrophobicContact CB-CD2 3.67Å; C262-Y300 HydrophobicContact CB-CE2 3.71Å; C262-Y300 WeakPolarHBondContact SG-CD2 3.47Å; A265-Y300 WeakPolarHBondContact CA-OH 3.47Å; A265-Y300 HydrophobicContact CB-CE1 4.06Å; A265-Y300 PolarHBondContact N-OH 3.44Å; A265-Y300 VanDerWaalsContact N-OH 3.15Å; W268-Y300 HydrophobicContact CB-CD1 3.82Å; W268-Y300 HydrophobicContact CB-CD2 4.04Å; W268-Y300 HydrophobicContact CB-CE1 4.22Å; W268-Y300 HydrophobicContact CB-CE2 4.4Å; W268-Y300 HydrophobicContact CB-CG 3.75Å; W268-Y300 AromaticContact CD1-CD1 3.62Å; W268-Y300 HydrophobicContact CD2-CD1 4.12Å; W268-Y300 AromaticContact CD2-CG 3.82Å; W268-Y300 HydrophobicContact CD2-CG 3.82Å; W268-Y300 HydrophobicContact CE3-CG 4.21Å; W268-Y300 AromaticContact CG-CD1 3.55Å; W268-Y300 HydrophobicContact CG-CD1 3.55Å; W268-Y300 HydrophobicContact CG-CD2 4.36Å; W268-Y300 HydrophobicContact CG-CE1 4.33Å; W268-Y300 AromaticContact CG-CG 3.59Å; W268-Y300 HydrophobicContact CG-CG 3.59Å; T298-Y300 HydrophobicContact CG2-CD2 4.36Å; T298-Y300 HydrophobicContact CG2-CE2 3.4Å; T298-Y300 WeakPolarHBondContact CG2-OH 3.01Å
301F95.9Very high85.5Confident0 Ų063.2 Ų63.20%034%0.335CS..EExtended strand (participates in β ladder)trans-152.3151.3173.160.7-92.4000110.1I175 F198 P200 N201 F257 S258 A259 F285 T303I175-F301 HydrophobicContact CD1-CZ 4.39Å; F198-F301 HydrophobicContact CB-CE1 4.05Å; F198-F301 HydrophobicContact CD1-CD1 4.29Å; F198-F301 HydrophobicContact CD1-CE1 4.08Å; F198-F301 HydrophobicContact CG-CE1 4.42Å; P200-F301 CarbonylContact C-O 3.48Å; P200-F301 WeakPolarHBondContact CA-O 3.27Å; P200-F301 HydrophobicContact CB-CD2 4.22Å; P200-F301 HydrophobicContact CB-CE1 4.29Å; P200-F301 HydrophobicContact CB-CE2 3.69Å; P200-F301 HydrophobicContact CB-CZ 3.75Å; P200-F301 HydrophobicContact CG-CE1 3.87Å; P200-F301 HydrophobicContact CG-CE2 3.96Å; P200-F301 HydrophobicContact CG-CZ 3.47Å; P200-F301 VanDerWaalsContact CG-CZ 3.47Å; N201-F301 PolarHBondContact N-O 3.43Å; F257-F301 HydrophobicContact CB-CD2 4.12Å; F257-F301 HydrophobicContact CB-CE2 4Å; F257-F301 HydrophobicContact CB-CG 4.48Å; F257-F301 HydrophobicContact CB-CZ 4.22Å; F257-F301 AromaticContact CD1-CD2 3.8Å; F257-F301 HydrophobicContact CD1-CD2 3.8Å; F257-F301 AromaticContact CD1-CE2 3.39Å; F257-F301 HydrophobicContact CD1-CE2 3.39Å; F257-F301 HydrophobicContact CD1-CZ 4.19Å; F257-F301 HydrophobicContact CE1-CE2 4.09Å; F257-F301 HydrophobicContact CG-CD2 4.37Å; F257-F301 AromaticContact CG-CE2 3.92Å; F257-F301 HydrophobicContact CG-CE2 3.92Å; F257-F301 HydrophobicContact CG-CZ 4.31Å; S258-F301 WeakPolarHBondContact O-CB 3.1Å; A259-F301 HydrophobicContact CB-CB 4.42Å; A259-F301 HydrophobicContact CB-CD1 4.13Å; F285-F301 HydrophobicContact CB-CD1 4.19Å; F285-F301 HydrophobicContact CB-CE1 3.51Å; F285-F301 HydrophobicContact CB-CZ 3.9Å; F285-F301 HydrophobicContact CD1-CE1 4.22Å; F285-F301 AromaticContact CD1-CZ 3.76Å; F285-F301 HydrophobicContact CD1-CZ 3.76Å; F285-F301 AromaticContact CG-CE1 3.84Å; F285-F301 HydrophobicContact CG-CE1 3.84Å; F285-F301 AromaticContact CG-CZ 3.87Å; F285-F301 HydrophobicContact CG-CZ 3.87Å; F301-T303 HydrophobicContact CD2-CG2 3.88Å; F301-T303 HydrophobicContact CE2-CG2 3.61Å
302A94.8Very high85.4Confident1 Ų162.1 Ų62.11%0.00833%0.326CS..  trans-86.7149.8169.300000110.5N201 Q317 I364 A366N201-A302 WeakPolarHBondContact OD1-CA 3.49Å; A302-Q317 HydrophobicContact CB-CG 4.24Å; A302-I364 HydrophobicContact CB-CG2 4Å; A302-A366 HydrophobicContact CB-CB 4.38Å
303T94.3Very high85.5Confident1 Ų157 Ų571%0.00629%0.29CS..  trans-116.6160170.570.90000109.9P200 N201 L207 L241 F257 F301 F313P200-T303 HydrophobicContact CB-CG2 4.1Å; N201-T303 PolarHBondContact ND2-OG1 3.22Å; N201-T303 PolarHBondContact OD1-N 3.47Å; L207-T303 VanDerWaalsContact CD1-O 3.22Å; L207-T303 WeakPolarHBondContact CD1-O 3.44Å; L241-T303 HydrophobicContact CD1-CG2 4.48Å; L241-T303 HydrophobicContact CD2-CG2 3.9Å; F257-T303 HydrophobicContact CE1-CG2 4.26Å; F301-T303 HydrophobicContact CD2-CG2 3.88Å; F301-T303 HydrophobicContact CE2-CG2 3.61Å; T303-F313 CarbonylContact C-O 3.55Å; T303-F313 WeakPolarHBondContact CA-O 3.48Å; T303-F313 WeakPolarHBondContact CB-O 3.27Å
304R90.9Very high85.7Confident42 Ų4251.8 Ų51.816%0.15826%0.264CS..  trans-66.7151.1170.6-69.3173.364.4-163.4-12.2110.8P312 F313 C314 E344 A366 S368R304-P312 VanDerWaalsContact NH1-CG 3.29Å; R304-F313 PolarHBondContact N-O 2.99Å; R304-C314 WeakPolarHBondContact CD-O 3.43Å; R304-E344 IonicContact NH2-OE1 3.72Å; R304-A366 HydrophobicContact CG-CB 3.98Å; R304-A366 WeakPolarHBondContact CG-O 3.32Å; R304-S368 VanDerWaalsContact NH2-CB 3.33Å
305N78.8Confident85.7Confident70 Ų7052 Ų5237%0.37427%0.267SS..  trans-94.2111.5169.8-171.512.5000108.6L207 G208L207-N305 HydrophobicContact CB-CB 3.96Å; L207-N305 HydrophobicContact CD1-CB 4.01Å; G208-N305 PolarHBondContact N-OD1 3.47Å; G208-N305 VanDerWaalsContact N-OD1 3.16Å
306H65.9Low85.6Confident64 Ų6451.6 Ų51.630%0.29626%0.261SS..  trans-112.6124.7171.5-154.8-79.8000109D308 Y309 R310H306-D308 IonicContact CE1-OD2 2.78Å; H306-D308 PolarHBondContact O-N 3.34Å; H306-Y309 PolarHBondContact O-N 3.34Å; H306-R310 WeakPolarHBondContact CB-O 3.38Å
307N58.6Low85.4Confident134 Ų13446 Ų4672%0.71724%0.237SC*.THydrogen-bonded Turntrans-58.1-24.9-174.8-68.4-25.6000113.1
308D57.5Low85.2Confident98 Ų9845.6 Ų45.652%0.52423%0.23SC..THydrogen-bonded Turntrans-9912.6-178.1-58.9-39.8000114.7H306 R310H306-D308 IonicContact CE1-OD2 2.78Å; H306-D308 PolarHBondContact O-N 3.34Å; D308-R310 HydrophobicContact CB-CG 4.46Å; D308-R310 WeakPolarHBondContact O-CG 3.31Å; D308-R310 PolarHBondContact O-N 2.89Å; D308-R310 VanDerWaalsContact O-N 3.09Å
309Y65.7Low84.9Confident112 Ų11244.1 Ų44.144%0.43922%0.221SC..SBendtrans58.923.8179.5-46.7-90.4000113.7G208 C233 H306 F313G208-Y309 WeakPolarHBondContact O-CE1 2.91Å; G208-Y309 PolarHBondContact O-OH 2.88Å; C233-Y309 WeakPolarHBondContact SG-CD1 3.34Å; C233-Y309 WeakPolarHBondContact SG-CE1 3.22Å; H306-Y309 PolarHBondContact O-N 3.34Å; Y309-F313 WeakPolarHBondContact O-CZ 3.29Å
310R75.7Confident84.6Confident178 Ų17844 Ų4467%0.67222%0.221SC*.  trans-112.5145.4-175.5-74.4170.8-170.4-172.52.7110.8H306 D308 F313H306-R310 WeakPolarHBondContact CB-O 3.38Å; D308-R310 HydrophobicContact CB-CG 4.46Å; D308-R310 WeakPolarHBondContact O-CG 3.31Å; D308-R310 PolarHBondContact O-N 2.89Å; D308-R310 VanDerWaalsContact O-N 3.09Å; R310-F313 VanDerWaalsContact C-CZ 3.46Å; R310-F313 VanDerWaalsContact O-CE1 3.22Å; R310-F313 WeakPolarHBondContact O-CE1 3.27Å
311A83.1Confident84.3Confident56 Ų5644.8 Ų44.846%0.46323%0.226SC..SBendtrans-57.1155.9169.500000110.8E244 F313E244-A311 HydrophobicContact CG-CB 4.31Å; E244-A311 WeakPolarHBondContact OE2-CB 3.35Å; A311-F313 HydrophobicContact CB-CD2 4.38Å; A311-F313 HydrophobicContact CB-CE2 4.23Å
312P88.8Confident84.1Confident57 Ų5744.9 Ų44.937%0.3723%0.227SC..  cis-77.9131.93.929.5-35.7000114.2E244 R304E244-P312 VanDerWaalsContact OE1-CA 3.25Å; E244-P312 WeakPolarHBondContact OE1-CA 3.43Å; R304-P312 VanDerWaalsContact NH1-CG 3.29Å
313F92.6Very high84Confident3 Ų348.3 Ų48.31%0.01324%0.242CC..  trans-93.3-24.4168.7-54.1-51.6000112.2R237 A240 L241 E244 F257 T303 R304 Y309 R310 A311R237-F313 VanDerWaalsContact NH1-CZ 3.34Å; A240-F313 HydrophobicContact CB-CE2 3.82Å; A240-F313 HydrophobicContact CB-CZ 4.47Å; L241-F313 HydrophobicContact CD2-CB 3.57Å; L241-F313 HydrophobicContact CD2-CD2 3.67Å; L241-F313 HydrophobicContact CD2-CG 3.91Å; L241-F313 HydrophobicContact CG-CD2 4.35Å; E244-F313 PolarHBondContact OE1-N 3.16Å; E244-F313 WeakPolarHBondContact OE2-CB 3.07Å; E244-F313 WeakPolarHBondContact OE2-CD2 3.21Å; E244-F313 WeakPolarHBondContact OE2-CG 3.26Å; E244-F313 PolarHBondContact OE2-N 3.17Å; F257-F313 HydrophobicContact CE1-CB 4.01Å; F257-F313 HydrophobicContact CZ-CB 4.13Å; T303-F313 CarbonylContact C-O 3.55Å; T303-F313 WeakPolarHBondContact CA-O 3.48Å; T303-F313 WeakPolarHBondContact CB-O 3.27Å; R304-F313 PolarHBondContact N-O 2.99Å; Y309-F313 WeakPolarHBondContact O-CZ 3.29Å; R310-F313 VanDerWaalsContact C-CZ 3.46Å; R310-F313 VanDerWaalsContact O-CE1 3.22Å; R310-F313 WeakPolarHBondContact O-CE1 3.27Å; A311-F313 HydrophobicContact CB-CD2 4.38Å; A311-F313 HydrophobicContact CB-CE2 4.23Å
