A0A5K4F3N4_SCHMA Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3N4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1M37Very low36.3Very low246 Ų246142.9 Ų142.9100%1.21279%0.789SS**  0120.80-78.5170.916100107.8K3M1-K3 PolarHBondContact O-N 3.34Å
2S34.6Very low37.8Very low107 Ų107145.8 Ų145.875%0.74878%0.782SS**  trans-64.2118.8-157.443.50000114.1F4S2-F4 PolarHBondContact O-N 3.44Å
3K34.2Very low40.3Very low203 Ų203138.5 Ų138.588%0.88374%0.742SS**  trans-65.6115164.4-77.5177.6174.11770108.9M1 C5M1-K3 PolarHBondContact O-N 3.34Å; K3-C5 PolarHBondContact O-N 3.24Å
4F36.1Very low43.5Very low196 Ų196134.6 Ų134.686%0.8672%0.721SS**  trans-70108.3159.2-82.8-91.5000108S2S2-F4 PolarHBondContact O-N 3.44Å
5C28.9Very low46.6Very low103 Ų103128.6 Ų128.670%0.69669%0.688SS**  trans-118.197.8164.9-165.80000106.8K3K3-C5 PolarHBondContact O-N 3.24Å
6C33Very low49.4Very low123 Ų123120.6 Ų120.683%0.83165%0.645SS**  trans-134.169.7162.5-750000108.3A8C6-A8 PolarHBondContact O-N 3.48Å
7C30.7Very low52Low106 Ų106114.8 Ų114.872%0.71661%0.613SS**  trans-5976.7151.7-70.90000109.2K9C7-K9 PolarHBondContact O-N 2.89Å; C7-K9 VanDerWaalsContact O-N 3.14Å
8A33.2Very low54.4Low89 Ų89108.4 Ų108.474%0.73658%0.579SS**  trans-80.976.2157.500000106.8C6 H10C6-A8 PolarHBondContact O-N 3.48Å; A8-H10 PolarHBondContact O-N 3.14Å
9K35.6Very low56.6Low155 Ų155103.5 Ų103.567%0.67455%0.553SS**  trans-60.6105.1166.5-72.9-177178.6-178.20106C7C7-K9 PolarHBondContact O-N 2.89Å; C7-K9 VanDerWaalsContact O-N 3.14Å
10H45.7Very low58.5Low138 Ų13898.6 Ų98.664%0.63953%0.527SS*.  trans-46.2133.6165.4-103.4-85.8000107.8A8 Y12A8-H10 PolarHBondContact O-N 3.14Å; H10-Y12 PolarHBondContact O-N 3.36Å
11P50.3Low60.2Low106 Ų10694 Ų9469%0.68850%0.503SS*.  trans-53.3120.3178.122.7-31.5000107.1I13P11-I13 VanDerWaalsContact O-CG1 3.32Å; P11-I13 WeakPolarHBondContact O-CG1 3.43Å; P11-I13 PolarHBondContact O-N 3.08Å
12Y54.7Low62.7Low178 Ų17886.3 Ų86.370%0.69847%0.467SS*.  trans-43.498.8-173.6-79-86.3000110.4H10 N14H10-Y12 PolarHBondContact O-N 3.36Å; Y12-N14 VanDerWaalsContact C-N 3.25Å; Y12-N14 WeakPolarHBondContact CB-OD1 3.42Å; Y12-N14 PolarHBondContact O-N 2.78Å
13I70.3Confident65.3Low51 Ų5186.4 Ų86.426%0.26246%0.458SS..  trans-76.991.2178-55.3177.4000105.3P11 N15 F30 Y112 P113P11-I13 VanDerWaalsContact O-CG1 3.32Å; P11-I13 WeakPolarHBondContact O-CG1 3.43Å; P11-I13 PolarHBondContact O-N 3.08Å; I13-N15 VanDerWaalsContact C-N 3.32Å; I13-N15 WeakPolarHBondContact CG2-O 3.38Å; I13-F30 WeakPolarHBondContact O-CE1 3.47Å; I13-F30 WeakPolarHBondContact O-CZ 3.34Å; I13-Y112 HydrophobicContact CG2-CD1 4.42Å; I13-P113 HydrophobicContact CG2-CG 4.06Å
14N84.3Confident68.2Low84 Ų8482.7 Ų82.745%0.44944%0.442SS..  trans-96.910.1179.3-64.1-4.4000111.6Y12 K29 F30Y12-N14 VanDerWaalsContact C-N 3.25Å; Y12-N14 WeakPolarHBondContact CB-OD1 3.42Å; Y12-N14 PolarHBondContact O-N 2.78Å; N14-K29 CarbonylContact O-C 3.56Å; N14-K29 WeakPolarHBondContact O-CA 3.45Å; N14-F30 PolarHBondContact O-N 3.05Å
15N90.2Very high71Confident44 Ų4477.7 Ų77.724%0.23542%0.422CS..EExtended strand (participates in β ladder)trans-122.2133.9-180-67.9-23.4000109.8I13 Y28 K29 Y112 P113I13-N15 VanDerWaalsContact C-N 3.32Å; I13-N15 WeakPolarHBondContact CG2-O 3.38Å; N15-Y28 CarbonylContact C-O 3.52Å; N15-Y28 VanDerWaalsContact CA-O 3.28Å; N15-Y28 WeakPolarHBondContact CA-O 3.3Å; N15-K29 WeakPolarHBondContact OD1-CG 3.33Å; N15-Y112 HydrophobicContact CB-CD1 3.8Å; N15-Y112 HydrophobicContact CB-CE1 3.94Å; N15-P113 WeakPolarHBondContact O-CD 3.41Å
16V91.9Very high74.1Confident0 Ų074.2 Ų74.20%040%0.397CS..EExtended strand (participates in β ladder)trans-107.9137.1167.763.40000109.2V18 Y27 Y28 F30 I39 M75 P113 V115V16-V18 HydrophobicContact CG1-CG2 4.46Å; V16-Y27 WeakPolarHBondContact O-CA 3.47Å; V16-Y28 PolarHBondContact N-O 3.25Å; V16-Y28 PolarHBondContact O-N 2.81Å; V16-F30 HydrophobicContact CB-CD1 4.14Å; V16-F30 HydrophobicContact CB-CE1 4.22Å; V16-F30 HydrophobicContact CG1-CD1 4.28Å; V16-I39 HydrophobicContact CG1-CD1 3.97Å; V16-I39 HydrophobicContact CG1-CG2 4.34Å; V16-M75 HydrophobicContact CB-CE 3.98Å; V16-M75 HydrophobicContact CG2-CE 3.46Å; V16-M75 VanDerWaalsContact CG2-CE 3.46Å; V16-P113 HydrophobicContact CG2-CG 4.47Å; V16-P113 WeakPolarHBondContact CG2-O 3.28Å; V16-V115 HydrophobicContact CG2-CG1 4.08Å; V16-V115 HydrophobicContact CG2-CG2 3.8Å
17K93.7Very high77Confident22 Ų2273.4 Ų73.410%0.09638%0.378CS..EExtended strand (participates in β ladder)trans-88.7120.1171.1-175.3172.574.9156.60109V19 E25 Y27 P113 T114 V115K17-V19 HydrophobicContact CG-CG2 4.49Å; K17-E25 HydrophobicContact CD-CB 4.4Å; K17-E25 HydrophobicContact CD-CG 4.42Å; K17-E25 HydrophobicContact CG-CB 4.43Å; K17-E25 IonicContact NZ-OE1 2.69Å; K17-E25 PolarHBondContact NZ-OE1 3.21Å; K17-E25 IonicContact NZ-OE2 3.62Å; K17-Y27 HydrophobicContact CB-CD1 4.11Å; K17-Y27 HydrophobicContact CB-CE1 3.83Å; K17-Y27 HydrophobicContact CD-CE1 3.85Å; K17-Y27 WeakPolarHBondContact CD-OH 3.47Å; K17-Y27 HydrophobicContact CG-CD1 4.35Å; K17-Y27 HydrophobicContact CG-CE1 3.81Å; K17-P113 PolarHBondContact N-O 2.86Å; K17-T114 VanDerWaalsContact CE-CG2 3.49Å; K17-T114 WeakPolarHBondContact CE-OG1 3.39Å; K17-T114 CarbonylContact O-C 3.56Å; K17-T114 WeakPolarHBondContact O-CA 3.41Å; K17-V115 PolarHBondContact O-N 2.95Å
18V95.6Very high80.1Confident0 Ų069.6 Ų69.60%035%0.348CS..EExtended strand (participates in β ladder)trans-103.6120.5172.3-1760000108.7V16 L20 V26 Y28 I39 V43 L57 V115 F117V16-V18 HydrophobicContact CG1-CG2 4.46Å; V18-L20 HydrophobicContact CG1-CD2 4.05Å; V18-V26 PolarHBondContact N-O 2.88Å; V18-V26 PolarHBondContact O-N 3.28Å; V18-Y28 HydrophobicContact CB-CD2 4.14Å; V18-Y28 HydrophobicContact CB-CE2 4.08Å; V18-Y28 HydrophobicContact CG2-CD2 3.52Å; V18-Y28 HydrophobicContact CG2-CE2 3.86Å; V18-I39 HydrophobicContact CG2-CG2 3.95Å; V18-V43 HydrophobicContact CB-CG2 4.39Å; V18-V43 HydrophobicContact CG1-CG2 3.91Å; V18-V43 HydrophobicContact CG2-CG2 4.26Å; V18-L57 HydrophobicContact CG1-CD2 4.08Å; V18-V115 CarbonylContact C-O 3.51Å; V18-V115 WeakPolarHBondContact CA-O 3.28Å; V18-V115 HydrophobicContact CB-CG2 4.3Å; V18-V115 HydrophobicContact CG1-CG2 4.44Å; V18-V115 HydrophobicContact CG2-CG2 3.69Å; V18-F117 HydrophobicContact CG1-CB 4.35Å
19V95.2Very high82.9Confident15 Ų1573.9 Ų73.99%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-97121.1174.6-177.90000109.2K17 E25 T114 V115 Y116 F117K17-V19 HydrophobicContact CG-CG2 4.49Å; V19-E25 HydrophobicContact CG2-CG 4.41Å; V19-T114 HydrophobicContact CG2-CG2 3.72Å; V19-V115 PolarHBondContact N-O 3.1Å; V19-Y116 HydrophobicContact CB-CD1 3.62Å; V19-Y116 HydrophobicContact CB-CE1 3.82Å; V19-Y116 HydrophobicContact CB-CG 4.34Å; V19-Y116 HydrophobicContact CG1-CD1 3.96Å; V19-Y116 HydrophobicContact CG1-CE1 4.02Å; V19-Y116 HydrophobicContact CG2-CD1 4.24Å; V19-Y116 HydrophobicContact CG2-CE1 3.98Å; V19-Y116 WeakPolarHBondContact O-CA 3.48Å; V19-F117 PolarHBondContact O-N 3.11Å
20L95.3Very high85.6Confident6 Ų667 Ų673%0.03132%0.32CS..PPolyproline II helixtrans-85.1168.8-179-57.4-174.6000112.6V18 N22 N23 K24 V26 V43 M47 F117 K143V18-L20 HydrophobicContact CG1-CD2 4.05Å; L20-N22 VanDerWaalsContact CB-OD1 3.31Å; L20-N22 WeakPolarHBondContact CB-OD1 3.31Å; L20-N22 PolarHBondContact O-N 2.87Å; L20-N23 PolarHBondContact O-N 3.47Å; L20-K24 HydrophobicContact CB-CB 4.43Å; L20-K24 WeakPolarHBondContact CB-O 3.46Å; L20-K24 HydrophobicContact CD1-CB 4.23Å; L20-K24 HydrophobicContact CD1-CD 4.32Å; L20-K24 PolarHBondContact N-O 3.47Å; L20-V26 HydrophobicContact CD1-CG2 4.02Å; L20-V26 HydrophobicContact CG-CG2 4.35Å; L20-V43 HydrophobicContact CD2-CG1 3.6Å; L20-M47 HydrophobicContact CD1-CG 4.37Å; L20-M47 HydrophobicContact CD1-SD 3.96Å; L20-M47 HydrophobicContact CD2-SD 3.95Å; L20-M47 HydrophobicContact CG-SD 4.48Å; L20-F117 HydrophobicContact CD2-CB 3.89Å; L20-F117 HydrophobicContact CD2-CG 4.35Å; L20-K143 PolarHBondContact O-NZ 2.88Å
21L93.3Very high87.7Confident3 Ų364.4 Ų64.42%0.01631%0.314CS..THydrogen-bonded Turntrans-67.9-18.4-179.8-72.5169.1000114.1N23 F55 F117 I136 L139 Q140 K143L21-N23 VanDerWaalsContact C-N 3.34Å; L21-F55 HydrophobicContact CD1-CE1 4.44Å; L21-F117 HydrophobicContact CD1-CD1 4.04Å; L21-F117 HydrophobicContact CD1-CE1 4.22Å; L21-F117 HydrophobicContact CG-CD1 4.23Å; L21-F117 WeakPolarHBondContact CG-O 3.45Å; L21-I136 HydrophobicContact CB-CG2 4.34Å; L21-I136 HydrophobicContact CD1-CG2 3.46Å; L21-I136 VanDerWaalsContact CD1-CG2 3.46Å; L21-I136 HydrophobicContact CG-CG2 4.45Å; L21-L139 HydrophobicContact CB-CB 4.12Å; L21-Q140 HydrophobicContact CD1-CB 3.94Å; L21-Q140 HydrophobicContact CD2-CB 3.92Å; L21-Q140 HydrophobicContact CD2-CG 4.4Å; L21-K143 VanDerWaalsContact C-NZ 3.31Å; L21-K143 HydrophobicContact CD2-CD 4.28Å; L21-K143 WeakPolarHBondContact O-CE 3.48Å; L21-K143 PolarHBondContact O-NZ 3.42Å
22N89.6Confident89.5Confident84 Ų8464.6 Ų64.645%0.44931%0.31SS..THydrogen-bonded Turntrans-90.612.4169.764.30.8000113.9L20 K24 L139L20-N22 VanDerWaalsContact CB-OD1 3.31Å; L20-N22 WeakPolarHBondContact CB-OD1 3.31Å; L20-N22 PolarHBondContact O-N 2.87Å; N22-K24 PolarHBondContact O-N 3.24Å; N22-K24 WeakPolarHBondContact OD1-CB 3.36Å; N22-K24 PolarHBondContact OD1-N 3.15Å; N22-L139 HydrophobicContact CB-CD1 4.14Å
23N90.4Very high91.3Very high108 Ų10862.2 Ų62.258%0.57831%0.309SS*.SBendtrans66.87-175-56.6-38.7000115.2L20 L21 E25 K143L20-N23 PolarHBondContact O-N 3.47Å; L21-N23 VanDerWaalsContact C-N 3.34Å; N23-E25 PolarHBondContact O-N 3.43Å; N23-K143 WeakPolarHBondContact OD1-CE 3.04Å; N23-K143 PolarHBondContact OD1-NZ 3.07Å
24K93.6Very high92.4Very high126 Ų12660.8 Ų60.855%0.54830%0.303SS..  trans-67.3131.1170.5-175179.8178.9-176.20109.5L20 N22 V26L20-K24 HydrophobicContact CB-CB 4.43Å; L20-K24 WeakPolarHBondContact CB-O 3.46Å; L20-K24 HydrophobicContact CD1-CB 4.23Å; L20-K24 HydrophobicContact CD1-CD 4.32Å; L20-K24 PolarHBondContact N-O 3.47Å; N22-K24 PolarHBondContact O-N 3.24Å; N22-K24 WeakPolarHBondContact OD1-CB 3.36Å; N22-K24 PolarHBondContact OD1-N 3.15Å; K24-V26 HydrophobicContact CD-CG2 4.29Å; K24-V26 HydrophobicContact CG-CG2 4.18Å
25E94.7Very high93Very high91 Ų9158.9 Ų58.943%0.42529%0.292SS..EExtended strand (participates in β ladder)trans-94.8131.6172.1-53.9-167.5142.300109.6K17 V19 N23 Y27K17-E25 HydrophobicContact CD-CB 4.4Å; K17-E25 HydrophobicContact CD-CG 4.42Å; K17-E25 HydrophobicContact CG-CB 4.43Å; K17-E25 IonicContact NZ-OE1 2.69Å; K17-E25 PolarHBondContact NZ-OE1 3.21Å; K17-E25 IonicContact NZ-OE2 3.62Å; V19-E25 HydrophobicContact CG2-CG 4.41Å; N23-E25 PolarHBondContact O-N 3.43Å; E25-Y27 HydrophobicContact CB-CE2 4.28Å; E25-Y27 PolarHBondContact OE2-OH 3.23Å
26V94.8Very high93.3Very high30 Ų3057 Ų5718%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-129.1139176.8-1710000108.7V18 L20 K24 Y28V18-V26 PolarHBondContact N-O 2.88Å; V18-V26 PolarHBondContact O-N 3.28Å; L20-V26 HydrophobicContact CD1-CG2 4.02Å; L20-V26 HydrophobicContact CG-CG2 4.35Å; K24-V26 HydrophobicContact CD-CG2 4.29Å; K24-V26 HydrophobicContact CG-CG2 4.18Å; V26-Y28 HydrophobicContact CB-CD2 4.5Å; V26-Y28 HydrophobicContact CB-CE2 3.75Å; V26-Y28 HydrophobicContact CG1-CD2 4.14Å; V26-Y28 HydrophobicContact CG1-CE1 4.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.39Å
27Y94.3Very high93.5Very high106 Ų10662 Ų6242%0.41631%0.306SS..EExtended strand (participates in β ladder)trans-110.4122.3-176.1-64.4-96.6000109.6V16 K17 E25 Y112V16-Y27 WeakPolarHBondContact O-CA 3.47Å; K17-Y27 HydrophobicContact CB-CD1 4.11Å; K17-Y27 HydrophobicContact CB-CE1 3.83Å; K17-Y27 HydrophobicContact CD-CE1 3.85Å; K17-Y27 WeakPolarHBondContact CD-OH 3.47Å; K17-Y27 HydrophobicContact CG-CD1 4.35Å; K17-Y27 HydrophobicContact CG-CE1 3.81Å; E25-Y27 HydrophobicContact CB-CE2 4.28Å; E25-Y27 PolarHBondContact OE2-OH 3.23Å; Y27-Y112 HydrophobicContact CD1-CD2 4.29Å; Y27-Y112 HydrophobicContact CD1-CG 4.36Å; Y27-Y112 AromaticContact CE1-CD2 3.66Å; Y27-Y112 HydrophobicContact CE1-CD2 3.66Å; Y27-Y112 HydrophobicContact CE1-CE2 4.06Å; Y27-Y112 HydrophobicContact CE1-CG 4.08Å