314C91.8Very high83.9Confident1 Ų148.3 Ų48.31%0.00724%0.241CC..  trans-65.7154.917359.10000110.7E244 C255 F257 R304E244-C314 WeakPolarHBondContact OE1-CB 3.4Å; E244-C314 PolarHBondContact OE1-N 3.41Å; E244-C314 PolarHBondContact OE1-SG 3.09Å; C255-C314 HydrophobicContact CB-CB 4.07Å; C255-C314 WeakPolarHBondContact CB-SG 3.32Å; C255-C314 WeakPolarHBondContact SG-CB 3.34Å; C255-C314 PolarHBondContact SG-O 3.02Å; C255-C314 VanDerWaalsContact SG-O 3.37Å; C255-C314 CovalentContact SG-SG 2Å; C255-C314 PolarHBondContact SG-SG 3.24Å; F257-C314 HydrophobicContact CD1-CB 4.04Å; F257-C314 HydrophobicContact CD2-CB 4.36Å; F257-C314 VanDerWaalsContact CE1-CA 3.42Å; F257-C314 HydrophobicContact CE1-CB 3.72Å; F257-C314 VanDerWaalsContact CE1-N 3.28Å; F257-C314 HydrophobicContact CE2-CB 4.06Å; F257-C314 HydrophobicContact CG-CB 4.36Å; F257-C314 HydrophobicContact CZ-CB 3.72Å; R304-C314 WeakPolarHBondContact CD-O 3.43Å
315G89.6Confident84.1Confident10 Ų1048.2 Ų48.210%0.10324%0.244CC..  trans178173.8-179.600000112.8Q317 T367G315-Q317 PolarHBondContact O-N 2.61Å; G315-T367 CarbonylContact C-O 3.52Å; G315-T367 VanDerWaalsContact CA-O 3.31Å; G315-T367 WeakPolarHBondContact CA-O 3.41Å
316N89.3Confident84.8Confident62 Ų6251.2 Ų51.233%0.33225%0.25SS..EExtended strand (participates in β ladder)trans-74.8121.6-179.7-61-73.1000109.4Y318 A366 T367 S368 P370N316-Y318 HydrophobicContact CB-CE2 3.64Å; N316-Y318 WeakPolarHBondContact O-CD2 3.39Å; N316-A366 CarbonylContact O-C 3.6Å; N316-A366 VanDerWaalsContact O-CA 3.27Å; N316-A366 WeakPolarHBondContact O-CA 3.23Å; N316-T367 PolarHBondContact N-O 2.83Å; N316-T367 PolarHBondContact O-N 3Å; N316-T367 PolarHBondContact O-OG1 2.96Å; N316-S368 PolarHBondContact ND2-O 2.86Å; N316-P370 WeakPolarHBondContact ND2-CD 3.25Å
317Q92.5Very high86.1Confident15 Ų1550 Ų507%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-92.5136.3-174.8-73.7-179.370.400112.6S258 F274 A302 G315 V365 A366S258-Q317 PolarHBondContact O-NE2 3.12Å; F274-Q317 HydrophobicContact CE2-CB 3.97Å; F274-Q317 HydrophobicContact CZ-CB 4.08Å; A302-Q317 HydrophobicContact CB-CG 4.24Å; G315-Q317 PolarHBondContact O-N 2.61Å; Q317-V365 CarbonylContact C-O 3.54Å; Q317-V365 WeakPolarHBondContact CA-O 3.19Å; Q317-A366 HydrophobicContact CG-CB 3.93Å
318Y91Very high87.8Confident10 Ų1043.6 Ų43.64%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-135.7142.7179-62.6-80.2000110.9N316 I364 V365 T367 P370 I371 I403 D405N316-Y318 HydrophobicContact CB-CE2 3.64Å; N316-Y318 WeakPolarHBondContact O-CD2 3.39Å; Y318-I364 WeakPolarHBondContact O-CA 3.42Å; Y318-V365 PolarHBondContact N-O 2.73Å; Y318-V365 PolarHBondContact O-N 2.91Å; Y318-T367 HydrophobicContact CD2-CG2 4.22Å; Y318-T367 WeakPolarHBondContact CE2-OG1 3.34Å; Y318-P370 VanDerWaalsContact OH-CA 3.27Å; Y318-P370 WeakPolarHBondContact OH-CA 3.43Å; Y318-I371 HydrophobicContact CD1-CB 4.44Å; Y318-I371 HydrophobicContact CD1-CD1 4.4Å; Y318-I371 HydrophobicContact CD2-CB 4.49Å; Y318-I371 HydrophobicContact CD2-CD1 3.69Å; Y318-I371 HydrophobicContact CD2-CG1 3.99Å; Y318-I371 HydrophobicContact CE1-CB 3.98Å; Y318-I371 HydrophobicContact CE2-CB 4.03Å; Y318-I371 HydrophobicContact CE2-CD1 4Å; Y318-I371 HydrophobicContact CE2-CG1 3.75Å; Y318-I371 HydrophobicContact CG-CD1 3.92Å; Y318-I371 HydrophobicContact CG-CG1 4.49Å; Y318-I371 PolarHBondContact OH-N 2.91Å; Y318-I403 HydrophobicContact CD1-CG2 3.89Å; Y318-I403 HydrophobicContact CG-CG2 4.32Å; Y318-D405 HydrophobicContact CD1-CB 4.19Å; Y318-D405 HydrophobicContact CE1-CB 4.11Å; Y318-D405 WeakPolarHBondContact CE1-OD1 3.42Å
319G91.5Very high89.6Confident0 Ų040 Ų400%019%0.189CC..EExtended strand (participates in β ladder)trans-101.4107173.800000111.2F274 L404F274-G319 VanDerWaalsContact CE1-N 3.34Å; G319-L404 PolarHBondContact N-O 2.83Å; G319-L404 WeakPolarHBondContact O-CB 2.94Å; G319-L404 WeakPolarHBondContact O-CG 3.26Å; G319-L404 PolarHBondContact O-N 3.3Å
320F91.1Very high90.9Very high0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-86.6118.4175.6-70.4-81.3000110.7L334 I346 L348 V362 K363 V365 I371 F401 I403F320-L334 HydrophobicContact CD1-CD1 3.48Å; F320-L334 VanDerWaalsContact CD1-CD1 3.48Å; F320-L334 HydrophobicContact CD2-CD1 4.36Å; F320-L334 HydrophobicContact CE1-CD1 3.21Å; F320-L334 HydrophobicContact CE2-CD1 4.17Å; F320-L334 HydrophobicContact CG-CD1 4.03Å; F320-L334 HydrophobicContact CZ-CD1 3.59Å; F320-I346 HydrophobicContact CE2-CD1 4.12Å; F320-I346 HydrophobicContact CE2-CG2 4.22Å; F320-I346 HydrophobicContact CZ-CD1 4.05Å; F320-L348 HydrophobicContact CB-CD2 3.77Å; F320-L348 HydrophobicContact CD2-CD2 4.04Å; F320-L348 HydrophobicContact CG-CD2 3.94Å; F320-V362 CarbonylContact O-C 3.55Å; F320-V362 WeakPolarHBondContact O-CA 3.27Å; F320-K363 PolarHBondContact N-O 2.98Å; F320-K363 PolarHBondContact O-N 3.05Å; F320-V365 HydrophobicContact CD2-CG2 3.7Å; F320-V365 HydrophobicContact CE2-CG2 3.4Å; F320-I371 HydrophobicContact CE1-CD1 4.48Å; F320-I371 HydrophobicContact CE2-CD1 4.34Å; F320-I371 HydrophobicContact CZ-CD1 3.6Å; F320-F401 HydrophobicContact CD1-CE1 4.4Å; F320-F401 AromaticContact CD1-CE2 3.72Å; F320-F401 HydrophobicContact CD1-CE2 3.72Å; F320-F401 AromaticContact CD1-CZ 3.42Å; F320-F401 HydrophobicContact CD1-CZ 3.42Å; F320-F401 VanDerWaalsContact CD1-CZ 3.42Å; F320-F401 HydrophobicContact CE1-CE2 4.44Å; F320-F401 AromaticContact CE1-CZ 3.72Å; F320-F401 HydrophobicContact CE1-CZ 3.72Å; F320-I403 HydrophobicContact CD1-CD1 4.36Å; F320-I403 HydrophobicContact CD1-CG1 3.84Å; F320-I403 HydrophobicContact CE1-CB 4.47Å; F320-I403 HydrophobicContact CE1-CD1 3.62Å; F320-I403 HydrophobicContact CE1-CG1 3.6Å; F320-I403 HydrophobicContact CE1-CG2 4.22Å; F320-I403 HydrophobicContact CZ-CD1 4.38Å
321V91.1Very high91.7Very high27 Ų2728.1 Ų28.116%0.16415%0.146CC..EExtended strand (participates in β ladder)trans-100.5122.5175.6-168.70000108.8K361 V362 F401 S402 L404V321-K361 WeakPolarHBondContact CA-O 3.36Å; V321-V362 HydrophobicContact CG1-CG2 4.42Å; V321-V362 HydrophobicContact CG2-CG2 4.16Å; V321-F401 WeakPolarHBondContact O-CA 3.44Å; V321-S402 WeakPolarHBondContact CB-OG 3.28Å; V321-S402 PolarHBondContact N-O 2.97Å; V321-S402 PolarHBondContact O-N 3.13Å; V321-S402 VanDerWaalsContact O-N 3.1Å; V321-L404 HydrophobicContact CG2-CD1 3.93Å; V321-L404 HydrophobicContact CG2-CD2 4.36Å; V321-L404 HydrophobicContact CG2-CG 3.92Å
322I91.9Very high92.2Very high1 Ų125.5 Ų25.51%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-125.7128.9-174.1-49.4150.6000108.4L332 L348 L355 S360 K361 L398 F401I322-L332 HydrophobicContact CD1-CD2 4.03Å; I322-L332 HydrophobicContact CG2-CD2 3.87Å; I322-L348 HydrophobicContact CD1-CB 3.67Å; I322-L348 HydrophobicContact CD1-CD1 3.57Å; I322-L348 HydrophobicContact CD1-CD2 4.21Å; I322-L348 HydrophobicContact CD1-CG 4.02Å; I322-L348 HydrophobicContact CG1-CD1 4.21Å; I322-L355 HydrophobicContact CB-CD2 4.27Å; I322-L355 HydrophobicContact CG2-CD2 3.97Å; I322-S360 WeakPolarHBondContact O-CA 3.24Å; I322-K361 PolarHBondContact N-O 3.44Å; I322-K361 PolarHBondContact O-N 3.21Å; I322-L398 HydrophobicContact CG2-CD1 3.94Å; I322-F401 HydrophobicContact CG1-CD2 4.24Å; I322-F401 HydrophobicContact CG1-CE2 4.45Å
323K91.9Very high92.4Very high74 Ų7425.6 Ų25.632%0.32212%0.117SC..EExtended strand (participates in β ladder)trans-131115.1174.6-169.1175.6-175.5176.70110P357 K399 A400K323-P357 WeakPolarHBondContact CE-O 3.41Å; K323-P357 WeakPolarHBondContact CG-O 3.4Å; K323-K399 HydrophobicContact CG-CB 4.42Å; K323-K399 WeakPolarHBondContact O-CB 3.3Å; K323-K399 PolarHBondContact O-N 2.53Å; K323-A400 HydrophobicContact CB-CB 4.08Å; K323-A400 PolarHBondContact N-O 3.2Å; K323-A400 PolarHBondContact O-N 3.5Å
324P93.4Very high92.3Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-82.8160.4176.636.4-35000110.8R326 I328 L355 P357 W396P324-R326 VanDerWaalsContact C-N 3.32Å; P324-R326 VanDerWaalsContact CB-O 3.28Å; P324-R326 WeakPolarHBondContact CB-O 3.3Å; P324-R326 VanDerWaalsContact CG-O 3.24Å; P324-R326 WeakPolarHBondContact CG-O 3.49Å; P324-I328 HydrophobicContact CB-CD1 4.29Å; P324-I328 HydrophobicContact CB-CG1 4.23Å; P324-I328 HydrophobicContact CB-CG2 4.27Å; P324-I328 HydrophobicContact CG-CG1 4.3Å; P324-L355 HydrophobicContact CG-CB 4.24Å; P324-L355 HydrophobicContact CG-CD2 3.96Å; P324-L355 HydrophobicContact CG-CG 3.71Å; P324-P357 WeakPolarHBondContact O-CA 3.46Å; P324-W396 HydrophobicContact CB-CE3 3.59Å; P324-W396 HydrophobicContact CB-CZ3 3.63Å