28Y94.6Very high93.7Very high26 Ų2664.5 Ų64.510%0.10232%0.32CS..EExtended strand (participates in β ladder)trans-111.7133.9179.2-67.8-89000110.2N15 V16 V18 V26 I39 D42 V43N15-Y28 CarbonylContact C-O 3.52Å; N15-Y28 VanDerWaalsContact CA-O 3.28Å; N15-Y28 WeakPolarHBondContact CA-O 3.3Å; V16-Y28 PolarHBondContact N-O 3.25Å; V16-Y28 PolarHBondContact O-N 2.81Å; V18-Y28 HydrophobicContact CB-CD2 4.14Å; V18-Y28 HydrophobicContact CB-CE2 4.08Å; V18-Y28 HydrophobicContact CG2-CD2 3.52Å; V18-Y28 HydrophobicContact CG2-CE2 3.86Å; V26-Y28 HydrophobicContact CB-CD2 4.5Å; V26-Y28 HydrophobicContact CB-CE2 3.75Å; V26-Y28 HydrophobicContact CG1-CD2 4.14Å; V26-Y28 HydrophobicContact CG1-CE1 4.45Å; V26-Y28 HydrophobicContact CG1-CE2 3.39Å; Y28-I39 HydrophobicContact CD2-CG2 4.18Å; Y28-I39 HydrophobicContact CG-CG2 4.12Å; Y28-D42 HydrophobicContact CD1-CB 4.07Å; Y28-D42 HydrophobicContact CE1-CB 3.59Å; Y28-V43 HydrophobicContact CD2-CG2 4.3Å; Y28-V43 HydrophobicContact CE1-CG2 4.5Å; Y28-V43 HydrophobicContact CE2-CG2 3.44Å; Y28-V43 VanDerWaalsContact CE2-CG2 3.44Å; Y28-V43 WeakPolarHBondContact OH-CA 3.47Å; Y28-V43 WeakPolarHBondContact OH-CG2 2.96Å
29K92.6Very high93.7Very high178 Ų17864.6 Ų64.677%0.77432%0.321SS*.EExtended strand (participates in β ladder)trans-77.6139.8171.4-77.5173.7-178.9-1790109.2N14 N15N14-K29 CarbonylContact O-C 3.56Å; N14-K29 WeakPolarHBondContact O-CA 3.45Å; N15-K29 WeakPolarHBondContact OD1-CG 3.33Å
30F91.7Very high93.8Very high11 Ų1165.7 Ų65.75%0.04832%0.324CS..  trans-133.3150.6173.870-92.6000110.8I13 N14 V16 T34 I39 M75 H76 I79I13-F30 WeakPolarHBondContact O-CE1 3.47Å; I13-F30 WeakPolarHBondContact O-CZ 3.34Å; N14-F30 PolarHBondContact O-N 3.05Å; V16-F30 HydrophobicContact CB-CD1 4.14Å; V16-F30 HydrophobicContact CB-CE1 4.22Å; V16-F30 HydrophobicContact CG1-CD1 4.28Å; F30-T34 HydrophobicContact CB-CG2 3.84Å; F30-I39 HydrophobicContact CB-CD1 4.35Å; F30-M75 HydrophobicContact CB-CB 4.17Å; F30-M75 HydrophobicContact CB-CG 4.16Å; F30-M75 HydrophobicContact CD1-CG 3.96Å; F30-M75 HydrophobicContact CD2-CB 3.96Å; F30-M75 HydrophobicContact CD2-CG 3.97Å; F30-M75 HydrophobicContact CE1-CG 4.31Å; F30-M75 HydrophobicContact CE2-CG 4.33Å; F30-M75 HydrophobicContact CG-CB 4.06Å; F30-M75 HydrophobicContact CG-CG 3.77Å; F30-M75 HydrophobicContact CZ-CG 4.48Å; F30-H76 HydrophobicContact CE2-CB 4.2Å; F30-I79 HydrophobicContact CE1-CG1 4.3Å; F30-I79 HydrophobicContact CE2-CG1 4.34Å; F30-I79 HydrophobicContact CZ-CG1 3.71Å
31T91.3Very high93.9Very high84 Ų8469.7 Ų69.752%0.51534%0.342SS..  trans-110.3-179.2170.566.70000109.3D33 T34T31-D33 PolarHBondContact O-N 3.48Å; T31-D33 PolarHBondContact OG1-N 3Å; T31-T34 PolarHBondContact N-OG1 3.21Å; T31-T34 PolarHBondContact O-N 2.87Å; T31-T34 PolarHBondContact OG1-OG1 2.91Å
32N88Confident94Very high110 Ų11073.5 Ų73.559%0.58836%0.363SS*.THydrogen-bonded Turntrans-63.5-23.5176-67-16.7000112.6F74 H76N32-F74 VanDerWaalsContact O-CD1 3.3Å; N32-F74 WeakPolarHBondContact O-CD1 3.46Å; N32-H76 PolarHBondContact O-CE1 3.37Å; N32-H76 PolarHBondContact O-ND1 3.29Å
33D91.8Very high94.3Very high127 Ų12769.5 Ų69.568%0.67934%0.341SS*.THydrogen-bonded Turntrans-95-7.6-177.3-51.4-44.3000112.8T31 L35T31-D33 PolarHBondContact O-N 3.48Å; T31-D33 PolarHBondContact OG1-N 3Å; D33-L35 PolarHBondContact O-N 3.2Å
34T94.7Very high94.5Very high22 Ų2264.3 Ų64.314%0.13531%0.314CS..  trans-70122.3178.8-560000110.6F30 T31 D38 I39 M75F30-T34 HydrophobicContact CB-CG2 3.84Å; T31-T34 PolarHBondContact N-OG1 3.21Å; T31-T34 PolarHBondContact O-N 2.87Å; T31-T34 PolarHBondContact OG1-OG1 2.91Å; T34-D38 HydrophobicContact CG2-CB 4.12Å; T34-I39 HydrophobicContact CG2-CD1 3.94Å; T34-I39 HydrophobicContact CG2-CG1 3.89Å; T34-M75 PolarHBondContact O-N 3.26Å
35L96.4Very high94.5Very high44 Ų4460.4 Ų60.423%0.2330%0.302CS..BIsolated β-bridgetrans-82.1158.5172.9-64.6173000110.8D33 E37 D38 S72 E73 F74D33-L35 PolarHBondContact O-N 3.2Å; L35-E37 HydrophobicContact CB-CB 4.42Å; L35-E37 PolarHBondContact O-N 3.35Å; L35-D38 PolarHBondContact N-OD2 2.95Å; L35-D38 PolarHBondContact O-N 3.02Å; L35-S72 WeakPolarHBondContact CD2-O 3.22Å; L35-E73 WeakPolarHBondContact CA-O 3.31Å; L35-F74 HydrophobicContact CD2-CD1 3.7Å; L35-F74 HydrophobicContact CD2-CE1 3.72Å; L35-F74 HydrophobicContact CD2-CG 4.18Å; L35-F74 HydrophobicContact CD2-CZ 4.21Å; L35-F74 HydrophobicContact CG-CD1 4.48Å; L35-F74 HydrophobicContact CG-CE1 4.42Å
36V96.1Very high94.5Very high3 Ų359.6 Ų59.62%0.01831%0.306CS..Hα-helixtrans-61.7-35.7171.1172.50000110.2D38 I39 F40 L57 I69 E73 M75 I78V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 3.41Å; V36-I39 PolarHBondContact O-N 3.24Å; V36-F40 WeakPolarHBondContact O-CB 3.35Å; V36-F40 PolarHBondContact O-N 2.84Å; V36-L57 HydrophobicContact CG1-CB 4.34Å; V36-L57 HydrophobicContact CG1-CD1 3.98Å; V36-I69 HydrophobicContact CB-CG2 4.21Å; V36-I69 HydrophobicContact CG1-CB 4.08Å; V36-I69 HydrophobicContact CG1-CG2 3.8Å; V36-I69 HydrophobicContact CG2-CG2 3.53Å; V36-E73 WeakPolarHBondContact CG2-O 3.45Å; V36-E73 PolarHBondContact N-O 2.88Å; V36-M75 HydrophobicContact CG2-SD 4.26Å; V36-I78 HydrophobicContact CG2-CG1 4.07Å
37E96.7Very high94.3Very high107 Ų10759.8 Ų59.850%0.531%0.306SS..Hα-helixtrans-58.9-39.7174.4-172.1171-164.500113.1L35 I39 F40 H41 P71L35-E37 HydrophobicContact CB-CB 4.42Å; L35-E37 PolarHBondContact O-N 3.35Å; E37-I39 PolarHBondContact O-N 2.89Å; E37-F40 PolarHBondContact O-N 3.24Å; E37-H41 WeakPolarHBondContact O-CB 3.32Å; E37-H41 PolarHBondContact O-N 3.3Å; E37-P71 HydrophobicContact CB-CB 3.95Å; E37-P71 WeakPolarHBondContact CB-O 3.49Å; E37-P71 HydrophobicContact CG-CB 4.48Å; E37-P71 PolarHBondContact N-O 2.99Å
38D96.7Very high94.2Very high74 Ų7460.7 Ų60.740%0.39632%0.318SS..Hα-helixtrans-61.7-47.8179.3-60.7-39.5000110.8T34 L35 V36 F40 H41 D42T34-D38 HydrophobicContact CG2-CB 4.12Å; L35-D38 PolarHBondContact N-OD2 2.95Å; L35-D38 PolarHBondContact O-N 3.02Å; V36-D38 VanDerWaalsContact C-N 3.34Å; V36-D38 PolarHBondContact O-N 3.41Å; D38-F40 VanDerWaalsContact C-N 3.33Å; D38-F40 PolarHBondContact O-N 3.4Å; D38-H41 PolarHBondContact O-N 3.43Å; D38-D42 PolarHBondContact O-N 2.89Å
39I96.4Very high94Very high2 Ų259.5 Ų59.51%0.0131%0.313CS..Hα-helixtrans-64.3-41.9178.1-64.1157.9000110.1V16 V18 Y28 F30 T34 V36 E37 D42 V43 L57 M75V16-I39 HydrophobicContact CG1-CD1 3.97Å; V16-I39 HydrophobicContact CG1-CG2 4.34Å; V18-I39 HydrophobicContact CG2-CG2 3.95Å; Y28-I39 HydrophobicContact CD2-CG2 4.18Å; Y28-I39 HydrophobicContact CG-CG2 4.12Å; F30-I39 HydrophobicContact CB-CD1 4.35Å; T34-I39 HydrophobicContact CG2-CD1 3.94Å; T34-I39 HydrophobicContact CG2-CG1 3.89Å; V36-I39 PolarHBondContact O-N 3.24Å; E37-I39 PolarHBondContact O-N 2.89Å; I39-D42 PolarHBondContact O-N 3.22Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 3.24Å; I39-L57 HydrophobicContact CB-CD1 4.3Å; I39-L57 HydrophobicContact CG2-CD1 3.99Å; I39-M75 HydrophobicContact CD1-CB 3.91Å; I39-M75 HydrophobicContact CD1-CG 3.57Å; I39-M75 HydrophobicContact CD1-SD 3.55Å; I39-M75 VanDerWaalsContact CD1-SD 3.55Å
40F97.2Very high93.9Very high38 Ų3857.8 Ų57.817%0.16731%0.308CS..Hα-helixtrans-61.5-43.7176.7175.6-103000111.9V36 E37 D38 D42 V43 C44 R52 F55 L57 F117V36-F40 WeakPolarHBondContact O-CB 3.35Å; V36-F40 PolarHBondContact O-N 2.84Å; E37-F40 PolarHBondContact O-N 3.24Å; D38-F40 VanDerWaalsContact C-N 3.33Å; D38-F40 PolarHBondContact O-N 3.4Å; F40-D42 PolarHBondContact O-N 2.8Å; F40-V43 WeakPolarHBondContact O-CB 3.46Å; F40-V43 PolarHBondContact O-N 3.26Å; F40-C44 VanDerWaalsContact CZ-SG 3.55Å; F40-C44 PolarHBondContact O-N 3.48Å; F40-C44 PolarHBondContact O-SG 3.23Å; F40-R52 HydrophobicContact CE1-CB 4.21Å; F40-R52 HydrophobicContact CZ-CB 4.31Å; F40-F55 HydrophobicContact CE2-CB 3.79Å; F40-F55 HydrophobicContact CZ-CB 3.93Å; F40-L57 HydrophobicContact CB-CD1 4.06Å; F40-L57 HydrophobicContact CB-CG 4.24Å; F40-L57 HydrophobicContact CD2-CG 4.16Å; F40-F117 HydrophobicContact CD2-CD2 4.29Å; F40-F117 HydrophobicContact CD2-CE2 4.08Å; F40-F117 HydrophobicContact CE2-CD2 4.14Å; F40-F117 AromaticContact CE2-CE2 3.57Å; F40-F117 HydrophobicContact CE2-CE2 3.57Å; F40-F117 HydrophobicContact CZ-CE2 4.45Å
41H96.2Very high93.9Very high89 Ų8959.6 Ų59.641%0.41232%0.317SS..Hα-helixtrans-60.7-44.1176.8179.2-84.9000111.8E37 D38 V43 C44 S45 R52E37-H41 WeakPolarHBondContact O-CB 3.32Å; E37-H41 PolarHBondContact O-N 3.3Å; D38-H41 PolarHBondContact O-N 3.43Å; H41-V43 VanDerWaalsContact C-N 3.35Å; H41-C44 PolarHBondContact O-N 3.2Å; H41-S45 PolarHBondContact CE1-OG 2.84Å; H41-S45 VanDerWaalsContact CE1-OG 3.28Å; H41-S45 VanDerWaalsContact O-CB 3.31Å; H41-S45 WeakPolarHBondContact O-CB 3.19Å; H41-S45 PolarHBondContact O-N 2.82Å; H41-S45 PolarHBondContact O-OG 3.02Å; H41-R52 PolarHBondContact CD2-NH1 3.02Å; H41-R52 PolarHBondContact NE2-NH1 3.45Å
42D95.9Very high94Very high83 Ų8358.2 Ų58.244%0.44430%0.302SS..Hα-helixtrans-64.2-39.3176.9-74.6-12.5000112.1Y28 D38 I39 F40 S46Y28-D42 HydrophobicContact CD1-CB 4.07Å; Y28-D42 HydrophobicContact CE1-CB 3.59Å; D38-D42 PolarHBondContact O-N 2.89Å; I39-D42 PolarHBondContact O-N 3.22Å; F40-D42 PolarHBondContact O-N 2.8Å; D42-S46 WeakPolarHBondContact O-CB 3.37Å; D42-S46 PolarHBondContact O-N 3.02Å
43V96Very high94.2Very high0 Ų059.8 Ų59.80%031%0.31CS..Hα-helixtrans-61.3-53.3173.6171.90000110.6V18 L20 Y28 I39 F40 H41 S45 S46 M47 F117V18-V43 HydrophobicContact CB-CG2 4.39Å; V18-V43 HydrophobicContact CG1-CG2 3.91Å; V18-V43 HydrophobicContact CG2-CG2 4.26Å; L20-V43 HydrophobicContact CD2-CG1 3.6Å; Y28-V43 HydrophobicContact CD2-CG2 4.3Å; Y28-V43 HydrophobicContact CE1-CG2 4.5Å; Y28-V43 HydrophobicContact CE2-CG2 3.44Å; Y28-V43 VanDerWaalsContact CE2-CG2 3.44Å; Y28-V43 WeakPolarHBondContact OH-CA 3.47Å; Y28-V43 WeakPolarHBondContact OH-CG2 2.96Å; I39-V43 WeakPolarHBondContact O-CG2 3.41Å; I39-V43 PolarHBondContact O-N 3.24Å; F40-V43 WeakPolarHBondContact O-CB 3.46Å; F40-V43 PolarHBondContact O-N 3.26Å; H41-V43 VanDerWaalsContact C-N 3.35Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 2.92Å; V43-S46 PolarHBondContact O-N 2.97Å; V43-S46 PolarHBondContact O-OG 2.84Å; V43-M47 HydrophobicContact CG1-SD 4.04Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 3.14Å; V43-F117 HydrophobicContact CG1-CB 4.43Å; V43-F117 HydrophobicContact CG1-CD2 3.56Å; V43-F117 HydrophobicContact CG1-CE2 3.99Å; V43-F117 HydrophobicContact CG1-CG 4.1Å
44C95.2Very high94.4Very high0 Ų054.5 Ų54.50%028%0.282CS..Hα-helixtrans-59.2-40.5179.3-730000112.4F40 H41 M47 N48 L49 R52F40-C44 VanDerWaalsContact CZ-SG 3.55Å; F40-C44 PolarHBondContact O-N 3.48Å; F40-C44 PolarHBondContact O-SG 3.23Å; H41-C44 PolarHBondContact O-N 3.2Å; C44-M47 CarbonylContact O-C 3.6Å; C44-M47 PolarHBondContact O-N 2.96Å; C44-N48 PolarHBondContact O-N 3.03Å; C44-N48 VanDerWaalsContact O-N 3.11Å; C44-L49 HydrophobicContact CB-CB 4.45Å; C44-L49 PolarHBondContact O-N 3.04Å; C44-R52 HydrophobicContact CB-CG 3.87Å
45S94.3Very high94.5Very high44 Ų4453.8 Ų53.831%0.30828%0.277SS..Hα-helixtrans-65.5-41.4177.6-59.80000111.7H41 V43 M47 N48H41-S45 PolarHBondContact CE1-OG 2.84Å; H41-S45 VanDerWaalsContact CE1-OG 3.28Å; H41-S45 VanDerWaalsContact O-CB 3.31Å; H41-S45 WeakPolarHBondContact O-CB 3.19Å; H41-S45 PolarHBondContact O-N 2.82Å; H41-S45 PolarHBondContact O-OG 3.02Å; V43-S45 VanDerWaalsContact C-N 3.29Å; V43-S45 PolarHBondContact O-N 2.92Å; S45-M47 PolarHBondContact O-N 2.88Å; S45-N48 PolarHBondContact O-N 2.87Å; S45-N48 VanDerWaalsContact O-N 3.1Å; S45-N48 PolarHBondContact O-OD1 2.96Å
46S92.9Very high94.5Very high73 Ų7352.1 Ų52.151%0.5127%0.27SS..Hα-helixtrans-64-23.4176.179.10000113.6D42 V43D42-S46 WeakPolarHBondContact O-CB 3.37Å; D42-S46 PolarHBondContact O-N 3.02Å; V43-S46 PolarHBondContact O-N 2.97Å; V43-S46 PolarHBondContact O-OG 2.84Å
47M91Very high94.5Very high35 Ų3552.2 Ų52.217%0.17227%0.27CS..THydrogen-bonded Turntrans-99.12178.7-64.517765.400112.9L20 V43 C44 S45 L49 F117 I136L20-M47 HydrophobicContact CD1-CG 4.37Å; L20-M47 HydrophobicContact CD1-SD 3.96Å; L20-M47 HydrophobicContact CD2-SD 3.95Å; L20-M47 HydrophobicContact CG-SD 4.48Å; V43-M47 HydrophobicContact CG1-SD 4.04Å; V43-M47 WeakPolarHBondContact O-CG 3.28Å; V43-M47 PolarHBondContact O-N 3.14Å; C44-M47 CarbonylContact O-C 3.6Å; C44-M47 PolarHBondContact O-N 2.96Å; S45-M47 PolarHBondContact O-N 2.88Å; M47-L49 HydrophobicContact CB-CD1 4.05Å; M47-L49 HydrophobicContact CB-CG 3.82Å; M47-L49 HydrophobicContact CE-CD1 4.16Å; M47-L49 PolarHBondContact O-N 2.77Å; M47-L49 HydrophobicContact SD-CD1 4.37Å; M47-F117 HydrophobicContact CE-CE1 4.38Å; M47-F117 HydrophobicContact SD-CE1 4.45Å; M47-I136 HydrophobicContact CE-CD1 3.41Å; M47-I136 VanDerWaalsContact CE-CD1 3.41Å; M47-I136 HydrophobicContact CE-CG1 3.7Å; M47-I136 HydrophobicContact CE-CG2 4.13Å
48N91.7Very high94.5Very high125 Ų12547.1 Ų47.167%0.66825%0.247SC*.THydrogen-bonded Turntrans56.427.3-175.8-65.4-38.5000115.1C44 S45C44-N48 PolarHBondContact O-N 3.03Å; C44-N48 VanDerWaalsContact O-N 3.11Å; S45-N48 PolarHBondContact O-N 2.87Å; S45-N48 VanDerWaalsContact O-N 3.1Å; S45-N48 PolarHBondContact O-OD1 2.96Å
49L92.2Very high94.2Very high1 Ų143.7 Ų43.71%0.00523%0.228CC..  trans-77.5131.9-177.4-60.5175.7000111.7C44 M47 R52 F55 F117 A132 I136C44-L49 HydrophobicContact CB-CB 4.45Å; C44-L49 PolarHBondContact O-N 3.04Å; M47-L49 HydrophobicContact CB-CD1 4.05Å; M47-L49 HydrophobicContact CB-CG 3.82Å; M47-L49 HydrophobicContact CE-CD1 4.16Å; M47-L49 PolarHBondContact O-N 2.77Å; M47-L49 HydrophobicContact SD-CD1 4.37Å; L49-R52 HydrophobicContact CB-CG 4.4Å; L49-R52 PolarHBondContact O-NE 2.93Å; L49-R52 PolarHBondContact O-NH2 3.29Å; L49-F55 HydrophobicContact CD1-CD2 4.33Å; L49-F55 HydrophobicContact CD1-CE2 4.03Å; L49-F117 HydrophobicContact CD1-CE1 4.34Å; L49-F117 HydrophobicContact CD1-CZ 3.81Å; L49-A132 HydrophobicContact CD2-CB 4.34Å; L49-I136 HydrophobicContact CD2-CG1 4.32Å
50Q89.5Confident93.8Very high141 Ų14145.7 Ų45.766%0.65924%0.239SC*.SBendtrans-97.7-42.8172.3-57-57.2-50.700111.5R52 E130Q50-R52 PolarHBondContact O-N 2.85Å; Q50-R52 VanDerWaalsContact O-N 3.08Å; Q50-E130 WeakPolarHBondContact CB-OE2 3.47Å; Q50-E130 PolarHBondContact N-OE2 3.4Å
51E91.9Very high93Very high49 Ų4944.8 Ų44.823%0.22924%0.237CC..  trans-85.175.4-179.8-68.2176131.700110.8F55 I128 N129 E130 T133E51-F55 WeakPolarHBondContact O-CE2 3.36Å; E51-I128 VanDerWaalsContact OE2-CG2 3.25Å; E51-I128 WeakPolarHBondContact OE2-CG2 3.3Å; E51-N129 PolarHBondContact OE1-N 2.87Å; E51-N129 PolarHBondContact OE1-ND2 2.96Å; E51-N129 PolarHBondContact OE2-N 3.4Å; E51-E130 PolarHBondContact N-OE2 2.94Å; E51-E130 VanDerWaalsContact OE2-CB 3.23Å; E51-E130 WeakPolarHBondContact OE2-CB 3.47Å; E51-E130 PolarHBondContact OE2-N 3.46Å; E51-T133 HydrophobicContact CB-CG2 3.98Å
52R93.7Very high91.9Very high55 Ų5544.2 Ų44.221%0.20824%0.237CC..  trans-86.8-26.3-169.6-57.4172.6-171.9-176.1-1.4114.4F40 H41 C44 L49 Q50 I54 F55F40-R52 HydrophobicContact CE1-CB 4.21Å; F40-R52 HydrophobicContact CZ-CB 4.31Å; H41-R52 PolarHBondContact CD2-NH1 3.02Å; H41-R52 PolarHBondContact NE2-NH1 3.45Å; C44-R52 HydrophobicContact CB-CG 3.87Å; L49-R52 HydrophobicContact CB-CG 4.4Å; L49-R52 PolarHBondContact O-NE 2.93Å; L49-R52 PolarHBondContact O-NH2 3.29Å; Q50-R52 PolarHBondContact O-N 2.85Å; Q50-R52 VanDerWaalsContact O-N 3.08Å; R52-I54 PolarHBondContact O-N 2.92Å; R52-F55 PolarHBondContact O-N 3.26Å
53D92.8Very high90.6Very high143 Ų14346.7 Ų46.777%0.76525%0.25SS*.THydrogen-bonded Turntrans-61.6-20.8-167.4-58.6-32.2000114.3F55 F121D53-F55 VanDerWaalsContact C-N 3.32Å; D53-F121 WeakPolarHBondContact O-CD2 3.47Å
54I94.7Very high89.4Confident16 Ų1655 Ų558%0.08229%0.289CS..THydrogen-bonded Turntrans-79.8-14.5177.865.1176.4000113.2R52 V119 R120 F121 I123 I128 T133 Y137R52-I54 PolarHBondContact O-N 2.92Å; I54-V119 CarbonylContact O-C 3.49Å; I54-R120 PolarHBondContact O-N 3.24Å; I54-F121 PolarHBondContact O-N 2.87Å; I54-I123 HydrophobicContact CG2-CD1 3.72Å; I54-I123 HydrophobicContact CG2-CG1 4.23Å; I54-I128 HydrophobicContact CD1-CD1 4.06Å; I54-I128 HydrophobicContact CD1-CG1 4.45Å; I54-T133 HydrophobicContact CD1-CG2 3.63Å; I54-Y137 HydrophobicContact CD1-CD2 4.02Å
55F96.8Very high88.8Confident8 Ų856.1 Ų56.14%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-102.3167.6-175.4-57.6-73.6000112.3L21 F40 L49 E51 R52 D53 F117 R118 V119 T133 I136L21-F55 HydrophobicContact CD1-CE1 4.44Å; F40-F55 HydrophobicContact CE2-CB 3.79Å; F40-F55 HydrophobicContact CZ-CB 3.93Å; L49-F55 HydrophobicContact CD1-CD2 4.33Å; L49-F55 HydrophobicContact CD1-CE2 4.03Å; E51-F55 WeakPolarHBondContact O-CE2 3.36Å; R52-F55 PolarHBondContact O-N 3.26Å; D53-F55 VanDerWaalsContact C-N 3.32Å; F55-F117 HydrophobicContact CB-CE1 4.15Å; F55-F117 HydrophobicContact CB-CE2 3.77Å; F55-F117 HydrophobicContact CB-CZ 3.46Å; F55-F117 VanDerWaalsContact CB-CZ 3.46Å; F55-F117 AromaticContact CD1-CE1 3.53Å; F55-F117 HydrophobicContact CD1-CE1 3.53Å; F55-F117 AromaticContact CD1-CZ 3.64Å; F55-F117 HydrophobicContact CD1-CZ 3.64Å; F55-F117 HydrophobicContact CD2-CE1 4.4Å; F55-F117 AromaticContact CD2-CZ 3.78Å; F55-F117 HydrophobicContact CD2-CZ 3.78Å; F55-F117 AromaticContact CE1-CE1 3.96Å; F55-F117 HydrophobicContact CE1-CE1 3.96Å; F55-F117 HydrophobicContact CE1-CZ 4.3Å; F55-F117 HydrophobicContact CE2-CZ 4.4Å; F55-F117 AromaticContact CG-CE1 3.78Å; F55-F117 HydrophobicContact CG-CE1 3.78Å; F55-F117 HydrophobicContact CG-CE2 4.18Å; F55-F117 AromaticContact CG-CZ 3.35Å; F55-F117 HydrophobicContact CG-CZ 3.35Å; F55-R118 CarbonylContact C-O 3.56Å; F55-R118 VanDerWaalsContact CA-O 3.3Å; F55-R118 WeakPolarHBondContact CA-O 3.29Å; F55-V119 HydrophobicContact CD1-CG2 3.89Å; F55-V119 HydrophobicContact CE1-CG2 3.67Å; F55-T133 HydrophobicContact CE2-CG2 3.78Å; F55-T133 HydrophobicContact CZ-CG2 3.86Å; F55-I136 HydrophobicContact CE1-CG2 3.69Å; F55-I136 HydrophobicContact CZ-CB 4.26Å; F55-I136 HydrophobicContact CZ-CG2 3.83Å
56G96.7Very high88.6Confident8 Ų856.6 Ų56.68%0.08230%0.296CS..EExtended strand (participates in β ladder)trans-165.6171.7171.200000111.7R118G56-R118 PolarHBondContact N-O 3.47Å; G56-R118 PolarHBondContact O-N 3.47Å
57L96.8Very high88.6Confident5 Ų555.7 Ų55.73%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-91.3134.4169.6-63.4177.6000109.4V18 V36 I39 F40 I69 V115 Y116 F117V18-L57 HydrophobicContact CG1-CD2 4.08Å; V36-L57 HydrophobicContact CG1-CB 4.34Å; V36-L57 HydrophobicContact CG1-CD1 3.98Å; I39-L57 HydrophobicContact CB-CD1 4.3Å; I39-L57 HydrophobicContact CG2-CD1 3.99Å; F40-L57 HydrophobicContact CB-CD1 4.06Å; F40-L57 HydrophobicContact CB-CG 4.24Å; F40-L57 HydrophobicContact CD2-CG 4.16Å; L57-I69 HydrophobicContact CB-CD1 4.35Å; L57-I69 PolarHBondContact O-N 3.37Å; L57-V115 HydrophobicContact CD2-CG2 4.36Å; L57-Y116 WeakPolarHBondContact CA-O 3.25Å; L57-F117 HydrophobicContact CD2-CB 4.37Å; L57-F117 HydrophobicContact CD2-CD2 4.39Å
58A95.1Very high88.7Confident0 Ų056.8 Ų56.80%029%0.289CS..EExtended strand (participates in β ladder)trans-131.5155.2178.900000111.5W66 L67 F68 V115 Y116 R118A58-W66 HydrophobicContact CB-CB 4.17Å; A58-W66 HydrophobicContact CB-CE3 4.32Å; A58-L67 CarbonylContact C-O 3.6Å; A58-L67 WeakPolarHBondContact CA-O 3.4Å; A58-F68 HydrophobicContact CB-CD1 3.98Å; A58-F68 HydrophobicContact CB-CE1 4.02Å; A58-F68 HydrophobicContact CB-CG 4.27Å; A58-F68 HydrophobicContact CB-CZ 4.34Å; A58-V115 CarbonylContact O-C 3.55Å; A58-V115 WeakPolarHBondContact O-CA 3.08Å; A58-Y116 PolarHBondContact N-O 3.38Å; A58-Y116 PolarHBondContact O-N 3.22Å; A58-R118 HydrophobicContact CB-CG 4.45Å
59M91.7Very high88.9Confident2 Ų251.2 Ų51.21%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-111.3153.1167.963.9-177.967.100110.2W66 L67 I69 I78 Y82 F83M59-W66 CarbonylContact O-C 3.53Å; M59-W66 WeakPolarHBondContact O-CA 3.3Å; M59-L67 HydrophobicContact CG-CB 3.81Å; M59-L67 HydrophobicContact CG-CD2 4.3Å; M59-L67 HydrophobicContact CG-CG 4.41Å; M59-L67 PolarHBondContact N-O 2.84Å; M59-L67 PolarHBondContact O-N 3.35Å; M59-L67 HydrophobicContact SD-CD2 3.99Å; M59-I69 HydrophobicContact CE-CD1 3.9Å; M59-I69 HydrophobicContact CE-CG1 3.81Å; M59-I78 HydrophobicContact CE-CG2 3.56Å; M59-Y82 HydrophobicContact CE-CD1 4.15Å; M59-Y82 HydrophobicContact CE-CD2 3.63Å; M59-Y82 HydrophobicContact CE-CE2 4.13Å; M59-Y82 HydrophobicContact CE-CG 3.63Å; M59-Y82 HydrophobicContact SD-CD1 3.47Å; M59-Y82 WeakPolarHBondContact SD-CD1 3.4Å; M59-Y82 HydrophobicContact SD-CD2 4.08Å; M59-Y82 HydrophobicContact SD-CE1 4.07Å; M59-Y82 HydrophobicContact SD-CG 3.47Å; M59-F83 HydrophobicContact CB-CZ 4.43Å; M59-F83 HydrophobicContact CE-CE2 4.21Å
60L87Confident88.9Confident45 Ų4555.8 Ų55.824%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-86.1118.3173.5-175.966.8000109W66 C106 Y116L60-W66 HydrophobicContact CB-CE3 4.21Å; L60-W66 HydrophobicContact CB-CH2 4.2Å; L60-W66 HydrophobicContact CB-CZ3 3.76Å; L60-W66 HydrophobicContact CD1-CD2 4.33Å; L60-W66 HydrophobicContact CD1-CE3 4.29Å; L60-W66 HydrophobicContact CD1-CH2 3.96Å; L60-W66 HydrophobicContact CD1-CZ2 3.96Å; L60-W66 HydrophobicContact CD1-CZ3 4.11Å; L60-W66 HydrophobicContact CG-CZ3 4.49Å; L60-C106 PolarHBondContact O-SG 2.83Å; L60-Y116 HydrophobicContact CB-CE2 4.45Å
61C82Confident89.2Confident19 Ų1951.3 Ų51.313%0.12826%0.264CS..EExtended strand (participates in β ladder)trans-105.6126.4176-67.10000110.3D63 E64 G65C61-D63 PolarHBondContact O-N 3.22Å; C61-E64 PolarHBondContact O-N 2.97Å; C61-G65 PolarHBondContact N-O 3.08Å; C61-G65 PolarHBondContact O-N 3.03Å
62N71.3Confident89.3Confident77 Ų7752.6 Ų52.641%0.41228%0.278SS..THydrogen-bonded Turntrans50.431.2170.3-53.5-7.8000115.1E64 N104N62-E64 PolarHBondContact O-N 3.02Å; N62-N104 PolarHBondContact OD1-O 2.99Å
63D69.5Low89.2Confident134 Ų13453.2 Ų53.272%0.71728%0.284SS*.THydrogen-bonded Turntrans57.33.9-176.2-58.7-35.8000116.3C61C61-D63 PolarHBondContact O-N 3.22Å
64E70.1Confident89.3Confident174 Ų17449.6 Ų49.681%0.81326%0.261SS*.THydrogen-bonded Turntrans-107.8-22.4-173.3-73-174.2168.600113.4C61 N62C61-E64 PolarHBondContact O-N 2.97Å; N62-E64 PolarHBondContact O-N 3.02Å
65G83.3Confident89.1Confident25 Ų2548.9 Ų48.926%0.25826%0.257SS..EExtended strand (participates in β ladder)trans-163.3165.5-173.100000116.1C61C61-G65 PolarHBondContact N-O 3.08Å; C61-G65 PolarHBondContact O-N 3.03Å
66W90.1Very high88.7Confident53 Ų5350.9 Ų50.920%0.20127%0.267CS..EExtended strand (participates in β ladder)trans-99.9123.1176.6-59.598.7000109.8A58 M59 L60 Y116 R118 Y148A58-W66 HydrophobicContact CB-CB 4.17Å; A58-W66 HydrophobicContact CB-CE3 4.32Å; M59-W66 CarbonylContact O-C 3.53Å; M59-W66 WeakPolarHBondContact O-CA 3.3Å; L60-W66 HydrophobicContact CB-CE3 4.21Å; L60-W66 HydrophobicContact CB-CH2 4.2Å; L60-W66 HydrophobicContact CB-CZ3 3.76Å; L60-W66 HydrophobicContact CD1-CD2 4.33Å; L60-W66 HydrophobicContact CD1-CE3 4.29Å; L60-W66 HydrophobicContact CD1-CH2 3.96Å; L60-W66 HydrophobicContact CD1-CZ2 3.96Å; L60-W66 HydrophobicContact CD1-CZ3 4.11Å; L60-W66 HydrophobicContact CG-CZ3 4.49Å; W66-Y116 HydrophobicContact CE3-CD2 4.4Å; W66-Y116 HydrophobicContact CE3-CG 4.41Å; W66-Y116 AromaticContact CH2-CD1 3.94Å; W66-Y116 HydrophobicContact CH2-CD1 3.94Å; W66-Y116 HydrophobicContact CH2-CD2 4.22Å; W66-Y116 HydrophobicContact CH2-CE1 4.14Å; W66-Y116 HydrophobicContact CH2-CE2 4.39Å; W66-Y116 AromaticContact CH2-CG 3.99Å; W66-Y116 HydrophobicContact CH2-CG 3.99Å; W66-Y116 AromaticContact CZ3-CD1 3.92Å; W66-Y116 HydrophobicContact CZ3-CD1 3.92Å; W66-Y116 AromaticContact CZ3-CD2 3.46Å; W66-Y116 HydrophobicContact CZ3-CD2 3.46Å; W66-Y116 VanDerWaalsContact CZ3-CD2 3.46Å; W66-Y116 HydrophobicContact CZ3-CE1 4.33Å; W66-Y116 AromaticContact CZ3-CE2 3.91Å; W66-Y116 HydrophobicContact CZ3-CE2 3.91Å; W66-Y116 AromaticContact CZ3-CG 3.46Å; W66-Y116 HydrophobicContact CZ3-CG 3.46Å; W66-Y116 VanDerWaalsContact CZ3-CG 3.46Å; W66-R118 VanDerWaalsContact NE1-NH2 3.17Å; W66-Y148 VanDerWaalsContact CD1-OH 3.23Å; W66-Y148 PolarHBondContact NE1-OH 2.7Å
67L91.9Very high88.2Confident54 Ų5456.3 Ų56.328%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-97.5112170.7179.766.1000108.8A58 M59 Y82A58-L67 CarbonylContact C-O 3.6Å; A58-L67 WeakPolarHBondContact CA-O 3.4Å; M59-L67 HydrophobicContact CG-CB 3.81Å; M59-L67 HydrophobicContact CG-CD2 4.3Å; M59-L67 HydrophobicContact CG-CG 4.41Å; M59-L67 PolarHBondContact N-O 2.84Å; M59-L67 PolarHBondContact O-N 3.35Å; M59-L67 HydrophobicContact SD-CD2 3.99Å; L67-Y82 HydrophobicContact CD2-CD1 4.32Å; L67-Y82 HydrophobicContact CD2-CE1 3.57Å
68F94.4Very high87.8Confident58 Ų5856.5 Ų56.525%0.25429%0.286SS..EExtended strand (participates in β ladder)trans-71.5133.8174-76.8-85.5000110.4A58 R118 V119 R120A58-F68 HydrophobicContact CB-CD1 3.98Å; A58-F68 HydrophobicContact CB-CE1 4.02Å; A58-F68 HydrophobicContact CB-CG 4.27Å; A58-F68 HydrophobicContact CB-CZ 4.34Å; F68-R118 HydrophobicContact CE1-CB 4.02Å; F68-R118 HydrophobicContact CZ-CB 3.99Å; F68-V119 VanDerWaalsContact CZ-O 3.28Å; F68-V119 WeakPolarHBondContact CZ-O 3.21Å; F68-R120 HydrophobicContact CD1-CB 3.8Å; F68-R120 HydrophobicContact CD1-CG 3.79Å; F68-R120 HydrophobicContact CD2-CG 4.29Å; F68-R120 HydrophobicContact CE1-CB 3.53Å; F68-R120 HydrophobicContact CE1-CG 3.99Å; F68-R120 HydrophobicContact CE2-CG 4.47Å; F68-R120 HydrophobicContact CG-CB 4.42Å; F68-R120 HydrophobicContact CG-CG 3.96Å; F68-R120 VanDerWaalsContact CZ-CA 3.46Å; F68-R120 HydrophobicContact CZ-CB 3.96Å; F68-R120 HydrophobicContact CZ-CG 4.35Å