325D93.9Very high92.3Very high40 Ų4028.2 Ų28.221%0.21413%0.129CC..SBendtrans-70.7-30.6172.772.8-46.2000113.6P357 W396 E397 K399D325-P357 VanDerWaalsContact O-CB 3.25Å; D325-P357 WeakPolarHBondContact O-CB 3.44Å; D325-W396 WeakPolarHBondContact OD1-CB 3.45Å; D325-E397 HydrophobicContact CB-CB 4.04Å; D325-E397 WeakPolarHBondContact CB-O 3.35Å; D325-E397 VanDerWaalsContact CG-N 3.31Å; D325-E397 PolarHBondContact N-O 3.3Å; D325-E397 PolarHBondContact OD1-N 2.88Å; D325-E397 VanDerWaalsContact OD1-O 3.06Å; D325-K399 VanDerWaalsContact CA-CE 3.49Å; D325-K399 HydrophobicContact CB-CD 4.18Å; D325-K399 HydrophobicContact CB-CG 3.86Å; D325-K399 PolarHBondContact O-NZ 3.33Å
326R93.9Very high92.4Very high134 Ų13427.8 Ų27.851%0.50612%0.124SC..SBendtrans-141.2177.4-177.171.4-169.1-56.9174.67.9112P324 I328 W396P324-R326 VanDerWaalsContact C-N 3.32Å; P324-R326 VanDerWaalsContact CB-O 3.28Å; P324-R326 WeakPolarHBondContact CB-O 3.3Å; P324-R326 VanDerWaalsContact CG-O 3.24Å; P324-R326 WeakPolarHBondContact CG-O 3.49Å; R326-I328 PolarHBondContact O-N 3.26Å; R326-W396 HydrophobicContact CG-CB 3.98Å
327W94.2Very high92.6Very high37 Ų3730.6 Ų30.614%0.1413%0.13CC..  trans-64.7130.4173.5169.380.6000111.2K329 E354 L355 Y356 K390 N391W327-K329 HydrophobicContact CH2-CB 4.08Å; W327-K329 HydrophobicContact CZ2-CB 3.81Å; W327-K329 HydrophobicContact CZ2-CD 4.14Å; W327-E354 HydrophobicContact CZ2-CG 4.46Å; W327-E354 PolarHBondContact NE1-OE2 3.49Å; W327-L355 CarbonylContact C-O 3.31Å; W327-L355 WeakPolarHBondContact CA-O 3.37Å; W327-Y356 HydrophobicContact CB-CD1 4.32Å; W327-Y356 AromaticContact CD1-CD1 3.62Å; W327-Y356 AromaticContact CD1-CE1 3.27Å; W327-Y356 AromaticContact CD1-CE2 3.73Å; W327-Y356 AromaticContact CD1-CZ 3.31Å; W327-Y356 HydrophobicContact CG-CD1 4.32Å; W327-Y356 HydrophobicContact CG-CE1 4.11Å; W327-Y356 AromaticContact NE1-CE1 3.88Å; W327-Y356 AromaticContact NE1-CE2 3.96Å; W327-Y356 AromaticContact NE1-CZ 3.5Å; W327-Y356 PolarHBondContact NE1-OH 2.81Å; W327-K390 HydrophobicContact CH2-CB 4.2Å; W327-K390 HydrophobicContact CH2-CD 3.48Å; W327-K390 VanDerWaalsContact CH2-CD 3.48Å; W327-K390 HydrophobicContact CH2-CG 3.61Å; W327-K390 HydrophobicContact CZ2-CD 3.99Å; W327-K390 HydrophobicContact CZ2-CG 4.42Å; W327-K390 HydrophobicContact CZ3-CD 3.84Å; W327-K390 VanDerWaalsContact CZ3-CE 3.44Å; W327-K390 HydrophobicContact CZ3-CG 4.07Å; W327-N391 VanDerWaalsContact CH2-O 3.23Å; W327-N391 WeakPolarHBondContact CH2-O 3.5Å; W327-N391 WeakPolarHBondContact CZ3-O 3.44Å
328I94.3Very high92.5Very high0 Ų030.2 Ų30.20%013%0.128CC..EExtended strand (participates in β ladder)trans-128.3152.4175.663.1162000111P324 R326 L349 E354 L355 P393 W396P324-I328 HydrophobicContact CB-CD1 4.29Å; P324-I328 HydrophobicContact CB-CG1 4.23Å; P324-I328 HydrophobicContact CB-CG2 4.27Å; P324-I328 HydrophobicContact CG-CG1 4.3Å; R326-I328 PolarHBondContact O-N 3.26Å; I328-L349 HydrophobicContact CD1-CD2 4.19Å; I328-E354 CarbonylContact O-C 3.56Å; I328-E354 WeakPolarHBondContact O-CA 3.15Å; I328-L355 HydrophobicContact CD1-CB 4.12Å; I328-L355 HydrophobicContact CD1-CD2 4.37Å; I328-L355 HydrophobicContact CG1-CB 3.7Å; I328-L355 PolarHBondContact N-O 3.42Å; I328-L355 PolarHBondContact O-N 3.22Å; I328-P393 HydrophobicContact CB-CG 4.48Å; I328-P393 HydrophobicContact CG2-CG 3.88Å; I328-W396 HydrophobicContact CD1-CD2 4.39Å; I328-W396 HydrophobicContact CD1-CH2 4.1Å; I328-W396 HydrophobicContact CD1-CZ2 3.92Å; I328-W396 HydrophobicContact CD1-CZ3 4.41Å; I328-W396 HydrophobicContact CG2-CB 3.81Å; I328-W396 HydrophobicContact CG2-CD2 3.7Å; I328-W396 HydrophobicContact CG2-CE3 4.19Å; I328-W396 HydrophobicContact CG2-CG 3.49Å; I328-W396 VanDerWaalsContact CG2-CG 3.49Å
329K94Very high92.3Very high24 Ų2436.6 Ų36.610%0.10416%0.158CC..EExtended strand (participates in β ladder)trans-143.6132.1173.8-172.6176.4-170.8151.80109.7W327 E353 E354 Y381 Y384 G392W327-K329 HydrophobicContact CH2-CB 4.08Å; W327-K329 HydrophobicContact CZ2-CB 3.81Å; W327-K329 HydrophobicContact CZ2-CD 4.14Å; K329-E353 WeakPolarHBondContact CA-O 3.46Å; K329-E354 HydrophobicContact CB-CG 3.99Å; K329-E354 HydrophobicContact CD-CG 3.78Å; K329-E354 WeakPolarHBondContact CD-OE1 3.39Å; K329-E354 WeakPolarHBondContact CE-OE1 3.47Å; K329-E354 HydrophobicContact CG-CG 3.68Å; K329-E354 IonicContact NZ-OE1 3.76Å; K329-E354 PolarHBondContact NZ-OE1 3.04Å; K329-Y381 PolarHBondContact O-OH 3.45Å; K329-Y384 HydrophobicContact CD-CD1 3.78Å; K329-Y384 HydrophobicContact CD-CE1 4.49Å; K329-Y384 HydrophobicContact CD-CG 4.02Å; K329-Y384 HydrophobicContact CG-CD1 4.33Å; K329-Y384 HydrophobicContact CG-CG 4.07Å; K329-Y384 PolarHBondContact O-N 2.88Å; K329-G392 WeakPolarHBondContact O-CA 3.41Å
330G93Very high92.1Very high0 Ų041.4 Ų41.40%018%0.184CC..EExtended strand (participates in β ladder)trans139.9-174.5-178.400000113.2L349 A350 E351 E353 K382G330-L349 VanDerWaalsContact O-CD2 3.24Å; G330-L349 WeakPolarHBondContact O-CD2 3.49Å; G330-L349 VanDerWaalsContact O-CG 3.3Å; G330-L349 WeakPolarHBondContact O-CG 3.49Å; G330-A350 VanDerWaalsContact O-O 3.12Å; G330-E351 VanDerWaalsContact CA-O 3.28Å; G330-E351 WeakPolarHBondContact CA-O 3.33Å; G330-E351 PolarHBondContact N-O 3.49Å; G330-E353 PolarHBondContact N-O 3.48Å; G330-K382 CarbonylContact C-O 3.52Å; G330-K382 WeakPolarHBondContact CA-O 3.43Å
331N93Very high91.8Very high39 Ų3943.8 Ų43.821%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-76.5134.8177.4-66.296.8000110.4W333 L349 E351 Y381 K382N331-W333 HydrophobicContact CB-CE3 3.73Å; N331-W333 HydrophobicContact CB-CZ3 3.47Å; N331-W333 VanDerWaalsContact CB-CZ3 3.47Å; N331-L349 VanDerWaalsContact CA-O 3.3Å; N331-L349 WeakPolarHBondContact CA-O 3.35Å; N331-E351 PolarHBondContact ND2-N 3.43Å; N331-E351 VanDerWaalsContact ND2-N 3.19Å; N331-E351 WeakPolarHBondContact OD1-CA 3.41Å; N331-E351 VanDerWaalsContact OD1-CB 3.25Å; N331-E351 WeakPolarHBondContact OD1-CB 3.33Å; N331-Y381 WeakPolarHBondContact O-CA 3.21Å; N331-Y381 WeakPolarHBondContact O-CD2 3.44Å; N331-K382 HydrophobicContact CB-CB 4.36Å; N331-K382 PolarHBondContact N-O 3.17Å; N331-K382 PolarHBondContact O-N 2.99Å
332L93.5Very high91.7Very high1 Ų146.1 Ų46.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-128.9126.1170.3-169.567.3000107.5I322 L348 L349 L379 M380 Y381 W396I322-L332 HydrophobicContact CD1-CD2 4.03Å; I322-L332 HydrophobicContact CG2-CD2 3.87Å; L332-L348 HydrophobicContact CB-CB 4.33Å; L332-L348 HydrophobicContact CD2-CB 4.33Å; L332-L348 HydrophobicContact CD2-CD1 4.38Å; L332-L348 HydrophobicContact CG-CB 4.29Å; L332-L348 HydrophobicContact CG-CD1 4.38Å; L332-L348 WeakPolarHBondContact O-CA 3.33Å; L332-L348 WeakPolarHBondContact O-CB 3.45Å; L332-L348 PolarHBondContact O-N 2.83Å; L332-L349 HydrophobicContact CB-CB 3.45Å; L332-L349 VanDerWaalsContact CB-CB 3.45Å; L332-L349 HydrophobicContact CB-CD2 4.44Å; L332-L349 PolarHBondContact N-O 2.95Å; L332-L349 PolarHBondContact O-N 2.7Å; L332-L379 HydrophobicContact CD1-CD1 3.54Å; L332-L379 HydrophobicContact CD1-CD2 4.11Å; L332-L379 HydrophobicContact CD1-CG 3.76Å; L332-L379 HydrophobicContact CD2-CD1 4.08Å; L332-L379 HydrophobicContact CG-CD1 3.67Å; L332-L379 HydrophobicContact CG-CG 4.44Å; L332-M380 WeakPolarHBondContact CA-O 3.34Å; L332-M380 WeakPolarHBondContact CD1-O 3.5Å; L332-Y381 HydrophobicContact CD1-CD2 4.41Å; L332-W396 HydrophobicContact CD1-CH2 4.26Å; L332-W396 HydrophobicContact CD1-CZ2 3.71Å; L332-W396 HydrophobicContact CD2-CH2 4.45Å
333W92.5Very high91.5Very high60 Ų6051 Ų5123%0.22724%0.242CC..EExtended strand (participates in β ladder)trans-141154.2176.562.994.4000110.9N331 I345 I346 M380 K382N331-W333 HydrophobicContact CB-CE3 3.73Å; N331-W333 HydrophobicContact CB-CZ3 3.47Å; N331-W333 VanDerWaalsContact CB-CZ3 3.47Å; W333-I345 HydrophobicContact CB-CG2 4.02Å; W333-I345 HydrophobicContact CG-CG2 4.05Å; W333-I346 CarbonylContact C-O 3.58Å; W333-I346 WeakPolarHBondContact CA-O 3.44Å; W333-I346 WeakPolarHBondContact CB-O 3.35Å; W333-M380 HydrophobicContact CD2-CB 3.85Å; W333-M380 HydrophobicContact CG-CB 4.1Å; W333-M380 HydrophobicContact CH2-CB 4.48Å; W333-M380 HydrophobicContact CZ2-CB 3.75Å; W333-M380 PolarHBondContact N-O 3.06Å; W333-M380 VanDerWaalsContact NE1-CB 3.3Å; W333-M380 PolarHBondContact O-N 3.47Å; W333-K382 HydrophobicContact CH2-CB 3.7Å; W333-K382 HydrophobicContact CZ3-CB 3.69Å