69I94.7Very high87.4Confident9 Ų957.1 Ų57.15%0.04629%0.289CS..PPolyproline II helixtrans-87.5137.1-178-53169000108.2V36 L57 M59 I78 V115V36-I69 HydrophobicContact CB-CG2 4.21Å; V36-I69 HydrophobicContact CG1-CB 4.08Å; V36-I69 HydrophobicContact CG1-CG2 3.8Å; V36-I69 HydrophobicContact CG2-CG2 3.53Å; L57-I69 HydrophobicContact CB-CD1 4.35Å; L57-I69 PolarHBondContact O-N 3.37Å; M59-I69 HydrophobicContact CE-CD1 3.9Å; M59-I69 HydrophobicContact CE-CG1 3.81Å; I69-I78 HydrophobicContact CD1-CG2 4.19Å; I69-I78 HydrophobicContact CG2-CD1 3.69Å; I69-I78 HydrophobicContact CG2-CG1 3.76Å; I69-I78 HydrophobicContact CG2-CG2 4.35Å; I69-V115 HydrophobicContact CD1-CB 4.3Å; I69-V115 HydrophobicContact CD1-CG1 3.68Å
70E94Very high87Confident96 Ų9660.5 Ų60.545%0.44931%0.31SS..PPolyproline II helixtrans-70.8127.6178.2-16759.3-156.600110.3S72 E73 R120E70-S72 PolarHBondContact O-N 3.02Å; E70-E73 HydrophobicContact CB-CG 4.05Å; E70-E73 PolarHBondContact O-N 2.79Å; E70-E73 VanDerWaalsContact O-N 3.14Å; E70-R120 IonicContact OE2-NH1 3.89Å; E70-R120 IonicContact OE2-NH2 2.82Å
71P94.4Very high86.8Confident47 Ų4763.5 Ų63.531%0.30533%0.326SS..THydrogen-bonded Turntrans-59.9-31.8-174.7-25.234.8000113.9E37 E73E37-P71 HydrophobicContact CB-CB 3.95Å; E37-P71 WeakPolarHBondContact CB-O 3.49Å; E37-P71 HydrophobicContact CG-CB 4.48Å; E37-P71 PolarHBondContact N-O 2.99Å; P71-E73 VanDerWaalsContact C-N 3.26Å; P71-E73 PolarHBondContact O-N 3.28Å
72S93.7Very high86.6Confident76 Ų7666 Ų6653%0.53133%0.333SS..THydrogen-bonded Turntrans-78.6-2-17962.50000114.5L35 E70L35-S72 WeakPolarHBondContact CD2-O 3.22Å; E70-S72 PolarHBondContact O-N 3.02Å
73E93.3Very high86.8Confident69 Ų6963 Ų6332%0.32232%0.317SS..SBendtrans-84.3149.6177.4-75.9-64.9153.800112.1L35 V36 E70 P71 I78L35-E73 WeakPolarHBondContact CA-O 3.31Å; V36-E73 WeakPolarHBondContact CG2-O 3.45Å; V36-E73 PolarHBondContact N-O 2.88Å; E70-E73 HydrophobicContact CB-CG 4.05Å; E70-E73 PolarHBondContact O-N 2.79Å; E70-E73 VanDerWaalsContact O-N 3.14Å; P71-E73 VanDerWaalsContact C-N 3.26Å; P71-E73 PolarHBondContact O-N 3.28Å; E73-I78 HydrophobicContact CB-CD1 3.94Å; E73-I78 HydrophobicContact CB-CG1 4.24Å; E73-I78 HydrophobicContact CG-CD1 4.36Å
74F93.2Very high86.7Confident66 Ų6659.3 Ų59.329%0.28930%0.299SS..BIsolated β-bridgetrans-78.5134.6175.1-67.1-76.1000111.3N32 L35 H76 R77 I78N32-F74 VanDerWaalsContact O-CD1 3.3Å; N32-F74 WeakPolarHBondContact O-CD1 3.46Å; L35-F74 HydrophobicContact CD2-CD1 3.7Å; L35-F74 HydrophobicContact CD2-CE1 3.72Å; L35-F74 HydrophobicContact CD2-CG 4.18Å; L35-F74 HydrophobicContact CD2-CZ 4.21Å; L35-F74 HydrophobicContact CG-CD1 4.48Å; L35-F74 HydrophobicContact CG-CE1 4.42Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 VanDerWaalsContact CB-CE1 3.43Å; F74-H76 WeakPolarHBondContact CB-CE1 3.48Å; F74-H76 WeakPolarHBondContact CB-ND1 2.94Å; F74-H76 AromaticContact CG-CE1 3.84Å; F74-H76 PolarHBondContact O-N 2.9Å; F74-R77 HydrophobicContact CB-CG 4.19Å; F74-R77 WeakPolarHBondContact O-CB 3.39Å; F74-R77 PolarHBondContact O-N 3.18Å; F74-I78 PolarHBondContact O-N 2.98Å
75M90.8Very high86Confident1 Ų155.9 Ų55.91%0.00529%0.292CS..Hα-helixtrans-57-41-177.4-167.767.2-147.100112.1V16 F30 T34 V36 I39 R77 I78 I79 V115V16-M75 HydrophobicContact CB-CE 3.98Å; V16-M75 HydrophobicContact CG2-CE 3.46Å; V16-M75 VanDerWaalsContact CG2-CE 3.46Å; F30-M75 HydrophobicContact CB-CB 4.17Å; F30-M75 HydrophobicContact CB-CG 4.16Å; F30-M75 HydrophobicContact CD1-CG 3.96Å; F30-M75 HydrophobicContact CD2-CB 3.96Å; F30-M75 HydrophobicContact CD2-CG 3.97Å; F30-M75 HydrophobicContact CE1-CG 4.31Å; F30-M75 HydrophobicContact CE2-CG 4.33Å; F30-M75 HydrophobicContact CG-CB 4.06Å; F30-M75 HydrophobicContact CG-CG 3.77Å; F30-M75 HydrophobicContact CZ-CG 4.48Å; T34-M75 PolarHBondContact O-N 3.26Å; V36-M75 HydrophobicContact CG2-SD 4.26Å; I39-M75 HydrophobicContact CD1-CB 3.91Å; I39-M75 HydrophobicContact CD1-CG 3.57Å; I39-M75 HydrophobicContact CD1-SD 3.55Å; I39-M75 VanDerWaalsContact CD1-SD 3.55Å; M75-R77 VanDerWaalsContact C-N 3.28Å; M75-R77 PolarHBondContact O-N 2.93Å; M75-I78 HydrophobicContact CE-CG2 4.48Å; M75-I78 WeakPolarHBondContact O-CB 3.29Å; M75-I78 PolarHBondContact O-N 3.29Å; M75-I78 VanDerWaalsContact O-N 3.15Å; M75-I79 HydrophobicContact CE-CD1 3.33Å; M75-I79 HydrophobicContact CE-CG1 4.06Å; M75-I79 WeakPolarHBondContact O-CG1 3.33Å; M75-I79 PolarHBondContact O-N 2.76Å; M75-V115 HydrophobicContact CE-CG1 4.06Å
76H88Confident84.3Confident51 Ų5159.4 Ų59.424%0.23631%0.308CS..Hα-helixtrans-61.6-32.3178.977.8-88.9000113.4F30 N32 F74 T80F30-H76 HydrophobicContact CE2-CB 4.2Å; N32-H76 PolarHBondContact O-CE1 3.37Å; N32-H76 PolarHBondContact O-ND1 3.29Å; F74-H76 VanDerWaalsContact C-N 3.27Å; F74-H76 VanDerWaalsContact CB-CE1 3.43Å; F74-H76 WeakPolarHBondContact CB-CE1 3.48Å; F74-H76 WeakPolarHBondContact CB-ND1 2.94Å; F74-H76 AromaticContact CG-CE1 3.84Å; F74-H76 PolarHBondContact O-N 2.9Å; H76-T80 WeakPolarHBondContact O-CB 3.47Å; H76-T80 PolarHBondContact O-N 2.94Å; H76-T80 PolarHBondContact O-OG1 2.75Å
77R88.2Confident81.9Confident122 Ų12264.4 Ų64.446%0.4634%0.339SS..Hα-helixtrans-70.3-43.2175.4-68.6-175.5173.3-171.8-3.8110.6F74 M75 I79 T80 N81F74-R77 HydrophobicContact CB-CG 4.19Å; F74-R77 WeakPolarHBondContact O-CB 3.39Å; F74-R77 PolarHBondContact O-N 3.18Å; M75-R77 VanDerWaalsContact C-N 3.28Å; M75-R77 PolarHBondContact O-N 2.93Å; R77-I79 VanDerWaalsContact C-N 3.31Å; R77-I79 PolarHBondContact O-N 3.04Å; R77-T80 PolarHBondContact O-N 3.02Å; R77-N81 VanDerWaalsContact O-CB 3.31Å; R77-N81 WeakPolarHBondContact O-CB 3.37Å; R77-N81 PolarHBondContact O-N 2.87Å; R77-N81 PolarHBondContact O-ND2 2.86Å
78I88.2Confident79.6Confident9 Ų969.9 Ų69.95%0.04636%0.363CS..Hα-helixtrans-59.2-44.3175.5-58.9-57000110.6V36 M59 I69 E73 F74 M75 T80 N81 Y82 F83V36-I78 HydrophobicContact CG2-CG1 4.07Å; M59-I78 HydrophobicContact CE-CG2 3.56Å; I69-I78 HydrophobicContact CD1-CG2 4.19Å; I69-I78 HydrophobicContact CG2-CD1 3.69Å; I69-I78 HydrophobicContact CG2-CG1 3.76Å; I69-I78 HydrophobicContact CG2-CG2 4.35Å; E73-I78 HydrophobicContact CB-CD1 3.94Å; E73-I78 HydrophobicContact CB-CG1 4.24Å; E73-I78 HydrophobicContact CG-CD1 4.36Å; F74-I78 PolarHBondContact O-N 2.98Å; M75-I78 HydrophobicContact CE-CG2 4.48Å; M75-I78 WeakPolarHBondContact O-CB 3.29Å; M75-I78 PolarHBondContact O-N 3.29Å; M75-I78 VanDerWaalsContact O-N 3.15Å; I78-T80 PolarHBondContact O-N 3.47Å; I78-N81 PolarHBondContact O-N 2.83Å; I78-Y82 HydrophobicContact CD1-CD2 4.39Å; I78-Y82 HydrophobicContact CD1-CE2 3.99Å; I78-Y82 HydrophobicContact CG2-CD2 3.96Å; I78-Y82 WeakPolarHBondContact O-CB 3.32Å; I78-Y82 WeakPolarHBondContact O-CD2 3.45Å; I78-Y82 PolarHBondContact O-N 2.91Å; I78-F83 HydrophobicContact CG2-CE2 4.32Å
79I86Confident76.4Confident13 Ų1377.3 Ų77.37%0.06740%0.395CS..Iπ-helixtrans-60.7-47.7176.2-59.6-38.6000111.5F30 M75 R77 N81 F83 V84 P113F30-I79 HydrophobicContact CE1-CG1 4.3Å; F30-I79 HydrophobicContact CE2-CG1 4.34Å; F30-I79 HydrophobicContact CZ-CG1 3.71Å; M75-I79 HydrophobicContact CE-CD1 3.33Å; M75-I79 HydrophobicContact CE-CG1 4.06Å; M75-I79 WeakPolarHBondContact O-CG1 3.33Å; M75-I79 PolarHBondContact O-N 2.76Å; R77-I79 VanDerWaalsContact C-N 3.31Å; R77-I79 PolarHBondContact O-N 3.04Å; I79-N81 PolarHBondContact O-N 2.86Å; I79-F83 HydrophobicContact CD1-CD2 3.67Å; I79-F83 HydrophobicContact CD1-CE2 3.94Å; I79-F83 HydrophobicContact CD1-CG 4.34Å; I79-F83 HydrophobicContact CG2-CB 4.26Å; I79-F83 CarbonylContact O-C 3.58Å; I79-F83 WeakPolarHBondContact O-CA 3.46Å; I79-F83 WeakPolarHBondContact O-CB 3.32Å; I79-F83 PolarHBondContact O-N 2.78Å; I79-V84 PolarHBondContact O-N 2.94Å; I79-P113 HydrophobicContact CD1-CB 3.18Å; I79-P113 HydrophobicContact CD1-CG 3.37Å; I79-P113 HydrophobicContact CG1-CB 4.2Å; I79-P113 HydrophobicContact CG1-CG 3.94Å; I79-P113 HydrophobicContact CG2-CG 4.37Å
80T83.5Confident73.4Confident72 Ų7282.9 Ų82.944%0.44243%0.434SS..Iπ-helixtrans-65-40.7-177.7-55.70000112.2H76 R77 I78H76-T80 WeakPolarHBondContact O-CB 3.47Å; H76-T80 PolarHBondContact O-N 2.94Å; H76-T80 PolarHBondContact O-OG1 2.75Å; R77-T80 PolarHBondContact O-N 3.02Å; I78-T80 PolarHBondContact O-N 3.47Å
81N81.9Confident70.6Confident108 Ų10882.9 Ų82.958%0.57844%0.444SS*.Iπ-helixtrans-79.7-33.8-174.2-68.7-10.2000113.5R77 I78 I79R77-N81 VanDerWaalsContact O-CB 3.31Å; R77-N81 WeakPolarHBondContact O-CB 3.37Å; R77-N81 PolarHBondContact O-N 2.87Å; R77-N81 PolarHBondContact O-ND2 2.86Å; I78-N81 PolarHBondContact O-N 2.83Å; I79-N81 PolarHBondContact O-N 2.86Å
82Y78.4Confident67.7Low73 Ų7386.1 Ų86.129%0.28646%0.463SS..Iπ-helixtrans-114-24.8-170.6-63.1-81.9000114.4M59 L67 I78 L103M59-Y82 HydrophobicContact CE-CD1 4.15Å; M59-Y82 HydrophobicContact CE-CD2 3.63Å; M59-Y82 HydrophobicContact CE-CE2 4.13Å; M59-Y82 HydrophobicContact CE-CG 3.63Å; M59-Y82 HydrophobicContact SD-CD1 3.47Å; M59-Y82 WeakPolarHBondContact SD-CD1 3.4Å; M59-Y82 HydrophobicContact SD-CD2 4.08Å; M59-Y82 HydrophobicContact SD-CE1 4.07Å; M59-Y82 HydrophobicContact SD-CG 3.47Å; L67-Y82 HydrophobicContact CD2-CD1 4.32Å; L67-Y82 HydrophobicContact CD2-CE1 3.57Å; I78-Y82 HydrophobicContact CD1-CD2 4.39Å; I78-Y82 HydrophobicContact CD1-CE2 3.99Å; I78-Y82 HydrophobicContact CG2-CD2 3.96Å; I78-Y82 WeakPolarHBondContact O-CB 3.32Å; I78-Y82 WeakPolarHBondContact O-CD2 3.45Å; I78-Y82 PolarHBondContact O-N 2.91Å; Y82-L103 HydrophobicContact CD1-CD2 3.55Å; Y82-L103 HydrophobicContact CE1-CD2 3.47Å; Y82-L103 VanDerWaalsContact CE1-CD2 3.47Å
83F75.7Confident64.8Low14 Ų1489.2 Ų89.26%0.06147%0.474CS..Iπ-helixtrans-110.7-12.5-174.2-66-88.9000113.2M59 I78 I79 L108 P113 T114 V115M59-F83 HydrophobicContact CB-CZ 4.43Å; M59-F83 HydrophobicContact CE-CE2 4.21Å; I78-F83 HydrophobicContact CG2-CE2 4.32Å; I79-F83 HydrophobicContact CD1-CD2 3.67Å; I79-F83 HydrophobicContact CD1-CE2 3.94Å; I79-F83 HydrophobicContact CD1-CG 4.34Å; I79-F83 HydrophobicContact CG2-CB 4.26Å; I79-F83 CarbonylContact O-C 3.58Å; I79-F83 WeakPolarHBondContact O-CA 3.46Å; I79-F83 WeakPolarHBondContact O-CB 3.32Å; I79-F83 PolarHBondContact O-N 2.78Å; F83-L108 HydrophobicContact CB-CD1 3.86Å; F83-L108 HydrophobicContact CD1-CD1 3.91Å; F83-L108 HydrophobicContact CG-CD1 4.38Å; F83-L108 WeakPolarHBondContact O-CD1 3.47Å; F83-L108 WeakPolarHBondContact O-CD2 3.41Å; F83-P113 HydrophobicContact CB-CB 4.28Å; F83-P113 HydrophobicContact CD1-CB 3.72Å; F83-P113 HydrophobicContact CD2-CB 3.98Å; F83-P113 HydrophobicContact CE1-CB 3.96Å; F83-P113 HydrophobicContact CE2-CB 4.17Å; F83-P113 HydrophobicContact CG-CB 3.72Å; F83-P113 HydrophobicContact CZ-CB 4.16Å; F83-T114 VanDerWaalsContact CZ-O 3.29Å; F83-T114 WeakPolarHBondContact CZ-O 3.22Å; F83-V115 HydrophobicContact CZ-CG1 4.36Å
84V67.8Low62.4Low56 Ų5693.1 Ų93.134%0.33950%0.495SS..SBendtrans-103.9117.5174-176.20000108.6I79 T86I79-V84 PolarHBondContact O-N 2.94Å; V84-T86 PolarHBondContact O-N 2.94Å
85P55Low59.7Low102 Ų10298 Ų9866%0.66252%0.517SS*.  trans-65103.7173.824.4-29.5000108.6
86T47.6Very low56.9Low99 Ų99106.7 Ų106.761%0.60756%0.555SS**  trans-90.8104.3168.418.50000108.3V84 Q88V84-T86 PolarHBondContact O-N 2.94Å; T86-Q88 PolarHBondContact O-N 3.48Å
87D40.4Very low54.5Low158 Ų158111.5 Ų111.585%0.84558%0.582SS**  trans-69.275159.9-81.8-28.5000108.5
88Q42.4Very low51.8Low169 Ų169111.7 Ų111.779%0.7960%0.598SS**  trans-158.7110.1169.6-110.7149.983.700112.2T86 C90T86-Q88 PolarHBondContact O-N 3.48Å; Q88-C90 PolarHBondContact O-N 3.12Å
89K27.8Very low49.3Very low213 Ų213116.1 Ų116.193%0.92662%0.621SS**  trans-49.7119.6161.2-65.4173.4178176.40108.5
90C31.4Very low46.6Very low127 Ų127121.9 Ų121.986%0.85866%0.657SS**  trans-132.2115.3163.7-133.20000110.5Q88Q88-C90 PolarHBondContact O-N 3.12Å
91S34Very low44.5Very low96 Ų96127.1 Ų127.167%0.67167%0.674SS**  trans-68.8145.5173.538.90000112.1
92T35.1Very low42.2Very low114 Ų114126 Ų12670%0.69967%0.674SS**  trans66.4123.7145.950.90000119.3
93D32.6Very low40.5Very low141 Ų141126.4 Ų126.475%0.75468%0.681SS**  trans81.792.6146.7-53.6-21.3000117
94I42.6Very low38.8Very low152 Ų152131.2 Ų131.278%0.77971%0.708SS**  166.9112.3109.3-84.7159.5000110.8
95F36.1Very low37.9Very low168 Ų168134.4 Ų134.474%0.73772%0.719SS**  trans82.694147.4-73-115.7000120.4
96F33.4Very low37.5Very low184 Ų184130.1 Ų130.181%0.80769%0.691SS**SBendtrans59.880.7143.6-59.9-81.7000119.8
97L37.2Very low37.3Very low152 Ų152128.1 Ų128.180%0.79668%0.681SS**  -166.5127.7124.4-96.2149.5000106.7I99L97-I99 PolarHBondContact O-N 2.93Å
98P29.9Very low37.8Very low125 Ų125124.5 Ų124.581%0.81266%0.661SS**  trans-77.887.9-173.432-31.4000109.5
99I37.8Very low38.2Very low102 Ų102125.3 Ų125.352%0.52367%0.665SS.*  trans-112.866166.8-47.5178.3000108.4L97 K101 L103L97-I99 PolarHBondContact O-N 2.93Å; I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 3.39Å; I99-L103 HydrophobicContact CD1-CD1 4.29Å; I99-L103 HydrophobicContact CG2-CD1 3.76Å
100T29.2Very low39.6Very low135 Ų135116.8 Ų116.883%0.82863%0.632SS**  trans-84.875.2161.656.70000108.3
101K39Very low41.6Very low181 Ų181115.3 Ų115.379%0.78762%0.623SS**SBendtrans-170.5108.5161.3-102.7163.9-169-173.10106.4I99 L103I99-K101 VanDerWaalsContact C-N 3.25Å; I99-K101 PolarHBondContact O-N 3.39Å; K101-L103 PolarHBondContact O-N 2.71Å
102S33.7Very low43.8Very low84 Ų84114.8 Ų114.859%0.58761%0.607SS**  trans-12109.1179.3620000115.3N104S102-N104 PolarHBondContact O-N 3.19Å; S102-N104 PolarHBondContact OG-ND2 3.18Å
103L42.3Very low46.3Very low83 Ų83109.5 Ų109.544%0.43557%0.574SS.*  trans-73.568.2167.2-136.286.6000108.5Y82 I99 K101 H105Y82-L103 HydrophobicContact CD1-CD2 3.55Å; Y82-L103 HydrophobicContact CE1-CD2 3.47Å; Y82-L103 VanDerWaalsContact CE1-CD2 3.47Å; I99-L103 HydrophobicContact CD1-CD1 4.29Å; I99-L103 HydrophobicContact CG2-CD1 3.76Å; K101-L103 PolarHBondContact O-N 2.71Å; L103-H105 PolarHBondContact O-N 3.35Å
104N39.1Very low49.1Very low115 Ų115103.6 Ų103.662%0.61554%0.544SS*.  trans-80.5100.4177.6-75.6-14.4000108.9N62 S102N62-N104 PolarHBondContact OD1-O 2.99Å; S102-N104 PolarHBondContact O-N 3.19Å; S102-N104 PolarHBondContact OG-ND2 3.18Å
105H48.9Very low51.5Low123 Ų12396.4 Ų96.457%0.56951%0.507SS*.  trans79.486.6146.2-154.1-90.1000117.2L103 S107L103-H105 PolarHBondContact O-N 3.35Å; H105-S107 PolarHBondContact O-N 3.11Å
106C46.9Very low54.3Low11 Ų1191.5 Ų91.57%0.07448%0.484CS..  trans-64.7114.9149.4-66.10000107.1L60 L108L60-C106 PolarHBondContact O-SG 2.83Å; C106-L108 PolarHBondContact O-N 2.76Å
107S44Very low57.4Low57 Ų5782.8 Ų82.840%0.39945%0.446SS..  trans-58.9111.5-171.660.70000112.5H105 Q109H105-S107 PolarHBondContact O-N 3.11Å; S107-Q109 PolarHBondContact O-N 3Å
108L50.5Low60.2Low83 Ų8376.3 Ų76.344%0.43541%0.411SS..  trans-72.568.7160-94.175.3000109F83 C106F83-L108 HydrophobicContact CB-CD1 3.86Å; F83-L108 HydrophobicContact CD1-CD1 3.91Å; F83-L108 HydrophobicContact CG-CD1 4.38Å; F83-L108 WeakPolarHBondContact O-CD1 3.47Å; F83-L108 WeakPolarHBondContact O-CD2 3.41Å; C106-L108 PolarHBondContact O-N 2.76Å
109Q51.1Low63.3Low185 Ų18570.4 Ų70.486%0.86437%0.372SS*.  trans-80.9-7.7163.6-79.2-178.2-0.500111.7S107S107-Q109 PolarHBondContact O-N 3Å
110S57.9Low66.1Low34 Ų3469.1 Ų69.124%0.23836%0.361CS..SBendtrans-119.4144.9-177.3-162.70000111.2Y112S110-Y112 PolarHBondContact O-N 2.9Å
111S72.2Confident69.2Low96 Ų9668.1 Ų68.167%0.67135%0.345SS*.SBendtrans-59.7-11175.3-172.90000113.5
112Y81.1Confident71.8Confident85 Ų8564.8 Ų64.833%0.33333%0.328SS..SBendtrans-127.9142.5-178.4-57.7-80.6000110.1I13 N15 Y27 S110 T114I13-Y112 HydrophobicContact CG2-CD1 4.42Å; N15-Y112 HydrophobicContact CB-CD1 3.8Å; N15-Y112 HydrophobicContact CB-CE1 3.94Å; Y27-Y112 HydrophobicContact CD1-CD2 4.29Å; Y27-Y112 HydrophobicContact CD1-CG 4.36Å; Y27-Y112 AromaticContact CE1-CD2 3.66Å; Y27-Y112 HydrophobicContact CE1-CD2 3.66Å; Y27-Y112 HydrophobicContact CE1-CE2 4.06Å; Y27-Y112 HydrophobicContact CE1-CG 4.08Å; S110-Y112 PolarHBondContact O-N 2.9Å; Y112-T114 PolarHBondContact O-N 3.29Å; Y112-T114 PolarHBondContact O-OG1 3.01Å
113P87.3Confident74.7Confident3 Ų363.4 Ų63.42%0.01931%0.314CS..  trans-58.7131170.126.2-34.3000109.1I13 N15 V16 K17 I79 F83I13-P113 HydrophobicContact CG2-CG 4.06Å; N15-P113 WeakPolarHBondContact O-CD 3.41Å; V16-P113 HydrophobicContact CG2-CG 4.47Å; V16-P113 WeakPolarHBondContact CG2-O 3.28Å; K17-P113 PolarHBondContact N-O 2.86Å; I79-P113 HydrophobicContact CD1-CB 3.18Å; I79-P113 HydrophobicContact CD1-CG 3.37Å; I79-P113 HydrophobicContact CG1-CB 4.2Å; I79-P113 HydrophobicContact CG1-CG 3.94Å; I79-P113 HydrophobicContact CG2-CG 4.37Å; F83-P113 HydrophobicContact CB-CB 4.28Å; F83-P113 HydrophobicContact CD1-CB 3.72Å; F83-P113 HydrophobicContact CD2-CB 3.98Å; F83-P113 HydrophobicContact CE1-CB 3.96Å; F83-P113 HydrophobicContact CE2-CB 4.17Å; F83-P113 HydrophobicContact CG-CB 3.72Å; F83-P113 HydrophobicContact CZ-CB 4.16Å
114T90.4Very high77.1Confident18 Ų1863 Ų6311%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-112.4121.4-171.6-56.70000109.8K17 V19 F83 Y112 Y116K17-T114 VanDerWaalsContact CE-CG2 3.49Å; K17-T114 WeakPolarHBondContact CE-OG1 3.39Å; K17-T114 CarbonylContact O-C 3.56Å; K17-T114 WeakPolarHBondContact O-CA 3.41Å; V19-T114 HydrophobicContact CG2-CG2 3.72Å; F83-T114 VanDerWaalsContact CZ-O 3.29Å; F83-T114 WeakPolarHBondContact CZ-O 3.22Å; Y112-T114 PolarHBondContact O-N 3.29Å; Y112-T114 PolarHBondContact O-OG1 3.01Å; T114-Y116 HydrophobicContact CG2-CD2 4.38Å; T114-Y116 HydrophobicContact CG2-CE2 3.71Å
115V94.2Very high79.5Confident1 Ų162.2 Ų62.21%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-116.2159.8170.2-57.20000109.4V16 K17 V18 V19 L57 A58 I69 M75 F83V16-V115 HydrophobicContact CG2-CG1 4.08Å; V16-V115 HydrophobicContact CG2-CG2 3.8Å; K17-V115 PolarHBondContact O-N 2.95Å; V18-V115 CarbonylContact C-O 3.51Å; V18-V115 WeakPolarHBondContact CA-O 3.28Å; V18-V115 HydrophobicContact CB-CG2 4.3Å; V18-V115 HydrophobicContact CG1-CG2 4.44Å; V18-V115 HydrophobicContact CG2-CG2 3.69Å; V19-V115 PolarHBondContact N-O 3.1Å; L57-V115 HydrophobicContact CD2-CG2 4.36Å; A58-V115 CarbonylContact O-C 3.55Å; A58-V115 WeakPolarHBondContact O-CA 3.08Å; I69-V115 HydrophobicContact CD1-CB 4.3Å; I69-V115 HydrophobicContact CD1-CG1 3.68Å; M75-V115 HydrophobicContact CE-CG1 4.06Å; F83-V115 HydrophobicContact CZ-CG1 4.36Å
116Y95.4Very high81.5Confident65 Ų6563.6 Ų63.626%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-125128.6-172.5-64.8-101.4000109V19 L57 A58 L60 W66 T114 R118V19-Y116 HydrophobicContact CB-CD1 3.62Å; V19-Y116 HydrophobicContact CB-CE1 3.82Å; V19-Y116 HydrophobicContact CB-CG 4.34Å; V19-Y116 HydrophobicContact CG1-CD1 3.96Å; V19-Y116 HydrophobicContact CG1-CE1 4.02Å; V19-Y116 HydrophobicContact CG2-CD1 4.24Å; V19-Y116 HydrophobicContact CG2-CE1 3.98Å; V19-Y116 WeakPolarHBondContact O-CA 3.48Å; L57-Y116 WeakPolarHBondContact CA-O 3.25Å; A58-Y116 PolarHBondContact N-O 3.38Å; A58-Y116 PolarHBondContact O-N 3.22Å; L60-Y116 HydrophobicContact CB-CE2 4.45Å; W66-Y116 HydrophobicContact CE3-CD2 4.4Å; W66-Y116 HydrophobicContact CE3-CG 4.41Å; W66-Y116 AromaticContact CH2-CD1 3.94Å; W66-Y116 HydrophobicContact CH2-CD1 3.94Å; W66-Y116 HydrophobicContact CH2-CD2 4.22Å; W66-Y116 HydrophobicContact CH2-CE1 4.14Å; W66-Y116 HydrophobicContact CH2-CE2 4.39Å; W66-Y116 AromaticContact CH2-CG 3.99Å; W66-Y116 HydrophobicContact CH2-CG 3.99Å; W66-Y116 AromaticContact CZ3-CD1 3.92Å; W66-Y116 HydrophobicContact CZ3-CD1 3.92Å; W66-Y116 AromaticContact CZ3-CD2 3.46Å; W66-Y116 HydrophobicContact CZ3-CD2 3.46Å; W66-Y116 VanDerWaalsContact CZ3-CD2 3.46Å; W66-Y116 HydrophobicContact CZ3-CE1 4.33Å; W66-Y116 AromaticContact CZ3-CE2 3.91Å; W66-Y116 HydrophobicContact CZ3-CE2 3.91Å; W66-Y116 AromaticContact CZ3-CG 3.46Å; W66-Y116 HydrophobicContact CZ3-CG 3.46Å; W66-Y116 VanDerWaalsContact CZ3-CG 3.46Å; T114-Y116 HydrophobicContact CG2-CD2 4.38Å; T114-Y116 HydrophobicContact CG2-CE2 3.71Å; Y116-R118 PolarHBondContact O-N 3.48Å
117F96.9Very high83.7Confident1 Ų166 Ų660%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-75.7121.4169-178-92.2000108.9V18 V19 L20 L21 F40 V43 M47 L49 F55 L57 I136V18-F117 HydrophobicContact CG1-CB 4.35Å; V19-F117 PolarHBondContact O-N 3.11Å; L20-F117 HydrophobicContact CD2-CB 3.89Å; L20-F117 HydrophobicContact CD2-CG 4.35Å; L21-F117 HydrophobicContact CD1-CD1 4.04Å; L21-F117 HydrophobicContact CD1-CE1 4.22Å; L21-F117 HydrophobicContact CG-CD1 4.23Å; L21-F117 WeakPolarHBondContact CG-O 3.45Å; F40-F117 HydrophobicContact CD2-CD2 4.29Å; F40-F117 HydrophobicContact CD2-CE2 4.08Å; F40-F117 HydrophobicContact CE2-CD2 4.14Å; F40-F117 AromaticContact CE2-CE2 3.57Å; F40-F117 HydrophobicContact CE2-CE2 3.57Å; F40-F117 HydrophobicContact CZ-CE2 4.45Å; V43-F117 HydrophobicContact CG1-CB 4.43Å; V43-F117 HydrophobicContact CG1-CD2 3.56Å; V43-F117 HydrophobicContact CG1-CE2 3.99Å; V43-F117 HydrophobicContact CG1-CG 4.1Å; M47-F117 HydrophobicContact CE-CE1 4.38Å; M47-F117 HydrophobicContact SD-CE1 4.45Å; L49-F117 HydrophobicContact CD1-CE1 4.34Å; L49-F117 HydrophobicContact CD1-CZ 3.81Å; F55-F117 HydrophobicContact CB-CE1 4.15Å; F55-F117 HydrophobicContact CB-CE2 3.77Å; F55-F117 HydrophobicContact CB-CZ 3.46Å; F55-F117 VanDerWaalsContact CB-CZ 3.46Å; F55-F117 AromaticContact CD1-CE1 3.53Å; F55-F117 HydrophobicContact CD1-CE1 3.53Å; F55-F117 AromaticContact CD1-CZ 3.64Å; F55-F117 HydrophobicContact CD1-CZ 3.64Å; F55-F117 HydrophobicContact CD2-CE1 4.4Å; F55-F117 AromaticContact CD2-CZ 3.78Å; F55-F117 HydrophobicContact CD2-CZ 3.78Å; F55-F117 AromaticContact CE1-CE1 3.96Å; F55-F117 HydrophobicContact CE1-CE1 3.96Å; F55-F117 HydrophobicContact CE1-CZ 4.3Å; F55-F117 HydrophobicContact CE2-CZ 4.4Å; F55-F117 AromaticContact CG-CE1 3.78Å; F55-F117 HydrophobicContact CG-CE1 3.78Å; F55-F117 HydrophobicContact CG-CE2 4.18Å; F55-F117 AromaticContact CG-CZ 3.35Å; F55-F117 HydrophobicContact CG-CZ 3.35Å; L57-F117 HydrophobicContact CD2-CB 4.37Å; L57-F117 HydrophobicContact CD2-CD2 4.39Å; F117-I136 HydrophobicContact CE1-CG2 3.99Å
118R96.3Very high86.1Confident16 Ų1663.5 Ų63.56%0.0632%0.316CS..EExtended strand (participates in β ladder)trans-141.7160.4-173.9-63.5-166.674.196.7-5.8112F55 G56 A58 W66 F68 Y116 R120 N144F55-R118 CarbonylContact C-O 3.56Å; F55-R118 VanDerWaalsContact CA-O 3.3Å; F55-R118 WeakPolarHBondContact CA-O 3.29Å; G56-R118 PolarHBondContact N-O 3.47Å; G56-R118 PolarHBondContact O-N 3.47Å; A58-R118 HydrophobicContact CB-CG 4.45Å; W66-R118 VanDerWaalsContact NE1-NH2 3.17Å; F68-R118 HydrophobicContact CE1-CB 4.02Å; F68-R118 HydrophobicContact CZ-CB 3.99Å; Y116-R118 PolarHBondContact O-N 3.48Å; R118-R120 PolarHBondContact O-N 3.2Å; R118-N144 PolarHBondContact NH2-OD1 3.43Å
119V96Very high88.1Confident1 Ų165.8 Ų65.81%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-72.7118.9166.9178.20000108.7I54 F55 F68 F121 Y122 Y137 Q140I54-V119 CarbonylContact O-C 3.49Å; F55-V119 HydrophobicContact CD1-CG2 3.89Å; F55-V119 HydrophobicContact CE1-CG2 3.67Å; F68-V119 VanDerWaalsContact CZ-O 3.28Å; F68-V119 WeakPolarHBondContact CZ-O 3.21Å; V119-F121 WeakPolarHBondContact CG1-O 3.46Å; V119-Y122 HydrophobicContact CB-CE1 4.19Å; V119-Y122 HydrophobicContact CG1-CD1 4.03Å; V119-Y122 HydrophobicContact CG1-CD2 4.28Å; V119-Y122 HydrophobicContact CG1-CE1 3.95Å; V119-Y122 HydrophobicContact CG1-CE2 4.19Å; V119-Y122 HydrophobicContact CG1-CG 4.19Å; V119-Y137 HydrophobicContact CB-CD2 4.48Å; V119-Y137 HydrophobicContact CB-CE2 4.49Å; V119-Y137 HydrophobicContact CG1-CD2 3.93Å; V119-Y137 HydrophobicContact CG1-CE2 3.56Å; V119-Y137 HydrophobicContact CG2-CD2 3.67Å; V119-Y137 HydrophobicContact CG2-CE2 4.14Å; V119-Y137 HydrophobicContact CG2-CG 4.49Å; V119-Q140 HydrophobicContact CB-CB 4.45Å; V119-Q140 HydrophobicContact CB-CG 3.84Å; V119-Q140 HydrophobicContact CG2-CB 3.68Å; V119-Q140 HydrophobicContact CG2-CG 3.62Å; V119-Q140 VanDerWaalsContact N-OE1 3.11Å
120R95.1Very high90.1Very high75 Ų7559 Ų5928%0.28330%0.297SS..SBendtrans-85.8-42.2175.5-175173.2173.9151.4-3.8111.5I54 F68 E70 R118I54-R120 PolarHBondContact O-N 3.24Å; F68-R120 HydrophobicContact CD1-CB 3.8Å; F68-R120 HydrophobicContact CD1-CG 3.79Å; F68-R120 HydrophobicContact CD2-CG 4.29Å; F68-R120 HydrophobicContact CE1-CB 3.53Å; F68-R120 HydrophobicContact CE1-CG 3.99Å; F68-R120 HydrophobicContact CE2-CG 4.47Å; F68-R120 HydrophobicContact CG-CB 4.42Å; F68-R120 HydrophobicContact CG-CG 3.96Å; F68-R120 VanDerWaalsContact CZ-CA 3.46Å; F68-R120 HydrophobicContact CZ-CB 3.96Å; F68-R120 HydrophobicContact CZ-CG 4.35Å; E70-R120 IonicContact OE2-NH1 3.89Å; E70-R120 IonicContact OE2-NH2 2.82Å; R118-R120 PolarHBondContact O-N 3.2Å
121F94.8Very high91.6Very high113 Ų11367.5 Ų67.550%0.49632%0.324SS..SBendtrans-120.6116.2-177.2-55.3-70.8000110.5D53 I54 V119D53-F121 WeakPolarHBondContact O-CD2 3.47Å; I54-F121 PolarHBondContact O-N 2.87Å; V119-F121 WeakPolarHBondContact CG1-O 3.46Å