334L91.7Very high91.4Very high1 Ų149.2 Ų49.21%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-98.4139.8168.7-54.5167.7000108.9F320 I345 I346 L348 V377 S378 L379 F401F320-L334 HydrophobicContact CD1-CD1 3.48Å; F320-L334 VanDerWaalsContact CD1-CD1 3.48Å; F320-L334 HydrophobicContact CD2-CD1 4.36Å; F320-L334 HydrophobicContact CE1-CD1 3.21Å; F320-L334 HydrophobicContact CE2-CD1 4.17Å; F320-L334 HydrophobicContact CG-CD1 4.03Å; F320-L334 HydrophobicContact CZ-CD1 3.59Å; L334-I345 CarbonylContact O-C 3.57Å; L334-I345 WeakPolarHBondContact O-CA 3.42Å; L334-I346 HydrophobicContact CB-CB 4.16Å; L334-I346 PolarHBondContact N-O 2.83Å; L334-I346 PolarHBondContact O-N 3.19Å; L334-L348 HydrophobicContact CD1-CD1 3.81Å; L334-L348 HydrophobicContact CD1-CD2 4.22Å; L334-L348 HydrophobicContact CD1-CG 4.32Å; L334-L348 HydrophobicContact CD2-CD1 3.74Å; L334-L348 HydrophobicContact CG-CD1 3.43Å; L334-L348 VanDerWaalsContact CG-CD1 3.43Å; L334-L348 HydrophobicContact CG-CD2 4.49Å; L334-L348 HydrophobicContact CG-CG 4.07Å; L334-V377 HydrophobicContact CB-CG1 3.93Å; L334-V377 HydrophobicContact CD1-CG1 3.97Å; L334-V377 HydrophobicContact CD2-CG1 3.65Å; L334-V377 HydrophobicContact CG-CG1 4.05Å; L334-S378 CarbonylContact C-O 3.58Å; L334-S378 WeakPolarHBondContact CA-O 3.26Å; L334-L379 HydrophobicContact CD2-CB 4.03Å; L334-L379 HydrophobicContact CD2-CD1 3.38Å; L334-L379 HydrophobicContact CD2-CG 4.32Å; L334-L379 HydrophobicContact CG-CD1 4.38Å; L334-F401 HydrophobicContact CD1-CE2 4.07Å; L334-F401 HydrophobicContact CD1-CZ 3.71Å; L334-F401 HydrophobicContact CD2-CE2 3.85Å; L334-F401 HydrophobicContact CD2-CZ 3.73Å; L334-F401 HydrophobicContact CG-CZ 4.38Å
335F91.8Very high91.2Very high58 Ų5854.4 Ų54.425%0.25426%0.262SS..EExtended strand (participates in β ladder)trans-99.4111.8160.6-174-99.3000107.9R337 Q343 I345 V377 S378F335-R337 HydrophobicContact CE1-CB 4.44Å; F335-Q343 HydrophobicContact CE1-CG 4.38Å; F335-Q343 HydrophobicContact CE2-CB 4.25Å; F335-Q343 HydrophobicContact CZ-CB 3.95Å; F335-Q343 HydrophobicContact CZ-CG 3.92Å; F335-I345 HydrophobicContact CD2-CG1 4.02Å; F335-V377 WeakPolarHBondContact O-CA 3.49Å; F335-S378 PolarHBondContact N-O 2.93Å; F335-S378 PolarHBondContact O-N 2.94Å
336A91.2Very high91Very high0 Ų053 Ų530%025%0.254CS..EExtended strand (participates in β ladder)trans-99.6129176.400000109.3Y338 Q343 E344 I346 T375 I376A336-Y338 HydrophobicContact CB-CE2 4.24Å; A336-Q343 CarbonylContact O-C 3.59Å; A336-Q343 VanDerWaalsContact O-CA 3.27Å; A336-Q343 WeakPolarHBondContact O-CA 3.32Å; A336-E344 PolarHBondContact N-O 2.97Å; A336-E344 PolarHBondContact O-N 3.37Å; A336-I346 HydrophobicContact CB-CD1 4.32Å; A336-T375 HydrophobicContact CB-CG2 4.4Å; A336-I376 WeakPolarHBondContact CA-O 2.94Å
337R92.8Very high90.7Very high122 Ų12250.6 Ų50.646%0.4625%0.251SS..EExtended strand (participates in β ladder)trans-118116.7170.8-178-176.5-61.9174.82.3108.5F335 Q343 I376F335-R337 HydrophobicContact CE1-CB 4.44Å; R337-Q343 HydrophobicContact CB-CG 4.31Å; R337-Q343 HydrophobicContact CG-CG 4.1Å; R337-Q343 VanDerWaalsContact NE-NE2 3.14Å; R337-I376 HydrophobicContact CB-CB 4.47Å; R337-I376 PolarHBondContact N-O 3.21Å; R337-I376 PolarHBondContact O-N 2.79Å
338Y90.6Very high90.5Very high7 Ų748.9 Ų48.93%0.02725%0.245CC..  trans-87.5160.6-178.8-55.5-80.7000111.1A336 N340 G341 N342 E344 T367 T369 I371 T375A336-Y338 HydrophobicContact CB-CE2 4.24Å; Y338-N340 VanDerWaalsContact C-N 3.29Å; Y338-N340 WeakPolarHBondContact CB-OD1 3.46Å; Y338-N340 PolarHBondContact O-N 3.01Å; Y338-G341 PolarHBondContact O-N 3.4Å; Y338-N342 HydrophobicContact CD2-CB 3.81Å; Y338-N342 WeakPolarHBondContact CD2-O 3.17Å; Y338-N342 HydrophobicContact CG-CB 4.5Å; Y338-N342 PolarHBondContact N-O 2.77Å; Y338-E344 HydrophobicContact CE2-CB 4.06Å; Y338-E344 HydrophobicContact CE2-CG 3.91Å; Y338-E344 PolarHBondContact OH-OE2 3.38Å; Y338-T367 WeakPolarHBondContact OH-CB 3.4Å; Y338-T369 HydrophobicContact CD1-CG2 3.73Å; Y338-T369 HydrophobicContact CE1-CG2 4.31Å; Y338-T369 WeakPolarHBondContact CE1-O 3.33Å; Y338-T369 HydrophobicContact CG-CG2 3.85Å; Y338-I371 HydrophobicContact CE1-CG1 4.12Å; Y338-T375 HydrophobicContact CD1-CG2 3.9Å; Y338-T375 HydrophobicContact CE1-CG2 4Å
339E87.8Confident90.3Very high144 Ų14449 Ų4967%0.67325%0.246SC*.THydrogen-bonded Turntrans-58.6-40-178.8-166.7-161.717300112.2G341 E374E339-G341 PolarHBondContact O-N 2.81Å; E339-E374 WeakPolarHBondContact CG-OE2 2.99Å
340N86.8Confident90Very high101 Ų10149 Ų4954%0.5425%0.249SC..THydrogen-bonded Turntrans-68.42.4176.567.76.2000114.3Y338 N342Y338-N340 VanDerWaalsContact C-N 3.29Å; Y338-N340 WeakPolarHBondContact CB-OD1 3.46Å; Y338-N340 PolarHBondContact O-N 3.01Å; N340-N342 VanDerWaalsContact C-N 3.31Å; N340-N342 PolarHBondContact ND2-ND2 3.41Å; N340-N342 VanDerWaalsContact ND2-ND2 3.2Å; N340-N342 PolarHBondContact O-N 2.85Å; N340-N342 WeakPolarHBondContact OD1-CB 3.27Å; N340-N342 VanDerWaalsContact OD1-CG 3.27Å; N340-N342 PolarHBondContact OD1-N 2.85Å; N340-N342 PolarHBondContact OD1-ND2 2.92Å
341G85.5Confident89.6Confident50 Ų5053.7 Ų53.752%0.51527%0.272SS..SBendtrans86.3-6.5-179.900000114.5Y338 E339Y338-G341 PolarHBondContact O-N 3.4Å; E339-G341 PolarHBondContact O-N 2.81Å
342N87.3Confident89.2Confident75 Ų7557.3 Ų57.340%0.40129%0.291SS..  trans-60.8149.5174.2-70.7-15.8000110.3Y338 N340 T369Y338-N342 HydrophobicContact CD2-CB 3.81Å; Y338-N342 WeakPolarHBondContact CD2-O 3.17Å; Y338-N342 HydrophobicContact CG-CB 4.5Å; Y338-N342 PolarHBondContact N-O 2.77Å; N340-N342 VanDerWaalsContact C-N 3.31Å; N340-N342 PolarHBondContact ND2-ND2 3.41Å; N340-N342 VanDerWaalsContact ND2-ND2 3.2Å; N340-N342 PolarHBondContact O-N 2.85Å; N340-N342 WeakPolarHBondContact OD1-CB 3.27Å; N340-N342 VanDerWaalsContact OD1-CG 3.27Å; N340-N342 PolarHBondContact OD1-N 2.85Å; N340-N342 PolarHBondContact OD1-ND2 2.92Å; N342-T369 PolarHBondContact ND2-OG1 2.77Å
343Q89.1Confident89Confident103 Ų10360.5 Ų60.548%0.48131%0.306SS..EExtended strand (participates in β ladder)trans-134.6136.8178.9-66.6176.4-9.900109.7F335 A336 R337F335-Q343 HydrophobicContact CE1-CG 4.38Å; F335-Q343 HydrophobicContact CE2-CB 4.25Å; F335-Q343 HydrophobicContact CZ-CB 3.95Å; F335-Q343 HydrophobicContact CZ-CG 3.92Å; A336-Q343 CarbonylContact O-C 3.59Å; A336-Q343 VanDerWaalsContact O-CA 3.27Å; A336-Q343 WeakPolarHBondContact O-CA 3.32Å; R337-Q343 HydrophobicContact CB-CG 4.31Å; R337-Q343 HydrophobicContact CG-CG 4.1Å; R337-Q343 VanDerWaalsContact NE-NE2 3.14Å
344E88.9Confident88.9Confident37 Ų3761 Ų6117%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-135.4145.6177.4-70.6-168.9161.700111.4R304 A336 Y338 T367 S368R304-E344 IonicContact NH2-OE1 3.72Å; A336-E344 PolarHBondContact N-O 2.97Å; A336-E344 PolarHBondContact O-N 3.37Å; Y338-E344 HydrophobicContact CE2-CB 4.06Å; Y338-E344 HydrophobicContact CE2-CG 3.91Å; Y338-E344 PolarHBondContact OH-OE2 3.38Å; E344-T367 WeakPolarHBondContact OE2-CA 3.32Å; E344-T367 WeakPolarHBondContact OE2-CB 3.46Å; E344-S368 VanDerWaalsContact CD-OG 3.23Å; E344-S368 WeakPolarHBondContact OE1-CB 3.36Å; E344-S368 PolarHBondContact OE1-N 2.93Å; E344-S368 PolarHBondContact OE1-OG 2.68Å; E344-S368 PolarHBondContact OE2-N 2.99Å; E344-S368 VanDerWaalsContact OE2-N 3.13Å
345I89.4Confident88.9Confident110 Ų11061.3 Ų61.356%0.56431%0.313SS*.EExtended strand (participates in β ladder)trans-102.4123.6169.9-63.5171.9000107.7W333 L334 F335W333-I345 HydrophobicContact CB-CG2 4.02Å; W333-I345 HydrophobicContact CG-CG2 4.05Å; L334-I345 CarbonylContact O-C 3.57Å; L334-I345 WeakPolarHBondContact O-CA 3.42Å; F335-I345 HydrophobicContact CD2-CG1 4.02Å
346I89.2Confident88.9Confident10 Ų1063.8 Ų63.85%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-111.3109.4-178.6-56.7175000108.7F320 W333 L334 A336 L348 V365 T367F320-I346 HydrophobicContact CE2-CD1 4.12Å; F320-I346 HydrophobicContact CE2-CG2 4.22Å; F320-I346 HydrophobicContact CZ-CD1 4.05Å; W333-I346 CarbonylContact C-O 3.58Å; W333-I346 WeakPolarHBondContact CA-O 3.44Å; W333-I346 WeakPolarHBondContact CB-O 3.35Å; L334-I346 HydrophobicContact CB-CB 4.16Å; L334-I346 PolarHBondContact N-O 2.83Å; L334-I346 PolarHBondContact O-N 3.19Å; A336-I346 HydrophobicContact CB-CD1 4.32Å; I346-L348 HydrophobicContact CG2-CD2 4.08Å; I346-L348 PolarHBondContact O-N 2.98Å; I346-V365 HydrophobicContact CG2-CB 4.06Å; I346-V365 HydrophobicContact CG2-CG1 3.73Å; I346-V365 HydrophobicContact CG2-CG2 3.75Å; I346-T367 HydrophobicContact CD1-CG2 3.76Å; I346-T367 HydrophobicContact CG1-CG2 4.45Å
347D89.1Confident88.7Confident83 Ų8365.1 Ų65.144%0.44433%0.329SS..EExtended strand (participates in β ladder)trans-74.1118.4177.6-65.2-48000111.7K363D347-K363 WeakPolarHBondContact O-CE 3.46Å