122Y94Very high92.5Very high111 Ų11165 Ų6544%0.43531%0.309SS..  trans-85.5119.8178-68.9-91.5000109.9V119 Y137 Q140 L141 N144V119-Y122 HydrophobicContact CB-CE1 4.19Å; V119-Y122 HydrophobicContact CG1-CD1 4.03Å; V119-Y122 HydrophobicContact CG1-CD2 4.28Å; V119-Y122 HydrophobicContact CG1-CE1 3.95Å; V119-Y122 HydrophobicContact CG1-CE2 4.19Å; V119-Y122 HydrophobicContact CG1-CG 4.19Å; Y122-Y137 VanDerWaalsContact CA-OH 3.29Å; Y122-Y137 WeakPolarHBondContact CA-OH 3.42Å; Y122-Y137 WeakPolarHBondContact CB-OH 3.25Å; Y122-Y137 HydrophobicContact CD1-CE2 4.15Å; Y122-Y137 AromaticContact CD1-CZ 3.89Å; Y122-Y137 WeakPolarHBondContact CD1-OH 3.43Å; Y122-Q140 HydrophobicContact CE1-CG 4.24Å; Y122-Q140 WeakPolarHBondContact OH-CG 3.23Å; Y122-L141 HydrophobicContact CD1-CD2 3.98Å; Y122-L141 HydrophobicContact CE1-CD2 3.73Å; Y122-N144 PolarHBondContact OH-ND2 2.91Å
123I94.7Very high93.1Very high56 Ų5661 Ų6129%0.28729%0.293SS..  trans-120.8158.2177.262.8174.6000110.2I54 I125 C127 I128 Y137I54-I123 HydrophobicContact CG2-CD1 3.72Å; I54-I123 HydrophobicContact CG2-CG1 4.23Å; I123-I125 PolarHBondContact O-N 2.99Å; I123-C127 HydrophobicContact CD1-CB 3.9Å; I123-C127 HydrophobicContact CG1-CB 4.42Å; I123-I128 HydrophobicContact CD1-CG1 3.8Å; I123-I128 HydrophobicContact CG1-CD1 4.3Å; I123-I128 HydrophobicContact CG1-CG1 4.05Å; I123-Y137 PolarHBondContact N-OH 3.41Å; I123-Y137 PolarHBondContact O-OH 3.24Å
124P93.3Very high93.4Very high73 Ų7363.8 Ų63.847%0.47431%0.306SS..  trans-56.9138.6172.1-24.334.9000111.6H126 C127P124-H126 WeakPolarHBondContact CB-CE1 3.45Å; P124-H126 PolarHBondContact O-N 3.43Å; P124-H126 VanDerWaalsContact O-N 3.12Å; P124-C127 VanDerWaalsContact O-CB 3.28Å; P124-C127 WeakPolarHBondContact O-CB 3.4Å; P124-C127 PolarHBondContact O-N 3.16Å
125I88.6Confident93.5Very high99 Ų9966.6 Ų66.651%0.50832%0.318SS..G310 helixtrans-59.3-29.9-173.4-165.5166.3000113.5I123 C127 I128 Q134I123-I125 PolarHBondContact O-N 2.99Å; I125-C127 PolarHBondContact O-N 3.41Å; I125-I128 PolarHBondContact O-N 2.91Å; I125-I128 VanDerWaalsContact O-N 3.11Å; I125-Q134 HydrophobicContact CG1-CG 4.41Å
126H90.4Very high93.4Very high152 Ų15267.3 Ų67.370%0.70432%0.321SS*.G310 helixtrans-70.1-9.4177.761.2-99.8000113.7P124P124-H126 WeakPolarHBondContact CB-CE1 3.45Å; P124-H126 PolarHBondContact O-N 3.43Å; P124-H126 VanDerWaalsContact O-N 3.12Å
127C93.8Very high93.4Very high62 Ų6264.8 Ų64.842%0.41931%0.311SS..G310 helixtrans-86.4-10.8172.6-59.70000112.9I123 P124 I125I123-C127 HydrophobicContact CD1-CB 3.9Å; I123-C127 HydrophobicContact CG1-CB 4.42Å; P124-C127 VanDerWaalsContact O-CB 3.28Å; P124-C127 WeakPolarHBondContact O-CB 3.4Å; P124-C127 PolarHBondContact O-N 3.16Å; I125-C127 PolarHBondContact O-N 3.41Å
128I93.7Very high93.2Very high4 Ų467 Ų672%0.02132%0.32CS..  trans-97.7120.1178.3-56.4172.4000107.4E51 I54 I123 I125 T133 Q134 Y137E51-I128 VanDerWaalsContact OE2-CG2 3.25Å; E51-I128 WeakPolarHBondContact OE2-CG2 3.3Å; I54-I128 HydrophobicContact CD1-CD1 4.06Å; I54-I128 HydrophobicContact CD1-CG1 4.45Å; I123-I128 HydrophobicContact CD1-CG1 3.8Å; I123-I128 HydrophobicContact CG1-CD1 4.3Å; I123-I128 HydrophobicContact CG1-CG1 4.05Å; I125-I128 PolarHBondContact O-N 2.91Å; I125-I128 VanDerWaalsContact O-N 3.11Å; I128-T133 HydrophobicContact CG2-CG2 3.42Å; I128-T133 VanDerWaalsContact CG2-CG2 3.42Å; I128-Q134 HydrophobicContact CB-CG 3.89Å; I128-Q134 HydrophobicContact CG2-CB 4.46Å; I128-Q134 HydrophobicContact CG2-CG 3.58Å; I128-Q134 PolarHBondContact O-NE2 2.92Å; I128-Y137 HydrophobicContact CD1-CD1 4.02Å; I128-Y137 HydrophobicContact CD1-CD2 3.84Å; I128-Y137 HydrophobicContact CD1-CE1 4.41Å; I128-Y137 HydrophobicContact CD1-CE2 4.26Å; I128-Y137 HydrophobicContact CD1-CG 3.71Å
129N93.1Very high93.1Very high132 Ų13266.7 Ų66.771%0.70632%0.319SS*.  trans-91.3-33.6-176.2-59.4-72.2000112.3E51E51-N129 PolarHBondContact OE1-N 2.87Å; E51-N129 PolarHBondContact OE1-ND2 2.96Å; E51-N129 PolarHBondContact OE2-N 3.4Å
130E92.2Very high93Very high41 Ų4166.6 Ų66.619%0.19232%0.319CS..  trans-81.4121-173.5-174.3-176.7-178.400110.9Q50 E51 A132 T133 Q134Q50-E130 WeakPolarHBondContact CB-OE2 3.47Å; Q50-E130 PolarHBondContact N-OE2 3.4Å; E51-E130 PolarHBondContact N-OE2 2.94Å; E51-E130 VanDerWaalsContact OE2-CB 3.23Å; E51-E130 WeakPolarHBondContact OE2-CB 3.47Å; E51-E130 PolarHBondContact OE2-N 3.46Å; E130-A132 HydrophobicContact CG-CB 4.08Å; E130-A132 PolarHBondContact O-N 3.23Å; E130-T133 WeakPolarHBondContact O-CB 3.04Å; E130-T133 PolarHBondContact O-N 2.93Å; E130-T133 PolarHBondContact OE2-OG1 2.86Å; E130-Q134 WeakPolarHBondContact O-CG 3.38Å; E130-Q134 PolarHBondContact O-N 3.44Å
131R91.1Very high92.8Very high214 Ų21466.7 Ų66.781%0.80833%0.325SS*.Hα-helixtrans-58.4-35.7178.6-67.4-169.5-166.5169.33.7113.1Q134 H135R131-Q134 PolarHBondContact O-N 3.38Å; R131-H135 WeakPolarHBondContact O-CB 3.38Å; R131-H135 PolarHBondContact O-N 3.05Å
132A91Very high92.6Very high44 Ų4463.6 Ų63.636%0.36431%0.31SS..Hα-helixtrans-62.1-47.3175.700000110.5L49 E130 H135 I136L49-A132 HydrophobicContact CD2-CB 4.34Å; E130-A132 HydrophobicContact CG-CB 4.08Å; E130-A132 PolarHBondContact O-N 3.23Å; A132-H135 PolarHBondContact O-N 3.14Å; A132-I136 WeakPolarHBondContact O-CG1 3.49Å; A132-I136 PolarHBondContact O-N 3.46Å
133T93.7Very high92.4Very high0 Ų060.4 Ų60.40%030%0.298CS..Hα-helixtrans-61.7-44.3175.6-60.50000112E51 I54 F55 I128 E130 H135 I136 Y137E51-T133 HydrophobicContact CB-CG2 3.98Å; I54-T133 HydrophobicContact CD1-CG2 3.63Å; F55-T133 HydrophobicContact CE2-CG2 3.78Å; F55-T133 HydrophobicContact CZ-CG2 3.86Å; I128-T133 HydrophobicContact CG2-CG2 3.42Å; I128-T133 VanDerWaalsContact CG2-CG2 3.42Å; E130-T133 WeakPolarHBondContact O-CB 3.04Å; E130-T133 PolarHBondContact O-N 2.93Å; E130-T133 PolarHBondContact OE2-OG1 2.86Å; T133-H135 VanDerWaalsContact C-N 3.32Å; T133-H135 PolarHBondContact O-N 3.44Å; T133-I136 PolarHBondContact O-N 3.25Å; T133-Y137 VanDerWaalsContact O-CB 3.25Å; T133-Y137 WeakPolarHBondContact O-CB 3.31Å; T133-Y137 PolarHBondContact O-N 2.95Å
134Q93.5Very high92.2Very high62 Ų6258.6 Ų58.629%0.2929%0.289SS..Hα-helixtrans-58.2-43.6175.1-69.8177.9000111.9I125 I128 E130 R131 Y137 Y138I125-Q134 HydrophobicContact CG1-CG 4.41Å; I128-Q134 HydrophobicContact CB-CG 3.89Å; I128-Q134 HydrophobicContact CG2-CB 4.46Å; I128-Q134 HydrophobicContact CG2-CG 3.58Å; I128-Q134 PolarHBondContact O-NE2 2.92Å; E130-Q134 WeakPolarHBondContact O-CG 3.38Å; E130-Q134 PolarHBondContact O-N 3.44Å; R131-Q134 PolarHBondContact O-N 3.38Å; Q134-Y137 WeakPolarHBondContact O-CB 3.43Å; Q134-Y137 PolarHBondContact O-N 2.77Å; Q134-Y138 WeakPolarHBondContact O-CB 3.47Å; Q134-Y138 PolarHBondContact O-N 3.2Å
135H91.9Very high91.9Very high77 Ų7756.2 Ų56.236%0.35627%0.272SS..Hα-helixtrans-64.8-46178.6-179.175000111.6R131 A132 T133 Y137 Y138 L139R131-H135 WeakPolarHBondContact O-CB 3.38Å; R131-H135 PolarHBondContact O-N 3.05Å; A132-H135 PolarHBondContact O-N 3.14Å; T133-H135 VanDerWaalsContact C-N 3.32Å; T133-H135 PolarHBondContact O-N 3.44Å; H135-Y137 VanDerWaalsContact C-N 3.31Å; H135-Y137 PolarHBondContact O-N 2.85Å; H135-Y138 WeakPolarHBondContact O-CB 3.33Å; H135-Y138 PolarHBondContact O-N 2.96Å; H135-L139 WeakPolarHBondContact O-CG 3.39Å; H135-L139 PolarHBondContact O-N 2.85Å
136I92.8Very high91.8Very high16 Ų1653.4 Ų53.48%0.08226%0.259CS..Hα-helixtrans-62.7-39.8176.3-63.8-56.2000111.3L21 M47 L49 F55 F117 A132 T133 L139 Q140L21-I136 HydrophobicContact CB-CG2 4.34Å; L21-I136 HydrophobicContact CD1-CG2 3.46Å; L21-I136 VanDerWaalsContact CD1-CG2 3.46Å; L21-I136 HydrophobicContact CG-CG2 4.45Å; M47-I136 HydrophobicContact CE-CD1 3.41Å; M47-I136 VanDerWaalsContact CE-CD1 3.41Å; M47-I136 HydrophobicContact CE-CG1 3.7Å; M47-I136 HydrophobicContact CE-CG2 4.13Å; L49-I136 HydrophobicContact CD2-CG1 4.32Å; F55-I136 HydrophobicContact CE1-CG2 3.69Å; F55-I136 HydrophobicContact CZ-CB 4.26Å; F55-I136 HydrophobicContact CZ-CG2 3.83Å; F117-I136 HydrophobicContact CE1-CG2 3.99Å; A132-I136 WeakPolarHBondContact O-CG1 3.49Å; A132-I136 PolarHBondContact O-N 3.46Å; T133-I136 PolarHBondContact O-N 3.25Å; I136-L139 HydrophobicContact CD1-CD1 4.02Å; I136-L139 WeakPolarHBondContact O-CB 3.39Å; I136-L139 PolarHBondContact O-N 3.22Å; I136-Q140 PolarHBondContact O-N 3.43Å
137Y94.3Very high91.5Very high12 Ų1251 Ų515%0.04725%0.251CS..Hα-helixtrans-61.6-44.1174.1-169.2-96.1000112I54 V119 Y122 I123 I128 T133 Q134 H135 L139 Q140 L141I54-Y137 HydrophobicContact CD1-CD2 4.02Å; V119-Y137 HydrophobicContact CB-CD2 4.48Å; V119-Y137 HydrophobicContact CB-CE2 4.49Å; V119-Y137 HydrophobicContact CG1-CD2 3.93Å; V119-Y137 HydrophobicContact CG1-CE2 3.56Å; V119-Y137 HydrophobicContact CG2-CD2 3.67Å; V119-Y137 HydrophobicContact CG2-CE2 4.14Å; V119-Y137 HydrophobicContact CG2-CG 4.49Å; Y122-Y137 VanDerWaalsContact CA-OH 3.29Å; Y122-Y137 WeakPolarHBondContact CA-OH 3.42Å; Y122-Y137 WeakPolarHBondContact CB-OH 3.25Å; Y122-Y137 HydrophobicContact CD1-CE2 4.15Å; Y122-Y137 AromaticContact CD1-CZ 3.89Å; Y122-Y137 WeakPolarHBondContact CD1-OH 3.43Å; I123-Y137 PolarHBondContact N-OH 3.41Å; I123-Y137 PolarHBondContact O-OH 3.24Å; I128-Y137 HydrophobicContact CD1-CD1 4.02Å; I128-Y137 HydrophobicContact CD1-CD2 3.84Å; I128-Y137 HydrophobicContact CD1-CE1 4.41Å; I128-Y137 HydrophobicContact CD1-CE2 4.26Å; I128-Y137 HydrophobicContact CD1-CG 3.71Å; T133-Y137 VanDerWaalsContact O-CB 3.25Å; T133-Y137 WeakPolarHBondContact O-CB 3.31Å; T133-Y137 PolarHBondContact O-N 2.95Å; Q134-Y137 WeakPolarHBondContact O-CB 3.43Å; Q134-Y137 PolarHBondContact O-N 2.77Å; H135-Y137 VanDerWaalsContact C-N 3.31Å; H135-Y137 PolarHBondContact O-N 2.85Å; Y137-L139 PolarHBondContact O-N 3.38Å; Y137-Q140 WeakPolarHBondContact O-CB 3.35Å; Y137-Q140 PolarHBondContact O-N 3.25Å; Y137-L141 HydrophobicContact CD1-CD1 3.88Å; Y137-L141 HydrophobicContact CD1-CG 4.35Å; Y137-L141 HydrophobicContact CE1-CD1 3.68Å; Y137-L141 HydrophobicContact CE1-CG 4.22Å; Y137-L141 PolarHBondContact O-N 3.31Å; Y137-L141 VanDerWaalsContact O-N 3.14Å
138Y93Very high91.1Very high48 Ų4853 Ų5319%0.18825%0.25CS..Hα-helixtrans-57.4-45.7172.1152.6-98.8000111.9Q134 H135 Q140 L141 R142 A164 A167 E168Q134-Y138 WeakPolarHBondContact O-CB 3.47Å; Q134-Y138 PolarHBondContact O-N 3.2Å; H135-Y138 WeakPolarHBondContact O-CB 3.33Å; H135-Y138 PolarHBondContact O-N 2.96Å; Y138-Q140 PolarHBondContact O-N 3.24Å; Y138-L141 PolarHBondContact O-N 2.99Å; Y138-R142 HydrophobicContact CE2-CB 4.21Å; Y138-R142 PolarHBondContact O-N 2.89Å; Y138-R142 WeakPolarHBondContact OH-CD 3.45Å; Y138-A164 HydrophobicContact CE2-CB 4.23Å; Y138-A164 WeakPolarHBondContact OH-CA 3.17Å; Y138-A164 WeakPolarHBondContact OH-CB 3.49Å; Y138-A164 PolarHBondContact OH-O 2.88Å; Y138-A167 HydrophobicContact CE1-CB 4.15Å; Y138-E168 HydrophobicContact CE1-CG 4.11Å; Y138-E168 WeakPolarHBondContact CE1-OE1 3.41Å; Y138-E168 PolarHBondContact OH-OE1 2.91Å
139L93.4Very high90.6Very high8 Ų855.7 Ų55.74%0.04226%0.263CS..Hα-helixtrans-57.9-38.9178.9-69.5177000111.8L21 N22 H135 I136 Y137 K143L21-L139 HydrophobicContact CB-CB 4.12Å; N22-L139 HydrophobicContact CB-CD1 4.14Å; H135-L139 WeakPolarHBondContact O-CG 3.39Å; H135-L139 PolarHBondContact O-N 2.85Å; I136-L139 HydrophobicContact CD1-CD1 4.02Å; I136-L139 WeakPolarHBondContact O-CB 3.39Å; I136-L139 PolarHBondContact O-N 3.22Å; Y137-L139 PolarHBondContact O-N 3.38Å; L139-K143 WeakPolarHBondContact O-CB 3.09Å; L139-K143 WeakPolarHBondContact O-CG 3.28Å; L139-K143 PolarHBondContact O-N 2.94Å
140Q94.1Very high90.1Very high0 Ų053.6 Ų53.60%025%0.251CS..Hα-helixtrans-62.9-46.4174.3177.469.786.800112.1L21 V119 Y122 I136 Y137 Y138 K143 N144L21-Q140 HydrophobicContact CD1-CB 3.94Å; L21-Q140 HydrophobicContact CD2-CB 3.92Å; L21-Q140 HydrophobicContact CD2-CG 4.4Å; V119-Q140 HydrophobicContact CB-CB 4.45Å; V119-Q140 HydrophobicContact CB-CG 3.84Å; V119-Q140 HydrophobicContact CG2-CB 3.68Å; V119-Q140 HydrophobicContact CG2-CG 3.62Å; V119-Q140 VanDerWaalsContact N-OE1 3.11Å; Y122-Q140 HydrophobicContact CE1-CG 4.24Å; Y122-Q140 WeakPolarHBondContact OH-CG 3.23Å; I136-Q140 PolarHBondContact O-N 3.43Å; Y137-Q140 WeakPolarHBondContact O-CB 3.35Å; Y137-Q140 PolarHBondContact O-N 3.25Å; Y138-Q140 PolarHBondContact O-N 3.24Å; Q140-K143 PolarHBondContact O-N 2.84Å; Q140-N144 PolarHBondContact NE2-OD1 3.4Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 3.24Å; Q140-N144 PolarHBondContact O-OD1 3.26Å