348L90.1Very high88.2Confident2 Ų265.8 Ų65.81%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-102.2-40.8-179.5-62.3179.2000113.1F320 I322 L332 L334 I346 K363 L379 F401F320-L348 HydrophobicContact CB-CD2 3.77Å; F320-L348 HydrophobicContact CD2-CD2 4.04Å; F320-L348 HydrophobicContact CG-CD2 3.94Å; I322-L348 HydrophobicContact CD1-CB 3.67Å; I322-L348 HydrophobicContact CD1-CD1 3.57Å; I322-L348 HydrophobicContact CD1-CD2 4.21Å; I322-L348 HydrophobicContact CD1-CG 4.02Å; I322-L348 HydrophobicContact CG1-CD1 4.21Å; L332-L348 HydrophobicContact CB-CB 4.33Å; L332-L348 HydrophobicContact CD2-CB 4.33Å; L332-L348 HydrophobicContact CD2-CD1 4.38Å; L332-L348 HydrophobicContact CG-CB 4.29Å; L332-L348 HydrophobicContact CG-CD1 4.38Å; L332-L348 WeakPolarHBondContact O-CA 3.33Å; L332-L348 WeakPolarHBondContact O-CB 3.45Å; L332-L348 PolarHBondContact O-N 2.83Å; L334-L348 HydrophobicContact CD1-CD1 3.81Å; L334-L348 HydrophobicContact CD1-CD2 4.22Å; L334-L348 HydrophobicContact CD1-CG 4.32Å; L334-L348 HydrophobicContact CD2-CD1 3.74Å; L334-L348 HydrophobicContact CG-CD1 3.43Å; L334-L348 VanDerWaalsContact CG-CD1 3.43Å; L334-L348 HydrophobicContact CG-CD2 4.49Å; L334-L348 HydrophobicContact CG-CG 4.07Å; I346-L348 HydrophobicContact CG2-CD2 4.08Å; I346-L348 PolarHBondContact O-N 2.98Å; L348-K363 HydrophobicContact CD2-CB 4.07Å; L348-K363 HydrophobicContact CD2-CG 4.09Å; L348-L379 HydrophobicContact CD1-CD1 3.84Å; L348-F401 HydrophobicContact CD1-CE2 4.42Å
349L89.2Confident87.8Confident3 Ų370.3 Ų70.32%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-134.1128.1179.4-163.766.1000109I328 G330 N331 L332 E353 L355 K361I328-L349 HydrophobicContact CD1-CD2 4.19Å; G330-L349 VanDerWaalsContact O-CD2 3.24Å; G330-L349 WeakPolarHBondContact O-CD2 3.49Å; G330-L349 VanDerWaalsContact O-CG 3.3Å; G330-L349 WeakPolarHBondContact O-CG 3.49Å; N331-L349 VanDerWaalsContact CA-O 3.3Å; N331-L349 WeakPolarHBondContact CA-O 3.35Å; L332-L349 HydrophobicContact CB-CB 3.45Å; L332-L349 VanDerWaalsContact CB-CB 3.45Å; L332-L349 HydrophobicContact CB-CD2 4.44Å; L332-L349 PolarHBondContact N-O 2.95Å; L332-L349 PolarHBondContact O-N 2.7Å; L349-E353 HydrophobicContact CD1-CB 3.3Å; L349-E353 HydrophobicContact CD1-CG 4.32Å; L349-E353 HydrophobicContact CG-CB 3.79Å; L349-L355 HydrophobicContact CD2-CB 4.44Å; L349-K361 HydrophobicContact CD1-CD 4Å
350A87.1Confident87.6Confident22 Ų2267 Ų6718%0.18236%0.36CS..  trans-78.4158.8172.600000111.1G330 N352 E353G330-A350 VanDerWaalsContact O-O 3.12Å; A350-N352 VanDerWaalsContact C-N 3.26Å; A350-N352 PolarHBondContact O-N 3.43Å; A350-E353 HydrophobicContact CB-CG 4.07Å; A350-E353 PolarHBondContact N-OE2 3.31Å; A350-E353 WeakPolarHBondContact O-CB 3.36Å; A350-E353 PolarHBondContact O-N 2.04Å
351E86.3Confident87.6Confident99 Ų9964.1 Ų64.146%0.46334%0.342SS..THydrogen-bonded Turntrans-49.1-40.9-172.2-180169.2-153.900114.7G330 N331 Y384G330-E351 VanDerWaalsContact CA-O 3.28Å; G330-E351 WeakPolarHBondContact CA-O 3.33Å; G330-E351 PolarHBondContact N-O 3.49Å; N331-E351 PolarHBondContact ND2-N 3.43Å; N331-E351 VanDerWaalsContact ND2-N 3.19Å; N331-E351 WeakPolarHBondContact OD1-CA 3.41Å; N331-E351 VanDerWaalsContact OD1-CB 3.25Å; N331-E351 WeakPolarHBondContact OD1-CB 3.33Å; E351-Y384 HydrophobicContact CG-CD2 3.69Å; E351-Y384 HydrophobicContact CG-CE2 4.17Å; E351-Y384 VanDerWaalsContact O-CD2 3.26Å; E351-Y384 WeakPolarHBondContact O-CD2 3.37Å
352N82.7Confident87.9Confident116 Ų11662.8 Ų62.862%0.6232%0.324SS*.THydrogen-bonded Turntrans-93.7-2.2-176.866.5-36.5000114A350A350-N352 VanDerWaalsContact C-N 3.26Å; A350-N352 PolarHBondContact O-N 3.43Å
353E89.4Confident88.1Confident68 Ų6862.1 Ų62.132%0.31832%0.317SS..  trans-82.2152.4178.8-67.7-174.5111.500111.4K329 G330 L349 A350 K361K329-E353 WeakPolarHBondContact CA-O 3.46Å; G330-E353 PolarHBondContact N-O 3.48Å; L349-E353 HydrophobicContact CD1-CB 3.3Å; L349-E353 HydrophobicContact CD1-CG 4.32Å; L349-E353 HydrophobicContact CG-CB 3.79Å; A350-E353 HydrophobicContact CB-CG 4.07Å; A350-E353 PolarHBondContact N-OE2 3.31Å; A350-E353 WeakPolarHBondContact O-CB 3.36Å; A350-E353 PolarHBondContact O-N 2.04Å; E353-K361 IonicContact OE1-NZ 2.77Å; E353-K361 PolarHBondContact OE1-NZ 3.2Å; E353-K361 IonicContact OE2-NZ 2.61Å; E353-K361 PolarHBondContact OE2-NZ 2.96Å
354E91.2Very high88.3Confident70 Ų7058 Ų5833%0.32730%0.299SS..EExtended strand (participates in β ladder)trans-121.1149.6-177.4-63.6-178.6-167.300109.9W327 I328 K329 Y356W327-E354 HydrophobicContact CZ2-CG 4.46Å; W327-E354 PolarHBondContact NE1-OE2 3.49Å; I328-E354 CarbonylContact O-C 3.56Å; I328-E354 WeakPolarHBondContact O-CA 3.15Å; K329-E354 HydrophobicContact CB-CG 3.99Å; K329-E354 HydrophobicContact CD-CG 3.78Å; K329-E354 WeakPolarHBondContact CD-OE1 3.39Å; K329-E354 WeakPolarHBondContact CE-OE1 3.47Å; K329-E354 HydrophobicContact CG-CG 3.68Å; K329-E354 IonicContact NZ-OE1 3.76Å; K329-E354 PolarHBondContact NZ-OE1 3.04Å; E354-Y356 HydrophobicContact CB-CE2 3.9Å; E354-Y356 PolarHBondContact OE2-OH 2.84Å
355L91.3Very high88.4Confident8 Ų857 Ų574%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-134135.7173.3-169.257.2000109.5I322 P324 W327 I328 L349 N359 K361I322-L355 HydrophobicContact CB-CD2 4.27Å; I322-L355 HydrophobicContact CG2-CD2 3.97Å; P324-L355 HydrophobicContact CG-CB 4.24Å; P324-L355 HydrophobicContact CG-CD2 3.96Å; P324-L355 HydrophobicContact CG-CG 3.71Å; W327-L355 CarbonylContact C-O 3.31Å; W327-L355 WeakPolarHBondContact CA-O 3.37Å; I328-L355 HydrophobicContact CD1-CB 4.12Å; I328-L355 HydrophobicContact CD1-CD2 4.37Å; I328-L355 HydrophobicContact CG1-CB 3.7Å; I328-L355 PolarHBondContact N-O 3.42Å; I328-L355 PolarHBondContact O-N 3.22Å; L349-L355 HydrophobicContact CD2-CB 4.44Å; L355-N359 WeakPolarHBondContact CD1-O 3.42Å; L355-K361 HydrophobicContact CD1-CB 3.44Å; L355-K361 VanDerWaalsContact CD1-CB 3.44Å; L355-K361 HydrophobicContact CD1-CD 4.46Å; L355-K361 HydrophobicContact CD2-CB 4.24Å; L355-K361 HydrophobicContact CG-CB 4.49Å
356Y91.9Very high88.5Confident109 Ų10952.3 Ų52.343%0.42727%0.273SS..  trans-113149.2-174.5-70.4-98.7000109.3W327 E354 D358 N359W327-Y356 HydrophobicContact CB-CD1 4.32Å; W327-Y356 AromaticContact CD1-CD1 3.62Å; W327-Y356 AromaticContact CD1-CE1 3.27Å; W327-Y356 AromaticContact CD1-CE2 3.73Å; W327-Y356 AromaticContact CD1-CZ 3.31Å; W327-Y356 HydrophobicContact CG-CD1 4.32Å; W327-Y356 HydrophobicContact CG-CE1 4.11Å; W327-Y356 AromaticContact NE1-CE1 3.88Å; W327-Y356 AromaticContact NE1-CE2 3.96Å; W327-Y356 AromaticContact NE1-CZ 3.5Å; W327-Y356 PolarHBondContact NE1-OH 2.81Å; E354-Y356 HydrophobicContact CB-CE2 3.9Å; E354-Y356 PolarHBondContact OE2-OH 2.84Å; Y356-D358 VanDerWaalsContact C-N 3.26Å; Y356-D358 PolarHBondContact O-N 2.95Å; Y356-N359 PolarHBondContact O-N 2.88Å; Y356-N359 VanDerWaalsContact O-O 3.08Å
357P86.9Confident88.5Confident28 Ų2851.8 Ų51.818%0.18227%0.27CS..THydrogen-bonded Turntrans-64.7-28.2-169.625.2-34.5000114.3K323 P324 D325K323-P357 WeakPolarHBondContact CE-O 3.41Å; K323-P357 WeakPolarHBondContact CG-O 3.4Å; P324-P357 WeakPolarHBondContact O-CA 3.46Å; D325-P357 VanDerWaalsContact O-CB 3.25Å; D325-P357 WeakPolarHBondContact O-CB 3.44Å
358D82.5Confident88.4Confident137 Ų13749.5 Ų49.573%0.73326%0.261SS*.THydrogen-bonded Turntrans-90-4.9179.8-59.6-41.3000113.2Y356Y356-D358 VanDerWaalsContact C-N 3.26Å; Y356-D358 PolarHBondContact O-N 2.95Å
359N82.8Confident88.2Confident102 Ų10250.5 Ų50.555%0.54527%0.267SS..  trans-112.3107.8-179.7-68.3-18.1000109.8L355 Y356 K361L355-N359 WeakPolarHBondContact CD1-O 3.42Å; Y356-N359 PolarHBondContact O-N 2.88Å; Y356-N359 VanDerWaalsContact O-O 3.08Å; N359-K361 PolarHBondContact O-N 2.92Å
360S83Confident88.1Confident74 Ų7453.5 Ų53.552%0.51729%0.286SS..PPolyproline II helixtrans-70.1128.2166.253.50000109.5I322I322-S360 WeakPolarHBondContact O-CA 3.24Å
361K87.4Confident88.2Confident41 Ų4153.3 Ų53.318%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-93.7130.8168.7-179.9170.7-168.6173.60108.7V321 I322 L349 E353 L355 N359V321-K361 WeakPolarHBondContact CA-O 3.36Å; I322-K361 PolarHBondContact N-O 3.44Å; I322-K361 PolarHBondContact O-N 3.21Å; L349-K361 HydrophobicContact CD1-CD 4Å; E353-K361 IonicContact OE1-NZ 2.77Å; E353-K361 PolarHBondContact OE1-NZ 3.2Å; E353-K361 IonicContact OE2-NZ 2.61Å; E353-K361 PolarHBondContact OE2-NZ 2.96Å; L355-K361 HydrophobicContact CD1-CB 3.44Å; L355-K361 VanDerWaalsContact CD1-CB 3.44Å; L355-K361 HydrophobicContact CD1-CD 4.46Å; L355-K361 HydrophobicContact CD2-CB 4.24Å; L355-K361 HydrophobicContact CG-CB 4.49Å; N359-K361 PolarHBondContact O-N 2.92Å
362V90.9Very high88.2Confident21 Ų2152.2 Ų52.213%0.12728%0.28CS..EExtended strand (participates in β ladder)trans-99.7132.2167.8-171.30000108.1K270 F320 V321 I364K270-V362 VanDerWaalsContact O-CG2 3.26Å; K270-V362 WeakPolarHBondContact O-CG2 3.36Å; F320-V362 CarbonylContact O-C 3.55Å; F320-V362 WeakPolarHBondContact O-CA 3.27Å; V321-V362 HydrophobicContact CG1-CG2 4.42Å; V321-V362 HydrophobicContact CG2-CG2 4.16Å; V362-I364 HydrophobicContact CG1-CG1 4.41Å
363K91.5Very high88.3Confident61 Ų6157 Ų5727%0.26530%0.295SS..EExtended strand (participates in β ladder)trans-123.5112.2172.4-176.473.2178.6177.60109F320 D347 L348 V365F320-K363 PolarHBondContact N-O 2.98Å; F320-K363 PolarHBondContact O-N 3.05Å; D347-K363 WeakPolarHBondContact O-CE 3.46Å; L348-K363 HydrophobicContact CD2-CB 4.07Å; L348-K363 HydrophobicContact CD2-CG 4.09Å; K363-V365 HydrophobicContact CG-CG1 3.7Å
364I93.3Very high88.3Confident18 Ų1859.3 Ų59.39%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-87129.2173-52.6168000108.4W268 F274 A302 Y318 V362W268-I364 HydrophobicContact CD2-CD1 3.9Å; W268-I364 HydrophobicContact CE3-CD1 3.5Å; W268-I364 HydrophobicContact CH2-CB 3.95Å; W268-I364 HydrophobicContact CH2-CD1 3.46Å; W268-I364 VanDerWaalsContact CH2-CD1 3.46Å; W268-I364 HydrophobicContact CH2-CG1 4.31Å; W268-I364 HydrophobicContact CH2-CG2 3.61Å; W268-I364 HydrophobicContact CZ2-CB 4Å; W268-I364 HydrophobicContact CZ2-CD1 3.82Å; W268-I364 HydrophobicContact CZ2-CG2 4.07Å; W268-I364 HydrophobicContact CZ3-CD1 3.27Å; W268-I364 HydrophobicContact CZ3-CG2 4.36Å; F274-I364 HydrophobicContact CB-CD1 3.85Å; F274-I364 HydrophobicContact CB-CG1 4.48Å; F274-I364 HydrophobicContact CD2-CD1 3.72Å; F274-I364 HydrophobicContact CD2-CG1 4.08Å; F274-I364 HydrophobicContact CD2-CG2 3.8Å; F274-I364 HydrophobicContact CE2-CG2 3.53Å; F274-I364 HydrophobicContact CG-CD1 3.95Å; F274-I364 HydrophobicContact CG-CG1 4.22Å; F274-I364 HydrophobicContact CZ-CG2 4.19Å; A302-I364 HydrophobicContact CB-CG2 4Å; Y318-I364 WeakPolarHBondContact O-CA 3.42Å; V362-I364 HydrophobicContact CG1-CG1 4.41Å
365V91.9Very high88.2Confident15 Ų1556.7 Ų56.79%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-136.3159.8-179-53.90000109.8Q317 Y318 F320 I346 K363 T367Q317-V365 CarbonylContact C-O 3.54Å; Q317-V365 WeakPolarHBondContact CA-O 3.19Å; Y318-V365 PolarHBondContact N-O 2.73Å; Y318-V365 PolarHBondContact O-N 2.91Å; F320-V365 HydrophobicContact CD2-CG2 3.7Å; F320-V365 HydrophobicContact CE2-CG2 3.4Å; I346-V365 HydrophobicContact CG2-CB 4.06Å; I346-V365 HydrophobicContact CG2-CG1 3.73Å; I346-V365 HydrophobicContact CG2-CG2 3.75Å; K363-V365 HydrophobicContact CG-CG1 3.7Å; V365-T367 HydrophobicContact CG2-CG2 4.47Å
366A91.9Very high88.2Confident11 Ų1161.2 Ų61.29%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-113.6135.6168.900000110.2A302 R304 N316 Q317A302-A366 HydrophobicContact CB-CB 4.38Å; R304-A366 HydrophobicContact CG-CB 3.98Å; R304-A366 WeakPolarHBondContact CG-O 3.32Å; N316-A366 CarbonylContact O-C 3.6Å; N316-A366 VanDerWaalsContact O-CA 3.27Å; N316-A366 WeakPolarHBondContact O-CA 3.23Å; Q317-A366 HydrophobicContact CG-CB 3.93Å
367T89.4Confident88Confident0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-114.3156.117962.90000111.5G315 N316 Y318 Y338 E344 I346 V365 T369 I371G315-T367 CarbonylContact C-O 3.52Å; G315-T367 VanDerWaalsContact CA-O 3.31Å; G315-T367 WeakPolarHBondContact CA-O 3.41Å; N316-T367 PolarHBondContact N-O 2.83Å; N316-T367 PolarHBondContact O-N 3Å; N316-T367 PolarHBondContact O-OG1 2.96Å; Y318-T367 HydrophobicContact CD2-CG2 4.22Å; Y318-T367 WeakPolarHBondContact CE2-OG1 3.34Å; Y338-T367 WeakPolarHBondContact OH-CB 3.4Å; E344-T367 WeakPolarHBondContact OE2-CA 3.32Å; E344-T367 WeakPolarHBondContact OE2-CB 3.46Å; I346-T367 HydrophobicContact CD1-CG2 3.76Å; I346-T367 HydrophobicContact CG1-CG2 4.45Å; V365-T367 HydrophobicContact CG2-CG2 4.47Å; T367-T369 PolarHBondContact OG1-O 3.46Å; T367-I371 HydrophobicContact CG2-CD1 4.26Å
368S85.2Confident88.2Confident35 Ų3559.4 Ų59.425%0.24532%0.32CS..SBendtrans-68.2-41.8175.860.30000112.8R304 N316 E344R304-S368 VanDerWaalsContact NH2-CB 3.33Å; N316-S368 PolarHBondContact ND2-O 2.86Å; E344-S368 VanDerWaalsContact CD-OG 3.23Å; E344-S368 WeakPolarHBondContact OE1-CB 3.36Å; E344-S368 PolarHBondContact OE1-N 2.93Å; E344-S368 PolarHBondContact OE1-OG 2.68Å; E344-S368 PolarHBondContact OE2-N 2.99Å; E344-S368 VanDerWaalsContact OE2-N 3.13Å
369T86.9Confident88.6Confident23 Ų2355.5 Ų55.514%0.14130%0.298CS..SBendtrans-112.8137.4-172.4-51.90000107.2Y338 N342 T367 I371Y338-T369 HydrophobicContact CD1-CG2 3.73Å; Y338-T369 HydrophobicContact CE1-CG2 4.31Å; Y338-T369 WeakPolarHBondContact CE1-O 3.33Å; Y338-T369 HydrophobicContact CG-CG2 3.85Å; N342-T369 PolarHBondContact ND2-OG1 2.77Å; T367-T369 PolarHBondContact OG1-O 3.46Å; T369-I371 PolarHBondContact O-N 2.87Å
370P87.7Confident89.1Confident66 Ų6654.9 Ų54.943%0.42929%0.293SS..  trans-53.9138.6173.1-25.234.3000110.8N316 Y318N316-P370 WeakPolarHBondContact ND2-CD 3.25Å; Y318-P370 VanDerWaalsContact OH-CA 3.27Å; Y318-P370 WeakPolarHBondContact OH-CA 3.43Å
371I88.1Confident89.7Confident17 Ų1753.9 Ų53.99%0.08728%0.278CS..  trans-82.8127.2169.5-61177.3000107.7Y318 F320 Y338 T367 T369 T375 I403Y318-I371 HydrophobicContact CD1-CB 4.44Å; Y318-I371 HydrophobicContact CD1-CD1 4.4Å; Y318-I371 HydrophobicContact CD2-CB 4.49Å; Y318-I371 HydrophobicContact CD2-CD1 3.69Å; Y318-I371 HydrophobicContact CD2-CG1 3.99Å; Y318-I371 HydrophobicContact CE1-CB 3.98Å; Y318-I371 HydrophobicContact CE2-CB 4.03Å; Y318-I371 HydrophobicContact CE2-CD1 4Å; Y318-I371 HydrophobicContact CE2-CG1 3.75Å; Y318-I371 HydrophobicContact CG-CD1 3.92Å; Y318-I371 HydrophobicContact CG-CG1 4.49Å; Y318-I371 PolarHBondContact OH-N 2.91Å; F320-I371 HydrophobicContact CE1-CD1 4.48Å; F320-I371 HydrophobicContact CE2-CD1 4.34Å; F320-I371 HydrophobicContact CZ-CD1 3.6Å; Y338-I371 HydrophobicContact CE1-CG1 4.12Å; T367-I371 HydrophobicContact CG2-CD1 4.26Å; T369-I371 PolarHBondContact O-N 2.87Å; I371-T375 HydrophobicContact CG2-CG2 4.16Å; I371-I403 HydrophobicContact CG2-CD1 4.2Å
372D87Confident90Very high77 Ų7757.9 Ų57.941%0.41230%0.296SS..  trans-130.2-169.4179.258.531.1000111.2E374 T375D372-E374 PolarHBondContact O-N 2.92Å; D372-E374 WeakPolarHBondContact OD1-CA 3.48Å; D372-E374 PolarHBondContact OD1-N 3.44Å; D372-T375 PolarHBondContact N-OG1 2.86Å; D372-T375 VanDerWaalsContact N-OG1 3.1Å; D372-T375 PolarHBondContact O-N 3.03Å; D372-T375 PolarHBondContact OD1-N 3.1Å; D372-T375 PolarHBondContact OD1-OG1 2.76Å
373K85.1Confident90.1Very high215 Ų21558.9 Ų58.994%0.93530%0.299SS*.SBendtrans-71.3-17.9-178.6-66.5-177.2179179.10113.5
374E88.2Confident90.2Very high118 Ų11857.9 Ų57.955%0.55129%0.293SS*.SBendtrans-96.1-15.3-177.3-59.5-174.4-174.900111.6E339 D372 I376E339-E374 WeakPolarHBondContact CG-OE2 2.99Å; D372-E374 PolarHBondContact O-N 2.92Å; D372-E374 WeakPolarHBondContact OD1-CA 3.48Å; D372-E374 PolarHBondContact OD1-N 3.44Å; E374-I376 PolarHBondContact O-N 3.47Å
375T89.8Confident90Very high15 Ų1564.2 Ų64.29%0.09232%0.32CS..  trans-62116.6175.3-56.50000111A336 Y338 I371 D372 V377A336-T375 HydrophobicContact CB-CG2 4.4Å; Y338-T375 HydrophobicContact CD1-CG2 3.9Å; Y338-T375 HydrophobicContact CE1-CG2 4Å; I371-T375 HydrophobicContact CG2-CG2 4.16Å; D372-T375 PolarHBondContact N-OG1 2.86Å; D372-T375 VanDerWaalsContact N-OG1 3.1Å; D372-T375 PolarHBondContact O-N 3.03Å; D372-T375 PolarHBondContact OD1-N 3.1Å; D372-T375 PolarHBondContact OD1-OG1 2.76Å; T375-V377 HydrophobicContact CG2-CG2 4.05Å
376I90.8Very high89.9Confident102 Ų10264.7 Ų64.752%0.52332%0.324SS..EExtended strand (participates in β ladder)trans-85.2121.3176.2-59.1174.1000108.5A336 R337 E374A336-I376 WeakPolarHBondContact CA-O 2.94Å; R337-I376 HydrophobicContact CB-CB 4.47Å; R337-I376 PolarHBondContact N-O 3.21Å; R337-I376 PolarHBondContact O-N 2.79Å; E374-I376 PolarHBondContact O-N 3.47Å
377V88.8Confident89.7Confident47 Ų4774.4 Ų74.429%0.28536%0.359SS..EExtended strand (participates in β ladder)trans-115.6122.8-179.3-1770000109.9L334 F335 T375 F401L334-V377 HydrophobicContact CB-CG1 3.93Å; L334-V377 HydrophobicContact CD1-CG1 3.97Å; L334-V377 HydrophobicContact CD2-CG1 3.65Å; L334-V377 HydrophobicContact CG-CG1 4.05Å; F335-V377 WeakPolarHBondContact O-CA 3.49Å; T375-V377 HydrophobicContact CG2-CG2 4.05Å; V377-F401 HydrophobicContact CG1-CZ 4.42Å