141L92.5Very high89.5Confident77 Ų7759.9 Ų59.940%0.40328%0.278SS..Hα-helixtrans-63.9-45.1179.2-67.2177.9000111.5Y122 Y137 Y138 K143 N144 H145Y122-L141 HydrophobicContact CD1-CD2 3.98Å; Y122-L141 HydrophobicContact CE1-CD2 3.73Å; Y137-L141 HydrophobicContact CD1-CD1 3.88Å; Y137-L141 HydrophobicContact CD1-CG 4.35Å; Y137-L141 HydrophobicContact CE1-CD1 3.68Å; Y137-L141 HydrophobicContact CE1-CG 4.22Å; Y137-L141 PolarHBondContact O-N 3.31Å; Y137-L141 VanDerWaalsContact O-N 3.14Å; Y138-L141 PolarHBondContact O-N 2.99Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.4Å; L141-N144 PolarHBondContact O-N 2.69Å; L141-H145 WeakPolarHBondContact O-CB 3.47Å; L141-H145 PolarHBondContact O-N 3.25Å
142R90.2Very high89Confident47 Ų4751.6 Ų51.618%0.17725%0.252CS..Hα-helixtrans-57.6-47.6175-174-170.671.1154.7-20.5111.1Y138 N144 H145 V146 E168Y138-R142 HydrophobicContact CE2-CB 4.21Å; Y138-R142 PolarHBondContact O-N 2.89Å; Y138-R142 WeakPolarHBondContact OH-CD 3.45Å; R142-N144 VanDerWaalsContact C-N 3.34Å; R142-N144 PolarHBondContact O-N 3.11Å; R142-H145 WeakPolarHBondContact O-CB 3.12Å; R142-H145 PolarHBondContact O-N 3.4Å; R142-V146 PolarHBondContact O-N 3.17Å; R142-V146 VanDerWaalsContact O-N 3.17Å; R142-E168 WeakPolarHBondContact CD-OE1 3.44Å; R142-E168 VanDerWaalsContact CZ-CD 3.44Å; R142-E168 IonicContact CZ-OE1 2.8Å; R142-E168 IonicContact CZ-OE2 3.31Å; R142-E168 VanDerWaalsContact CZ-OE2 3.31Å; R142-E168 IonicContact NE-OE1 3.05Å; R142-E168 PolarHBondContact NE-OE1 3.12Å; R142-E168 IonicContact NH1-OE1 2.97Å; R142-E168 PolarHBondContact NH1-OE1 3.09Å; R142-E168 IonicContact NH1-OE2 2.74Å; R142-E168 PolarHBondContact NH1-OE2 3.39Å; R142-E168 IonicContact NH2-OE1 3.2Å; R142-E168 PolarHBondContact NH2-OE1 3.47Å; R142-E168 IonicContact NH2-OE2 3.49Å; R142-E168 PolarHBondContact NH2-OE2 3.32Å
143K90Very high88.7Confident44 Ų4453.4 Ų53.419%0.19126%0.256CS..Hα-helixtrans-58.7-45.6177.1-83.2179.2159.8-176.40112L20 L21 N23 L139 Q140 L141 V146 L147L20-K143 PolarHBondContact O-NZ 2.88Å; L21-K143 VanDerWaalsContact C-NZ 3.31Å; L21-K143 HydrophobicContact CD2-CD 4.28Å; L21-K143 WeakPolarHBondContact O-CE 3.48Å; L21-K143 PolarHBondContact O-NZ 3.42Å; N23-K143 WeakPolarHBondContact OD1-CE 3.04Å; N23-K143 PolarHBondContact OD1-NZ 3.07Å; L139-K143 WeakPolarHBondContact O-CB 3.09Å; L139-K143 WeakPolarHBondContact O-CG 3.28Å; L139-K143 PolarHBondContact O-N 2.94Å; Q140-K143 PolarHBondContact O-N 2.84Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.4Å; K143-V146 PolarHBondContact O-N 2.82Å; K143-L147 WeakPolarHBondContact O-CB 3.4Å; K143-L147 PolarHBondContact O-N 3.43Å
144N89.9Confident88Confident19 Ų1954.6 Ų54.610%0.10226%0.264CS..Hα-helixtrans-65.4-40.9179.2-71-7.6000111.8R118 Y122 Q140 L141 R142 V146 L147 Y148R118-N144 PolarHBondContact NH2-OD1 3.43Å; Y122-N144 PolarHBondContact OH-ND2 2.91Å; Q140-N144 PolarHBondContact NE2-OD1 3.4Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 3.24Å; Q140-N144 PolarHBondContact O-OD1 3.26Å; L141-N144 PolarHBondContact O-N 2.69Å; R142-N144 VanDerWaalsContact C-N 3.34Å; R142-N144 PolarHBondContact O-N 3.11Å; N144-V146 VanDerWaalsContact C-N 3.33Å; N144-V146 PolarHBondContact O-N 3.47Å; N144-L147 PolarHBondContact O-N 2.83Å; N144-Y148 HydrophobicContact CB-CD2 3.83Å; N144-Y148 HydrophobicContact CB-CE2 4.04Å; N144-Y148 WeakPolarHBondContact O-CB 3.45Å; N144-Y148 VanDerWaalsContact O-CD2 3.3Å; N144-Y148 WeakPolarHBondContact O-CD2 3Å; N144-Y148 PolarHBondContact O-N 3.3Å
145H87.4Confident87.4Confident23 Ų2355.9 Ų55.911%0.10627%0.272CS..Hα-helixtrans-55.7-47.7177.3169.6-98.3000111.8L141 R142 E149 L150 Y157 Y190L141-H145 WeakPolarHBondContact O-CB 3.47Å; L141-H145 PolarHBondContact O-N 3.25Å; R142-H145 WeakPolarHBondContact O-CB 3.12Å; R142-H145 PolarHBondContact O-N 3.4Å; H145-E149 PolarHBondContact O-N 2.87Å; H145-L150 PolarHBondContact O-N 3.16Å; H145-Y157 AromaticContact CE1-CD1 3.59Å; H145-Y157 AromaticContact CE1-CE1 3.52Å; H145-Y157 AromaticContact NE2-CD1 3.4Å; H145-Y157 WeakPolarHBondContact NE2-CD1 3.4Å; H145-Y157 AromaticContact NE2-CE1 3.16Å; H145-Y157 WeakPolarHBondContact NE2-CE1 3.39Å; H145-Y190 PolarHBondContact CE1-O 3.47Å
146V85.5Confident87.2Confident39 Ų3954.9 Ų54.924%0.23627%0.272CS..Hα-helixtrans-73.1-46.5178.1-179.90000111.5R142 K143 N144 E149R142-V146 PolarHBondContact O-N 3.17Å; R142-V146 VanDerWaalsContact O-N 3.17Å; K143-V146 PolarHBondContact O-N 2.82Å; N144-V146 VanDerWaalsContact C-N 3.33Å; N144-V146 PolarHBondContact O-N 3.47Å; V146-E149 PolarHBondContact O-N 2.77Å
147L85.3Confident86.7Confident103 Ų10354.7 Ų54.754%0.53927%0.27SS..Hα-helixtrans-65.4-42.5-174.1-178.964.2000113.1K143 N144 E149K143-L147 WeakPolarHBondContact O-CB 3.4Å; K143-L147 PolarHBondContact O-N 3.43Å; N144-L147 PolarHBondContact O-N 2.83Å; L147-E149 VanDerWaalsContact C-N 3.34Å
148Y85.2Confident86.1Confident103 Ų10354.7 Ų54.740%0.40427%0.271SS..THydrogen-bonded Turntrans-946.4-177.5-60.5-61000113.3W66 N144 L150W66-Y148 VanDerWaalsContact CD1-OH 3.23Å; W66-Y148 PolarHBondContact NE1-OH 2.7Å; N144-Y148 HydrophobicContact CB-CD2 3.83Å; N144-Y148 HydrophobicContact CB-CE2 4.04Å; N144-Y148 WeakPolarHBondContact O-CB 3.45Å; N144-Y148 VanDerWaalsContact O-CD2 3.3Å; N144-Y148 WeakPolarHBondContact O-CD2 3Å; N144-Y148 PolarHBondContact O-N 3.3Å; Y148-L150 PolarHBondContact O-N 3Å
149E83.5Confident85.8Confident60 Ų6056.5 Ų56.528%0.2828%0.281SS..THydrogen-bonded Turntrans47.546.7-179.8-54.3-169.813200113H145 V146 L147 F151 P192 K194H145-E149 PolarHBondContact O-N 2.87Å; V146-E149 PolarHBondContact O-N 2.77Å; L147-E149 VanDerWaalsContact C-N 3.34Å; E149-F151 PolarHBondContact O-N 3.32Å; E149-F151 VanDerWaalsContact O-N 3.11Å; E149-P192 HydrophobicContact CB-CB 3.98Å; E149-P192 HydrophobicContact CG-CB 4.12Å; E149-K194 VanDerWaalsContact OE2-CD 3.28Å; E149-K194 WeakPolarHBondContact OE2-CD 3.5Å; E149-K194 WeakPolarHBondContact OE2-CE 3.38Å; E149-K194 IonicContact OE2-NZ 3.96Å; E149-K194 PolarHBondContact OE2-NZ 2.57Å
150L82.4Confident85.5Confident88 Ų8859.7 Ų59.746%0.46130%0.298SS..  trans-61.7116.2-175-62.3-176.7000110.2H145 Y148 C152 Y157H145-L150 PolarHBondContact O-N 3.16Å; Y148-L150 PolarHBondContact O-N 3Å; L150-C152 PolarHBondContact O-N 3.02Å; L150-Y157 PolarHBondContact O-OH 3.01Å
151F78Confident85.1Confident174 Ų17459.8 Ų59.876%0.76330%0.299SS*.  trans-72.7125.6-174.9-173.1-93.7000112.2E149 Y157E149-F151 PolarHBondContact O-N 3.32Å; E149-F151 VanDerWaalsContact O-N 3.11Å; F151-Y157 WeakPolarHBondContact CA-OH 3.26Å
152C81.2Confident84.8Confident39 Ų3956.1 Ų56.126%0.26428%0.279SS..  trans-132.3167.7172-70.80000110.9L150 V156 Y157L150-C152 PolarHBondContact O-N 3.02Å; C152-V156 HydrophobicContact CB-CB 4.24Å; C152-V156 HydrophobicContact CB-CG1 4.09Å; C152-Y157 HydrophobicContact CB-CD2 4.22Å; C152-Y157 HydrophobicContact CB-CE1 4.38Å; C152-Y157 HydrophobicContact CB-CE2 4.06Å; C152-Y157 HydrophobicContact CB-CG 4.5Å; C152-Y157 PolarHBondContact N-OH 3.44Å; C152-Y157 WeakPolarHBondContact O-CD2 3.14Å; C152-Y157 WeakPolarHBondContact O-CE2 3.33Å
153D84.2Confident84.7Confident82 Ų8259.4 Ų59.444%0.43930%0.295SS..  trans-61.3142.1170.9-178.1-91.9000110.6N155 V156 Y157D153-N155 PolarHBondContact O-N 3.44Å; D153-N155 VanDerWaalsContact O-N 3.1Å; D153-N155 VanDerWaalsContact OD1-CB 3.26Å; D153-N155 WeakPolarHBondContact OD1-CB 3.36Å; D153-N155 PolarHBondContact OD1-N 3.17Å; D153-N155 PolarHBondContact OD1-ND2 2.68Å; D153-V156 HydrophobicContact CB-CB 4.44Å; D153-V156 HydrophobicContact CB-CG2 4.06Å; D153-V156 WeakPolarHBondContact O-CA 3.12Å; D153-V156 WeakPolarHBondContact O-CB 3.37Å; D153-V156 PolarHBondContact O-N 2.94Å; D153-Y157 PolarHBondContact O-N 3.24Å
154P80Confident84.6Confident26 Ų2657.6 Ų57.617%0.16929%0.288CS..Hα-helixtrans-52.2-33.2178.6-29.636.5000115L158 I198P154-L158 PolarHBondContact O-N 3.13Å; P154-L158 VanDerWaalsContact O-N 3.13Å; P154-I198 HydrophobicContact CG-CG2 4.48Å
155N81.6Confident84.4Confident88 Ų8856.7 Ų56.747%0.47128%0.284SS..Hα-helixtrans-72.2-35.8177.6-58.7-63.3000111.7D153 L158 Q159D153-N155 PolarHBondContact O-N 3.44Å; D153-N155 VanDerWaalsContact O-N 3.1Å; D153-N155 VanDerWaalsContact OD1-CB 3.26Å; D153-N155 WeakPolarHBondContact OD1-CB 3.36Å; D153-N155 PolarHBondContact OD1-N 3.17Å; D153-N155 PolarHBondContact OD1-ND2 2.68Å; N155-L158 PolarHBondContact O-N 2.86Å; N155-Q159 WeakPolarHBondContact O-CG 3.48Å; N155-Q159 PolarHBondContact O-N 3.2Å
156V85.8Confident84.4Confident56 Ų5657.6 Ų57.634%0.33929%0.288SS..Hα-helixtrans-66.5-41.5175.1176.30000109.9C152 D153 L158 Q159 L160C152-V156 HydrophobicContact CB-CB 4.24Å; C152-V156 HydrophobicContact CB-CG1 4.09Å; D153-V156 HydrophobicContact CB-CB 4.44Å; D153-V156 HydrophobicContact CB-CG2 4.06Å; D153-V156 WeakPolarHBondContact O-CA 3.12Å; D153-V156 WeakPolarHBondContact O-CB 3.37Å; D153-V156 PolarHBondContact O-N 2.94Å; V156-L158 PolarHBondContact O-N 3.28Å; V156-Q159 PolarHBondContact O-N 2.89Å; V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 VanDerWaalsContact O-CG 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 3.05Å
157Y82.7Confident84.4Confident12 Ų1258.2 Ų58.25%0.04730%0.297CS..Hα-helixtrans-56-49.3172.4-81-62.5000111.8H145 L150 F151 C152 D153 Q159 L160 A161 Y191 P192H145-Y157 AromaticContact CE1-CD1 3.59Å; H145-Y157 AromaticContact CE1-CE1 3.52Å; H145-Y157 AromaticContact NE2-CD1 3.4Å; H145-Y157 WeakPolarHBondContact NE2-CD1 3.4Å; H145-Y157 AromaticContact NE2-CE1 3.16Å; H145-Y157 WeakPolarHBondContact NE2-CE1 3.39Å; L150-Y157 PolarHBondContact O-OH 3.01Å; F151-Y157 WeakPolarHBondContact CA-OH 3.26Å; C152-Y157 HydrophobicContact CB-CD2 4.22Å; C152-Y157 HydrophobicContact CB-CE1 4.38Å; C152-Y157 HydrophobicContact CB-CE2 4.06Å; C152-Y157 HydrophobicContact CB-CG 4.5Å; C152-Y157 PolarHBondContact N-OH 3.44Å; C152-Y157 WeakPolarHBondContact O-CD2 3.14Å; C152-Y157 WeakPolarHBondContact O-CE2 3.33Å; D153-Y157 PolarHBondContact O-N 3.24Å; Y157-Q159 VanDerWaalsContact C-N 3.28Å; Y157-Q159 PolarHBondContact O-N 3.35Å; Y157-L160 PolarHBondContact O-N 2.87Å; Y157-A161 WeakPolarHBondContact O-CB 3.16Å; Y157-A161 PolarHBondContact O-N 3.1Å; Y157-Y191 HydrophobicContact CD1-CD1 4.26Å; Y157-Y191 HydrophobicContact CG-CD1 4.47Å; Y157-Y191 WeakPolarHBondContact O-CE1 3.47Å; Y157-P192 VanDerWaalsContact CE1-CD 3.49Å; Y157-P192 HydrophobicContact CE1-CG 3.73Å
158L82Confident84.4Confident12 Ų1256.1 Ų56.16%0.06328%0.284CS..Hα-helixtrans-56.5-43.6177.7-115.783.6000112P154 N155 V156 A162 L199 N205 F208P154-L158 PolarHBondContact O-N 3.13Å; P154-L158 VanDerWaalsContact O-N 3.13Å; N155-L158 PolarHBondContact O-N 2.86Å; V156-L158 PolarHBondContact O-N 3.28Å; L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.34Å; L158-L199 HydrophobicContact CD1-CD2 3.5Å; L158-L199 VanDerWaalsContact CD1-CD2 3.5Å; L158-N205 HydrophobicContact CD2-CB 4.1Å; L158-F208 HydrophobicContact CD2-CB 4.05Å; L158-F208 HydrophobicContact CG-CD2 4.34Å
159Q86.5Confident84.3Confident87 Ų8755.7 Ų55.741%0.40729%0.288SS..Hα-helixtrans-65.6-48178.4-73.6175.7-10.600111.8N155 V156 Y157 A161 A162 F163 L211N155-Q159 WeakPolarHBondContact O-CG 3.48Å; N155-Q159 PolarHBondContact O-N 3.2Å; V156-Q159 PolarHBondContact O-N 2.89Å; Y157-Q159 VanDerWaalsContact C-N 3.28Å; Y157-Q159 PolarHBondContact O-N 3.35Å; Q159-A161 VanDerWaalsContact C-N 3.32Å; Q159-A161 PolarHBondContact O-N 2.88Å; Q159-A162 PolarHBondContact O-N 2.84Å; Q159-F163 HydrophobicContact CB-CE2 4.11Å; Q159-F163 WeakPolarHBondContact O-CD2 3.38Å; Q159-F163 VanDerWaalsContact O-CG 3.27Å; Q159-F163 WeakPolarHBondContact O-CG 3.46Å; Q159-F163 PolarHBondContact O-N 3.21Å; Q159-L211 HydrophobicContact CB-CD1 4.42Å; Q159-L211 HydrophobicContact CG-CD1 3.9Å
160L87.6Confident84.3Confident75 Ų7554 Ų5439%0.39329%0.288SS..Hα-helixtrans-60.3-42.5178.1-71.7175.5000111.5V156 Y157 F163 A164V156-L160 HydrophobicContact CG1-CD1 3.89Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 VanDerWaalsContact O-CG 3.31Å; V156-L160 WeakPolarHBondContact O-CG 3.42Å; V156-L160 PolarHBondContact O-N 3.05Å; Y157-L160 PolarHBondContact O-N 2.87Å; L160-F163 PolarHBondContact O-N 2.88Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.1Å
161A85.4Confident84.2Confident2 Ų254.9 Ų54.92%0.01729%0.293CS..Hα-helixtrans-64.7-42.1176.600000112Y157 Q159 A164 L165 F185 Y191 F208Y157-A161 WeakPolarHBondContact O-CB 3.16Å; Y157-A161 PolarHBondContact O-N 3.1Å; Q159-A161 VanDerWaalsContact C-N 3.32Å; Q159-A161 PolarHBondContact O-N 2.88Å; A161-A164 PolarHBondContact O-N 3.24Å; A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 2.89Å; A161-F185 HydrophobicContact CB-CE2 4.28Å; A161-F185 HydrophobicContact CB-CZ 4.29Å; A161-Y191 HydrophobicContact CB-CD1 4.4Å; A161-Y191 HydrophobicContact CB-CE1 3.51Å; A161-Y191 HydrophobicContact CB-CE2 4.39Å; A161-Y191 VanDerWaalsContact CB-CZ 3.5Å; A161-Y191 WeakPolarHBondContact CB-OH 3.35Å; A161-F208 HydrophobicContact CB-CE2 4.12Å