378S90.8Very high89.5Confident53 Ų5381.3 Ų81.337%0.37139%0.389SS..EExtended strand (participates in β ladder)trans-114.5121.6175.4-59.30000110.8L334 F335L334-S378 CarbonylContact C-O 3.58Å; L334-S378 WeakPolarHBondContact CA-O 3.26Å; F335-S378 PolarHBondContact N-O 2.93Å; F335-S378 PolarHBondContact O-N 2.94Å
379L91.5Very high89.4Confident54 Ų5488 Ų8828%0.28341%0.409SS..EExtended strand (participates in β ladder)trans-84.8126.5177-174.771.1000110.6L332 L334 L348 W396 L398L332-L379 HydrophobicContact CD1-CD1 3.54Å; L332-L379 HydrophobicContact CD1-CD2 4.11Å; L332-L379 HydrophobicContact CD1-CG 3.76Å; L332-L379 HydrophobicContact CD2-CD1 4.08Å; L332-L379 HydrophobicContact CG-CD1 3.67Å; L332-L379 HydrophobicContact CG-CG 4.44Å; L334-L379 HydrophobicContact CD2-CB 4.03Å; L334-L379 HydrophobicContact CD2-CD1 3.38Å; L334-L379 HydrophobicContact CD2-CG 4.32Å; L334-L379 HydrophobicContact CG-CD1 4.38Å; L348-L379 HydrophobicContact CD1-CD1 3.84Å; L379-W396 HydrophobicContact CD2-CH2 4.04Å; L379-W396 HydrophobicContact CD2-CZ2 4.39Å; L379-L398 HydrophobicContact CD2-CD1 3.97Å; L379-L398 HydrophobicContact CD2-CD2 3.65Å; L379-L398 HydrophobicContact CD2-CG 4.3Å
380M93.1Very high89.4Confident90 Ų9093.7 Ų93.744%0.44343%0.432SS..EExtended strand (participates in β ladder)trans-120.8130.6-177.2-60.7-64.8-67.200110.1L332 W333L332-M380 WeakPolarHBondContact CA-O 3.34Å; L332-M380 WeakPolarHBondContact CD1-O 3.5Å; W333-M380 HydrophobicContact CD2-CB 3.85Å; W333-M380 HydrophobicContact CG-CB 4.1Å; W333-M380 HydrophobicContact CH2-CB 4.48Å; W333-M380 HydrophobicContact CZ2-CB 3.75Å; W333-M380 PolarHBondContact N-O 3.06Å; W333-M380 VanDerWaalsContact NE1-CB 3.3Å; W333-M380 PolarHBondContact O-N 3.47Å
381Y94.1Very high89.6Confident52 Ų5293.7 Ų93.720%0.20443%0.428CS..EExtended strand (participates in β ladder)trans-121.2134.8179.1172.7-116.2000111.3K329 N331 L332 K383 P393 W396K329-Y381 PolarHBondContact O-OH 3.45Å; N331-Y381 WeakPolarHBondContact O-CA 3.21Å; N331-Y381 WeakPolarHBondContact O-CD2 3.44Å; L332-Y381 HydrophobicContact CD1-CD2 4.41Å; Y381-K383 HydrophobicContact CE1-CB 3.83Å; Y381-K383 WeakPolarHBondContact OH-CA 3.07Å; Y381-K383 WeakPolarHBondContact OH-CB 3.42Å; Y381-P393 WeakPolarHBondContact CE1-O 3.28Å; Y381-W396 AromaticContact CD1-CD1 3.55Å; Y381-W396 AromaticContact CD1-NE1 3.1Å; Y381-W396 AromaticContact CD2-NE1 3.73Å; Y381-W396 AromaticContact CE1-CD1 3.6Å; Y381-W396 AromaticContact CE1-NE1 3.53Å; Y381-W396 HydrophobicContact CG-CZ2 4.46Å; Y381-W396 AromaticContact CG-NE1 3.2Å
382K94.3Very high89.7Confident125 Ų12593.1 Ų93.154%0.54343%0.426SS..EExtended strand (participates in β ladder)trans-125.9112.8168.7-179.4-175.2179.6-1720109G330 N331 W333G330-K382 CarbonylContact C-O 3.52Å; G330-K382 WeakPolarHBondContact CA-O 3.43Å; N331-K382 HydrophobicContact CB-CB 4.36Å; N331-K382 PolarHBondContact N-O 3.17Å; N331-K382 PolarHBondContact O-N 2.99Å; W333-K382 HydrophobicContact CH2-CB 3.7Å; W333-K382 HydrophobicContact CZ3-CB 3.69Å
383K93.6Very high90Very high43 Ų4390.4 Ų90.419%0.18741%0.413CS..EExtended strand (participates in β ladder)trans-59.5140.8179.665.4165169.1176.40112.6Y381 K385 G392 P393 D394Y381-K383 HydrophobicContact CE1-CB 3.83Å; Y381-K383 WeakPolarHBondContact OH-CA 3.07Å; Y381-K383 WeakPolarHBondContact OH-CB 3.42Å; K383-K385 HydrophobicContact CD-CG 4.38Å; K383-K385 HydrophobicContact CG-CG 4.19Å; K383-K385 PolarHBondContact O-N 2.98Å; K383-G392 VanDerWaalsContact CD-O 3.25Å; K383-G392 WeakPolarHBondContact CD-O 3.24Å; K383-P393 WeakPolarHBondContact CB-O 3.46Å; K383-D394 WeakPolarHBondContact CE-OD1 3.45Å; K383-D394 IonicContact NZ-OD1 2.58Å; K383-D394 PolarHBondContact NZ-OD1 3.49Å; K383-D394 IonicContact NZ-OD2 2.8Å; K383-D394 PolarHBondContact NZ-OD2 2.93Å
384Y92.9Very high90.3Very high40 Ų4086 Ų8616%0.15740%0.399CS..  trans-63.2128.2166.5-178.3-101.2000109.8K329 E351 W389 N391 G392K329-Y384 HydrophobicContact CD-CD1 3.78Å; K329-Y384 HydrophobicContact CD-CE1 4.49Å; K329-Y384 HydrophobicContact CD-CG 4.02Å; K329-Y384 HydrophobicContact CG-CD1 4.33Å; K329-Y384 HydrophobicContact CG-CG 4.07Å; K329-Y384 PolarHBondContact O-N 2.88Å; E351-Y384 HydrophobicContact CG-CD2 3.69Å; E351-Y384 HydrophobicContact CG-CE2 4.17Å; E351-Y384 VanDerWaalsContact O-CD2 3.26Å; E351-Y384 WeakPolarHBondContact O-CD2 3.37Å; Y384-W389 HydrophobicContact CE1-CB 3.95Å; Y384-N391 WeakPolarHBondContact O-CA 3.38Å; Y384-N391 WeakPolarHBondContact O-CB 3.25Å; Y384-N391 PolarHBondContact O-OD1 3.1Å; Y384-G392 PolarHBondContact O-N 2.89Å
385K89.9Confident90.4Very high150 Ų15088 Ų8865%0.65241%0.409SS*.  trans-122.3122.9176.2-71.4-176.9176.7178.90110K383 N391K383-K385 HydrophobicContact CD-CG 4.38Å; K383-K385 HydrophobicContact CG-CG 4.19Å; K383-K385 PolarHBondContact O-N 2.98Å; K385-N391 WeakPolarHBondContact CA-OD1 2.99Å
386S89.2Confident90.6Very high25 Ų2589.2 Ų89.218%0.17541%0.412CS..  trans-141152.4172.4-175.30000109.1F388 W389 N391S386-F388 PolarHBondContact OG-N 2.8Å; S386-W389 PolarHBondContact OG-N 2.58Å; S386-N391 PolarHBondContact N-OD1 2.88Å; S386-N391 PolarHBondContact O-ND2 2.97Å; S386-N391 VanDerWaalsContact O-ND2 3.17Å; S386-N391 PolarHBondContact O-OD1 3.35Å
387W87.1Confident90.6Very high216 Ų21691.3 Ų91.382%0.81842%0.419SS*.SBendtrans-85-18174.164.1-76.3000112.7
388F84.9Confident90.5Very high144 Ų14492.5 Ų92.563%0.63242%0.424SS*.SBendtrans-110-37.9179.7-70.9-59.7000113.5S386S386-F388 PolarHBondContact OG-N 2.8Å
389W83.6Confident90.4Very high176 Ų17696 Ų9667%0.66743%0.432SS*.SBendtrans-95.8154.8-174.4-61107.7000111.4Y384 S386 N391Y384-W389 HydrophobicContact CE1-CB 3.95Å; S386-W389 PolarHBondContact OG-N 2.58Å; W389-N391 PolarHBondContact O-N 3.2Å; W389-N391 PolarHBondContact O-OD1 2.84Å
390K86.6Confident90.2Very high143 Ų14395.9 Ų95.962%0.62244%0.439SS*.PPolyproline II helixtrans-58.9124.6177.1-166.4-175.5178.2-170.10110.7W327W327-K390 HydrophobicContact CH2-CB 4.2Å; W327-K390 HydrophobicContact CH2-CD 3.48Å; W327-K390 VanDerWaalsContact CH2-CD 3.48Å; W327-K390 HydrophobicContact CH2-CG 3.61Å; W327-K390 HydrophobicContact CZ2-CD 3.99Å; W327-K390 HydrophobicContact CZ2-CG 4.42Å; W327-K390 HydrophobicContact CZ3-CD 3.84Å; W327-K390 VanDerWaalsContact CZ3-CE 3.44Å; W327-K390 HydrophobicContact CZ3-CG 4.07Å
391N91.9Very high89.9Confident66 Ų6694.7 Ų94.735%0.35343%0.431SS..PPolyproline II helixtrans-79.9151.8-180-67-28.6000111.9W327 Y384 K385 S386 W389W327-N391 VanDerWaalsContact CH2-O 3.23Å; W327-N391 WeakPolarHBondContact CH2-O 3.5Å; W327-N391 WeakPolarHBondContact CZ3-O 3.44Å; Y384-N391 WeakPolarHBondContact O-CA 3.38Å; Y384-N391 WeakPolarHBondContact O-CB 3.25Å; Y384-N391 PolarHBondContact O-OD1 3.1Å; K385-N391 WeakPolarHBondContact CA-OD1 2.99Å; S386-N391 PolarHBondContact N-OD1 2.88Å; S386-N391 PolarHBondContact O-ND2 2.97Å; S386-N391 VanDerWaalsContact O-ND2 3.17Å; S386-N391 PolarHBondContact O-OD1 3.35Å; W389-N391 PolarHBondContact O-N 3.2Å; W389-N391 PolarHBondContact O-OD1 2.84Å
392G89.9Confident89.6Confident4 Ų494.9 Ų94.94%0.04144%0.44CS..PPolyproline II helixtrans-65.7155.9167.900000111.5K329 K383 Y384K329-G392 WeakPolarHBondContact O-CA 3.41Å; K383-G392 VanDerWaalsContact CD-O 3.25Å; K383-G392 WeakPolarHBondContact CD-O 3.24Å; Y384-G392 PolarHBondContact O-N 2.89Å
393P93.5Very high89.3Confident21 Ų2191.7 Ų91.714%0.13643%0.428CS..PPolyproline II helixtrans-63.8155.1176.929.6-35.7000111.3I328 Y381 K383 W396I328-P393 HydrophobicContact CB-CG 4.48Å; I328-P393 HydrophobicContact CG2-CG 3.88Å; Y381-P393 WeakPolarHBondContact CE1-O 3.28Å; K383-P393 WeakPolarHBondContact CB-O 3.46Å; P393-W396 HydrophobicContact CG-CB 4.43Å
394D92.2Very high88.8Confident122 Ų12292.9 Ų92.965%0.65244%0.436SS*.SBendtrans-68.3-38.4171.9-77.4-75.3000111.7K383K383-D394 WeakPolarHBondContact CE-OD1 3.45Å; K383-D394 IonicContact NZ-OD1 2.58Å; K383-D394 PolarHBondContact NZ-OD1 3.49Å; K383-D394 IonicContact NZ-OD2 2.8Å; K383-D394 PolarHBondContact NZ-OD2 2.93Å
395E90.9Very high88.1Confident160 Ų16094.3 Ų94.375%0.74845%0.447SS*.  trans-138.4146.4-176.4-65.1176.6-178.200110.5
396W93.2Very high87.2Confident41 Ų4189 Ų8916%0.15543%0.425CS..  trans-157.8162.4176.665.6-80.3000108.7P324 D325 R326 I328 L332 L379 Y381 P393 L398P324-W396 HydrophobicContact CB-CE3 3.59Å; P324-W396 HydrophobicContact CB-CZ3 3.63Å; D325-W396 WeakPolarHBondContact OD1-CB 3.45Å; R326-W396 HydrophobicContact CG-CB 3.98Å; I328-W396 HydrophobicContact CD1-CD2 4.39Å; I328-W396 HydrophobicContact CD1-CH2 4.1Å; I328-W396 HydrophobicContact CD1-CZ2 3.92Å; I328-W396 HydrophobicContact CD1-CZ3 4.41Å; I328-W396 HydrophobicContact CG2-CB 3.81Å; I328-W396 HydrophobicContact CG2-CD2 3.7Å; I328-W396 HydrophobicContact CG2-CE3 4.19Å; I328-W396 HydrophobicContact CG2-CG 3.49Å; I328-W396 VanDerWaalsContact CG2-CG 3.49Å; L332-W396 HydrophobicContact CD1-CH2 4.26Å; L332-W396 HydrophobicContact CD1-CZ2 3.71Å; L332-W396 HydrophobicContact CD2-CH2 4.45Å; L379-W396 HydrophobicContact CD2-CH2 4.04Å; L379-W396 HydrophobicContact CD2-CZ2 4.39Å; Y381-W396 AromaticContact CD1-CD1 3.55Å; Y381-W396 AromaticContact CD1-NE1 3.1Å; Y381-W396 AromaticContact CD2-NE1 3.73Å; Y381-W396 AromaticContact CE1-CD1 3.6Å; Y381-W396 AromaticContact CE1-NE1 3.53Å; Y381-W396 HydrophobicContact CG-CZ2 4.46Å; Y381-W396 AromaticContact CG-NE1 3.2Å; P393-W396 HydrophobicContact CG-CB 4.43Å; W396-L398 HydrophobicContact CH2-CD1 3.99Å; W396-L398 HydrophobicContact CZ3-CB 4.21Å; W396-L398 HydrophobicContact CZ3-CD1 3.91Å
397E89.8Confident85.9Confident146 Ų14696.1 Ų96.168%0.68245%0.453SS*.  trans-113.1138.9-178.7-66.7-177.4177.100111.2D325 K399D325-E397 HydrophobicContact CB-CB 4.04Å; D325-E397 WeakPolarHBondContact CB-O 3.35Å; D325-E397 VanDerWaalsContact CG-N 3.31Å; D325-E397 PolarHBondContact N-O 3.3Å; D325-E397 PolarHBondContact OD1-N 2.88Å; D325-E397 VanDerWaalsContact OD1-O 3.06Å; E397-K399 PolarHBondContact O-N 2.99Å; E397-K399 VanDerWaalsContact O-N 3.16Å
398L88Confident84.7Confident72 Ų7287.1 Ų87.138%0.37742%0.423SS..EExtended strand (participates in β ladder)trans-78.799.7175.5-174.163.6000109.6I322 L379 W396 A400 F401I322-L398 HydrophobicContact CG2-CD1 3.94Å; L379-L398 HydrophobicContact CD2-CD1 3.97Å; L379-L398 HydrophobicContact CD2-CD2 3.65Å; L379-L398 HydrophobicContact CD2-CG 4.3Å; W396-L398 HydrophobicContact CH2-CD1 3.99Å; W396-L398 HydrophobicContact CZ3-CB 4.21Å; W396-L398 HydrophobicContact CZ3-CD1 3.91Å; L398-A400 WeakPolarHBondContact CD1-O 3.25Å; L398-F401 HydrophobicContact CD1-CB 4.19Å; L398-F401 HydrophobicContact CD2-CB 3.52Å; L398-F401 HydrophobicContact CD2-CG 4.18Å; L398-F401 HydrophobicContact CG-CB 3.99Å
399K89.2Confident83Confident127 Ų12784.3 Ų84.355%0.55243%0.426SS*.EExtended strand (participates in β ladder)trans-63.9-40.7177.1-90.9-175.4-179153.50112.6K323 D325 E397K323-K399 HydrophobicContact CG-CB 4.42Å; K323-K399 WeakPolarHBondContact O-CB 3.3Å; K323-K399 PolarHBondContact O-N 2.53Å; D325-K399 VanDerWaalsContact CA-CE 3.49Å; D325-K399 HydrophobicContact CB-CD 4.18Å; D325-K399 HydrophobicContact CB-CG 3.86Å; D325-K399 PolarHBondContact O-NZ 3.33Å; E397-K399 PolarHBondContact O-N 2.99Å; E397-K399 VanDerWaalsContact O-N 3.16Å
400A86.4Confident80.8Confident50 Ų5087.6 Ų87.641%0.41345%0.449SS..EExtended strand (participates in β ladder)trans-152.8142.7175.900000111.2K323 L398K323-A400 HydrophobicContact CB-CB 4.08Å; K323-A400 PolarHBondContact N-O 3.2Å; K323-A400 PolarHBondContact O-N 3.5Å; L398-A400 WeakPolarHBondContact CD1-O 3.25Å
401F87.6Confident80.5Confident66 Ų6684.8 Ų84.829%0.28944%0.44SS..EExtended strand (participates in β ladder)trans-141.4122.4170.3178.9-100.1000109F320 V321 I322 L334 L348 V377 L398 I403F320-F401 HydrophobicContact CD1-CE1 4.4Å; F320-F401 AromaticContact CD1-CE2 3.72Å; F320-F401 HydrophobicContact CD1-CE2 3.72Å; F320-F401 AromaticContact CD1-CZ 3.42Å; F320-F401 HydrophobicContact CD1-CZ 3.42Å; F320-F401 VanDerWaalsContact CD1-CZ 3.42Å; F320-F401 HydrophobicContact CE1-CE2 4.44Å; F320-F401 AromaticContact CE1-CZ 3.72Å; F320-F401 HydrophobicContact CE1-CZ 3.72Å; V321-F401 WeakPolarHBondContact O-CA 3.44Å; I322-F401 HydrophobicContact CG1-CD2 4.24Å; I322-F401 HydrophobicContact CG1-CE2 4.45Å; L334-F401 HydrophobicContact CD1-CE2 4.07Å; L334-F401 HydrophobicContact CD1-CZ 3.71Å; L334-F401 HydrophobicContact CD2-CE2 3.85Å; L334-F401 HydrophobicContact CD2-CZ 3.73Å; L334-F401 HydrophobicContact CG-CZ 4.38Å; L348-F401 HydrophobicContact CD1-CE2 4.42Å; V377-F401 HydrophobicContact CG1-CZ 4.42Å; L398-F401 HydrophobicContact CD1-CB 4.19Å; L398-F401 HydrophobicContact CD2-CB 3.52Å; L398-F401 HydrophobicContact CD2-CG 4.18Å; L398-F401 HydrophobicContact CG-CB 3.99Å; F401-I403 HydrophobicContact CE1-CD1 4.29Å; F401-I403 HydrophobicContact CE1-CG1 4.06Å; F401-I403 HydrophobicContact CZ-CG1 4.36Å
402S87.6Confident79.9Confident55 Ų5585.8 Ų85.839%0.38545%0.445SS..EExtended strand (participates in β ladder)trans-136.2152.4175.162.50000111V321V321-S402 WeakPolarHBondContact CB-OG 3.28Å; V321-S402 PolarHBondContact N-O 2.97Å; V321-S402 PolarHBondContact O-N 3.13Å; V321-S402 VanDerWaalsContact O-N 3.1Å
403I86.6Confident79.4Confident58 Ų5890.3 Ų90.330%0.29747%0.467SS..EExtended strand (participates in β ladder)trans-110.7119.3176-50.7-178.8000106.5Y318 F320 I371 F401Y318-I403 HydrophobicContact CD1-CG2 3.89Å; Y318-I403 HydrophobicContact CG-CG2 4.32Å; F320-I403 HydrophobicContact CD1-CD1 4.36Å; F320-I403 HydrophobicContact CD1-CG1 3.84Å; F320-I403 HydrophobicContact CE1-CB 4.47Å; F320-I403 HydrophobicContact CE1-CD1 3.62Å; F320-I403 HydrophobicContact CE1-CG1 3.6Å; F320-I403 HydrophobicContact CE1-CG2 4.22Å; F320-I403 HydrophobicContact CZ-CD1 4.38Å; I371-I403 HydrophobicContact CG2-CD1 4.2Å; F401-I403 HydrophobicContact CE1-CD1 4.29Å; F401-I403 HydrophobicContact CE1-CG1 4.06Å; F401-I403 HydrophobicContact CZ-CG1 4.36Å
404L83.6Confident78.6Confident68 Ų6894.4 Ų94.436%0.35649%0.486SS..EExtended strand (participates in β ladder)trans-81.9110.5166.9-54.6177.7000106.7F274 G319 V321F274-L404 HydrophobicContact CD1-CB 3.99Å; F274-L404 HydrophobicContact CD1-CD1 4.44Å; F274-L404 HydrophobicContact CE1-CB 4.1Å; F274-L404 WeakPolarHBondContact CE1-O 3.22Å; G319-L404 PolarHBondContact N-O 2.83Å; G319-L404 WeakPolarHBondContact O-CB 2.94Å; G319-L404 WeakPolarHBondContact O-CG 3.26Å; G319-L404 PolarHBondContact O-N 3.3Å; V321-L404 HydrophobicContact CG2-CD1 3.93Å; V321-L404 HydrophobicContact CG2-CD2 4.36Å; V321-L404 HydrophobicContact CG2-CG 3.92Å
405D78.2Confident77.7Confident71 Ų7192.7 Ų92.738%0.3848%0.476SS..EExtended strand (participates in β ladder)trans-106.4133.7174.9-17914.1000109.3Y318 K407Y318-D405 HydrophobicContact CD1-CB 4.19Å; Y318-D405 HydrophobicContact CE1-CB 4.11Å; Y318-D405 WeakPolarHBondContact CE1-OD1 3.42Å; D405-K407 PolarHBondContact O-N 2.96Å; D405-K407 WeakPolarHBondContact OD2-CE 3.33Å
406L71.6Confident76.8Confident39 Ų3988.2 Ų88.220%0.20446%0.458CS..  trans-99.975.1-179.5-67169.4000109.9F260 F274 Y275 C408F260-L406 HydrophobicContact CD1-CD1 4.37Å; F260-L406 HydrophobicContact CE1-CD1 3.18Å; F260-L406 HydrophobicContact CE1-CG 4.47Å; F260-L406 HydrophobicContact CE2-CD1 4.2Å; F260-L406 HydrophobicContact CZ-CD1 3.07Å; F274-L406 HydrophobicContact CD1-CD1 4.12Å; F274-L406 HydrophobicContact CD1-CD2 4.43Å; F274-L406 HydrophobicContact CD1-CG 4.18Å; F274-L406 HydrophobicContact CD2-CD1 3.94Å; F274-L406 HydrophobicContact CE1-CD1 3.62Å; F274-L406 HydrophobicContact CE1-CD2 4.36Å; F274-L406 HydrophobicContact CE1-CG 3.65Å; F274-L406 HydrophobicContact CE2-CD1 3.44Å; F274-L406 VanDerWaalsContact CE2-CD1 3.44Å; F274-L406 HydrophobicContact CE2-CG 4.39Å; F274-L406 HydrophobicContact CG-CD1 4.27Å; F274-L406 HydrophobicContact CZ-CD1 3.26Å; F274-L406 HydrophobicContact CZ-CG 3.78Å; Y275-L406 VanDerWaalsContact C-CD2 3.5Å; Y275-L406 VanDerWaalsContact CA-CD2 3.47Å; L406-C408 VanDerWaalsContact C-N 3.25Å; L406-C408 PolarHBondContact O-N 3.38Å
407K61.8Low75.7Confident174 Ų17491.6 Ų91.676%0.75748%0.48SS*.  trans-76.683.7165.6-63.4-167-179-170.90109.1D405 A409D405-K407 PolarHBondContact O-N 2.96Å; D405-K407 WeakPolarHBondContact OD2-CE 3.33Å; K407-A409 PolarHBondContact O-N 3.16Å
408C61.1Low74.6Confident27 Ų2787.4 Ų87.418%0.18246%0.464CS..  trans-81.98.3177-81.40000114.4C276 M282 L406C276-C408 VanDerWaalsContact CA-SG 3.52Å; C276-C408 HydrophobicContact CB-CB 4.33Å; C276-C408 WeakPolarHBondContact CB-SG 3.35Å; C276-C408 WeakPolarHBondContact SG-CA 2.84Å; C276-C408 WeakPolarHBondContact SG-CB 3.44Å; C276-C408 CovalentContact SG-SG 2.04Å; C276-C408 PolarHBondContact SG-SG 2.84Å; M282-C408 HydrophobicContact CE-CB 4.35Å; M282-C408 WeakPolarHBondContact CE-SG 3.48Å; L406-C408 VanDerWaalsContact C-N 3.25Å; L406-C408 PolarHBondContact O-N 3.38Å
409A50.4Low73.5Confident84 Ų8488.7 Ų88.769%0.69447%0.471SS*.  trans-65.8141.9175.100000110.5K407K407-A409 PolarHBondContact O-N 3.16Å
410Q37.5Very low72Confident245 Ų24585.2 Ų85.2100%1.14546%0.464SS*.  trans-58.30171.4-80.3-176.2-17.900112.3

Retrieved 410 of 410 residues in 1259.3 ms (Link to these results)

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