162A85.5Confident84.1Confident0 Ų048.6 Ų48.60%027%0.273CS..Hα-helixtrans-65.1-44.6176.300000112.3L158 Q159 A164 L165 Q166 F208 L211 I212L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.34Å; Q159-A162 PolarHBondContact O-N 2.84Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 2.71Å; A162-L165 PolarHBondContact O-N 3.2Å; A162-Q166 PolarHBondContact O-N 3.43Å; A162-F208 HydrophobicContact CB-CD2 4Å; A162-F208 HydrophobicContact CB-CE2 4.16Å; A162-L211 HydrophobicContact CB-CB 3.44Å; A162-L211 VanDerWaalsContact CB-CB 3.44Å; A162-L211 HydrophobicContact CB-CD1 3.89Å; A162-L211 HydrophobicContact CB-CG 4.32Å; A162-I212 HydrophobicContact CB-CG1 4.14Å
163F88Confident83.8Confident116 Ų11649.6 Ų49.651%0.50928%0.279SS..Hα-helixtrans-63.8-38.4175-64-36.1000112.3Q159 L160 Q166 A167 L211Q159-F163 HydrophobicContact CB-CE2 4.11Å; Q159-F163 WeakPolarHBondContact O-CD2 3.38Å; Q159-F163 VanDerWaalsContact O-CG 3.27Å; Q159-F163 WeakPolarHBondContact O-CG 3.46Å; Q159-F163 PolarHBondContact O-N 3.21Å; L160-F163 PolarHBondContact O-N 2.88Å; F163-Q166 PolarHBondContact O-N 2.85Å; F163-A167 WeakPolarHBondContact O-CB 3.1Å; F163-A167 PolarHBondContact O-N 3.48Å; F163-L211 HydrophobicContact CE1-CD2 4.08Å; F163-L211 HydrophobicContact CZ-CD2 4.4Å
164A88.2Confident83.3Confident6 Ų656 Ų565%0.0530%0.303CS..Hα-helixtrans-64.8-42177.600000112.1Y138 L160 A161 A162 A167 E168 Y190Y138-A164 HydrophobicContact CE2-CB 4.23Å; Y138-A164 WeakPolarHBondContact OH-CA 3.17Å; Y138-A164 WeakPolarHBondContact OH-CB 3.49Å; Y138-A164 PolarHBondContact OH-O 2.88Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.1Å; A161-A164 PolarHBondContact O-N 3.24Å; A162-A164 VanDerWaalsContact C-N 3.32Å; A162-A164 PolarHBondContact O-N 2.71Å; A164-A167 PolarHBondContact O-N 3.49Å; A164-E168 WeakPolarHBondContact O-CB 3.07Å; A164-E168 WeakPolarHBondContact O-CG 3.09Å; A164-E168 PolarHBondContact O-N 2.84Å; A164-E168 VanDerWaalsContact O-N 3.12Å; A164-Y190 HydrophobicContact CB-CD1 3.46Å; A164-Y190 VanDerWaalsContact CB-CD1 3.46Å; A164-Y190 HydrophobicContact CB-CE1 3.59Å
165L86.8Confident82.9Confident0 Ų061.6 Ų61.60%033%0.33CS..Hα-helixtrans-60.7-48.5172.2-79.4169000111.7A161 A162 A167 E168 L169 Y184 F185 Y190 F208 I212A161-L165 WeakPolarHBondContact O-CB 3.45Å; A161-L165 WeakPolarHBondContact O-CG 3.19Å; A161-L165 PolarHBondContact O-N 2.89Å; A162-L165 PolarHBondContact O-N 3.2Å; L165-A167 VanDerWaalsContact C-N 3.26Å; L165-A167 PolarHBondContact O-N 2.74Å; L165-E168 PolarHBondContact O-N 3.46Å; L165-E168 VanDerWaalsContact O-N 3.09Å; L165-L169 HydrophobicContact CD2-CD1 3.76Å; L165-L169 PolarHBondContact O-N 3.18Å; L165-Y184 HydrophobicContact CB-CE1 4.24Å; L165-Y184 HydrophobicContact CD1-CE1 4Å; L165-Y184 HydrophobicContact CD2-CD1 4.36Å; L165-Y184 HydrophobicContact CD2-CE1 4.02Å; L165-Y184 VanDerWaalsContact CD2-O 3.23Å; L165-Y184 WeakPolarHBondContact CD2-O 3.41Å; L165-Y184 HydrophobicContact CG-CE1 4.35Å; L165-F185 HydrophobicContact CD1-CB 4.22Å; L165-F185 HydrophobicContact CD1-CD2 3.49Å; L165-F185 VanDerWaalsContact CD1-CD2 3.49Å; L165-F185 HydrophobicContact CD1-CE2 3.92Å; L165-F185 HydrophobicContact CD1-CG 4.02Å; L165-F185 HydrophobicContact CD2-CD2 4Å; L165-F185 HydrophobicContact CG-CD2 4.04Å; L165-F185 HydrophobicContact CG-CE2 4.45Å; L165-Y190 HydrophobicContact CD2-CD2 4.47Å; L165-Y190 HydrophobicContact CD2-CE2 3.62Å; L165-Y190 HydrophobicContact CG-CE1 4.46Å; L165-Y190 HydrophobicContact CG-CE2 4.1Å; L165-F208 HydrophobicContact CD1-CE1 4.22Å; L165-F208 HydrophobicContact CD1-CE2 4.09Å; L165-F208 HydrophobicContact CD1-CZ 3.44Å; L165-F208 VanDerWaalsContact CD1-CZ 3.44Å; L165-I212 HydrophobicContact CD1-CD1 3.71Å; L165-I212 HydrophobicContact CD1-CG1 4.26Å
166Q86Confident82.3Confident42 Ų4261.6 Ų61.620%0.19633%0.326CS..Hα-helixtrans-61.4-37.3179.3-167.662.71000111.7A162 F163 E168 G170 D171 I212 I214A162-Q166 PolarHBondContact O-N 3.43Å; F163-Q166 PolarHBondContact O-N 2.85Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 3.37Å; Q166-G170 WeakPolarHBondContact O-CA 3.33Å; Q166-G170 PolarHBondContact O-N 2.97Å; Q166-G170 VanDerWaalsContact OE1-C 3.27Å; Q166-G170 PolarHBondContact OE1-O 3.05Å; Q166-G170 VanDerWaalsContact OE1-O 3.14Å; Q166-D171 PolarHBondContact NE2-OD1 3.14Å; Q166-I212 PolarHBondContact OE1-O 3.25Å; Q166-I214 VanDerWaalsContact CG-OXT 3.3Å; Q166-I214 WeakPolarHBondContact CG-OXT 3.42Å; Q166-I214 PolarHBondContact NE2-OXT 3.06Å
167A86.2Confident81.4Confident51 Ų5162 Ų6242%0.42133%0.326SS..Hα-helixtrans-70.9-23.9176.900000114.1Y138 F163 A164 L165Y138-A167 HydrophobicContact CE1-CB 4.15Å; F163-A167 WeakPolarHBondContact O-CB 3.1Å; F163-A167 PolarHBondContact O-N 3.48Å; A164-A167 PolarHBondContact O-N 3.49Å; L165-A167 VanDerWaalsContact C-N 3.26Å; L165-A167 PolarHBondContact O-N 2.74Å
168E85Confident80.7Confident59 Ų5966 Ų6628%0.27635%0.353SS..Hα-helixtrans-104.4-40-174.9-74.7175.2-159.300114Y138 R142 A164 L165 Q166 Y190Y138-E168 HydrophobicContact CE1-CG 4.11Å; Y138-E168 WeakPolarHBondContact CE1-OE1 3.41Å; Y138-E168 PolarHBondContact OH-OE1 2.91Å; R142-E168 WeakPolarHBondContact CD-OE1 3.44Å; R142-E168 VanDerWaalsContact CZ-CD 3.44Å; R142-E168 IonicContact CZ-OE1 2.8Å; R142-E168 IonicContact CZ-OE2 3.31Å; R142-E168 VanDerWaalsContact CZ-OE2 3.31Å; R142-E168 IonicContact NE-OE1 3.05Å; R142-E168 PolarHBondContact NE-OE1 3.12Å; R142-E168 IonicContact NH1-OE1 2.97Å; R142-E168 PolarHBondContact NH1-OE1 3.09Å; R142-E168 IonicContact NH1-OE2 2.74Å; R142-E168 PolarHBondContact NH1-OE2 3.39Å; R142-E168 IonicContact NH2-OE1 3.2Å; R142-E168 PolarHBondContact NH2-OE1 3.47Å; R142-E168 IonicContact NH2-OE2 3.49Å; R142-E168 PolarHBondContact NH2-OE2 3.32Å; A164-E168 WeakPolarHBondContact O-CB 3.07Å; A164-E168 WeakPolarHBondContact O-CG 3.09Å; A164-E168 PolarHBondContact O-N 2.84Å; A164-E168 VanDerWaalsContact O-N 3.12Å; L165-E168 PolarHBondContact O-N 3.46Å; L165-E168 VanDerWaalsContact O-N 3.09Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 3.37Å; E168-Y190 PolarHBondContact OE2-OH 3.38Å
169L83.3Confident80Confident94 Ų9473.8 Ų73.849%0.49239%0.39SS..Hα-helixtrans-113.4-13.6-173-56.8-178.9000112.7L165 Y184L165-L169 HydrophobicContact CD2-CD1 3.76Å; L165-L169 PolarHBondContact O-N 3.18Å; L169-Y184 HydrophobicContact CB-CD2 4.25Å; L169-Y184 HydrophobicContact CB-CE2 3.52Å; L169-Y184 HydrophobicContact CD1-CD2 3.76Å; L169-Y184 HydrophobicContact CD1-CE2 3.76Å; L169-Y184 HydrophobicContact CD1-CG 4.22Å; L169-Y184 WeakPolarHBondContact CD1-O 3.48Å; L169-Y184 HydrophobicContact CG-CE2 4.3Å
170G83.6Confident79Confident26 Ų2674.7 Ų74.727%0.26840%0.401SS..  trans65.7-156.1-168.800000111.5Q166 Y184Q166-G170 WeakPolarHBondContact O-CA 3.33Å; Q166-G170 PolarHBondContact O-N 2.97Å; Q166-G170 VanDerWaalsContact OE1-C 3.27Å; Q166-G170 PolarHBondContact OE1-O 3.05Å; Q166-G170 VanDerWaalsContact OE1-O 3.14Å; G170-Y184 PolarHBondContact O-OH 3.01Å
171D81.5Confident78.1Confident106 Ų10675.7 Ų75.757%0.56740%0.404SS*.SBendtrans-56.9142.5-175.7-60-19.3000113.2Q166Q166-D171 PolarHBondContact NE2-OD1 3.14Å
172A74.8Confident77.2Confident41 Ų4182.7 Ų82.734%0.33944%0.439SS..PPolyproline II helixtrans-58.8137171.600000111.8K174 Y184 I212A172-K174 PolarHBondContact O-N 3.19Å; A172-Y184 HydrophobicContact CB-CD1 4.36Å; A172-Y184 HydrophobicContact CB-CE1 4.08Å; A172-Y184 HydrophobicContact CB-CE2 4.39Å; A172-I212 HydrophobicContact CB-CG2 3.37Å
173P75Confident76.6Confident61 Ų6185.4 Ų85.440%0.39646%0.458SS..PPolyproline II helixtrans-62.5135.8175.328-34.6000109.8I175 Y184P173-I175 PolarHBondContact O-N 3.44Å; P173-Y184 HydrophobicContact CG-CD2 4.32Å
174K74Confident75.8Confident215 Ų21581.7 Ų81.794%0.93544%0.441SS*.SBendtrans-65.5-25.5179.3-67.1-179.4-178.9174.90112.7A172A172-K174 PolarHBondContact O-N 3.19Å
175I71Confident75.3Confident144 Ų14482.4 Ų82.474%0.73844%0.443SS*.SBendtrans-128.3123.5-179.8-56.3172.2000105.3P173P173-I175 PolarHBondContact O-N 3.44Å
176F68.8Low74.9Confident88 Ų8885.6 Ų85.639%0.38646%0.46SS..  trans-119.1125175172-110.9000107.9P178 E181F176-P178 HydrophobicContact CE1-CB 3.75Å; F176-P178 HydrophobicContact CE1-CG 4.46Å; F176-P178 HydrophobicContact CZ-CB 4.21Å; F176-E181 HydrophobicContact CD2-CB 4.18Å; F176-E181 HydrophobicContact CE2-CB 3.89Å
177N67.7Low74.6Confident64 Ų6485.3 Ų85.334%0.34246%0.461SS..  trans-106.8103.9173.7-174.912.6000110.2E179 T180 E181N177-E179 PolarHBondContact O-N 3.01Å; N177-E179 PolarHBondContact OD1-N 3.18Å; N177-T180 WeakPolarHBondContact CB-OG1 3.34Å; N177-T180 PolarHBondContact ND2-OG1 3.35Å; N177-T180 PolarHBondContact O-N 2.86Å; N177-T180 VanDerWaalsContact O-N 3.13Å; N177-E181 PolarHBondContact O-N 3.1Å
178P67.4Low74.2Confident96 Ų9688.2 Ų88.262%0.62347%0.466SS*.THydrogen-bonded Turntrans-62.5-17.1-175.724.1-33000114.1F176F176-P178 HydrophobicContact CE1-CB 3.75Å; F176-P178 HydrophobicContact CE1-CG 4.46Å; F176-P178 HydrophobicContact CZ-CB 4.21Å
179E68.3Low74.1Confident177 Ų17789.8 Ų89.883%0.82748%0.476SS*.THydrogen-bonded Turntrans-83.5-23.2179.7-62.1-175.3172.600113.4N177N177-E179 PolarHBondContact O-N 3.01Å; N177-E179 PolarHBondContact OD1-N 3.18Å
180T66Low74.1Confident106 Ų10685.9 Ų85.965%0.6546%0.455SS*.THydrogen-bonded Turntrans-119.2-21-174.156.30000113.7N177N177-T180 WeakPolarHBondContact CB-OG1 3.34Å; N177-T180 PolarHBondContact ND2-OG1 3.35Å; N177-T180 PolarHBondContact O-N 2.86Å; N177-T180 VanDerWaalsContact O-N 3.13Å
181E66.9Low74Confident95 Ų9584.9 Ų84.944%0.44444%0.443SS..SBendtrans-117.5139.7-173.1-67.1177.1172.400111.8F176 N177 S183F176-E181 HydrophobicContact CD2-CB 4.18Å; F176-E181 HydrophobicContact CE2-CB 3.89Å; N177-E181 PolarHBondContact O-N 3.1Å; E181-S183 PolarHBondContact O-N 3.05Å
182I68.2Low74Confident150 Ų15079.9 Ų79.977%0.76942%0.417SS*.  trans-62.9135.9170.5-59.3171.4000107.6Y184 L186I182-Y184 PolarHBondContact O-N 3.19Å; I182-Y184 VanDerWaalsContact O-N 3.16Å; I182-L186 HydrophobicContact CG2-CD1 4.36Å
183S71.7Confident74.2Confident56 Ų5685.8 Ų85.839%0.39244%0.435SS..  trans-48.2125.1176.6-175.80000110.3E181 F185E181-S183 PolarHBondContact O-N 3.05Å; S183-F185 PolarHBondContact O-N 3.02Å; S183-F185 VanDerWaalsContact O-N 3.09Å; S183-F185 PolarHBondContact OG-N 3.39Å; S183-F185 PolarHBondContact OG-O 2.95Å
184Y72.3Confident74.3Confident38 Ų3890 Ų9015%0.14945%0.447CS..SBendtrans-55.3-28.9176.3176.3-91.7000111.4L165 L169 G170 A172 P173 I182 I212L165-Y184 HydrophobicContact CB-CE1 4.24Å; L165-Y184 HydrophobicContact CD1-CE1 4Å; L165-Y184 HydrophobicContact CD2-CD1 4.36Å; L165-Y184 HydrophobicContact CD2-CE1 4.02Å; L165-Y184 VanDerWaalsContact CD2-O 3.23Å; L165-Y184 WeakPolarHBondContact CD2-O 3.41Å; L165-Y184 HydrophobicContact CG-CE1 4.35Å; L169-Y184 HydrophobicContact CB-CD2 4.25Å; L169-Y184 HydrophobicContact CB-CE2 3.52Å; L169-Y184 HydrophobicContact CD1-CD2 3.76Å; L169-Y184 HydrophobicContact CD1-CE2 3.76Å; L169-Y184 HydrophobicContact CD1-CG 4.22Å; L169-Y184 WeakPolarHBondContact CD1-O 3.48Å; L169-Y184 HydrophobicContact CG-CE2 4.3Å; G170-Y184 PolarHBondContact O-OH 3.01Å; A172-Y184 HydrophobicContact CB-CD1 4.36Å; A172-Y184 HydrophobicContact CB-CE1 4.08Å; A172-Y184 HydrophobicContact CB-CE2 4.39Å; P173-Y184 HydrophobicContact CG-CD2 4.32Å; I182-Y184 PolarHBondContact O-N 3.19Å; I182-Y184 VanDerWaalsContact O-N 3.16Å; Y184-I212 HydrophobicContact CE1-CD1 4.29Å; Y184-I212 HydrophobicContact CE1-CG2 3.59Å; Y184-I212 WeakPolarHBondContact OH-CG2 3.46Å
185F76.5Confident74.2Confident22 Ų2280.1 Ų80.110%0.09640%0.404CS..  trans-124.8122.6176.4-177.4-136.1000111.7A161 L165 S183 P187 Y190 Y191 I204 F208A161-F185 HydrophobicContact CB-CE2 4.28Å; A161-F185 HydrophobicContact CB-CZ 4.29Å; L165-F185 HydrophobicContact CD1-CB 4.22Å; L165-F185 HydrophobicContact CD1-CD2 3.49Å; L165-F185 VanDerWaalsContact CD1-CD2 3.49Å; L165-F185 HydrophobicContact CD1-CE2 3.92Å; L165-F185 HydrophobicContact CD1-CG 4.02Å; L165-F185 HydrophobicContact CD2-CD2 4Å; L165-F185 HydrophobicContact CG-CD2 4.04Å; L165-F185 HydrophobicContact CG-CE2 4.45Å; S183-F185 PolarHBondContact O-N 3.02Å; S183-F185 VanDerWaalsContact O-N 3.09Å; S183-F185 PolarHBondContact OG-N 3.39Å; S183-F185 PolarHBondContact OG-O 2.95Å; F185-P187 HydrophobicContact CD1-CG 4.11Å; F185-P187 HydrophobicContact CE1-CB 4.44Å; F185-P187 HydrophobicContact CE1-CG 3.88Å; F185-P187 HydrophobicContact CZ-CB 4.49Å; F185-P187 HydrophobicContact CZ-CG 4.36Å; F185-Y190 AromaticContact CD2-CD2 3.78Å; F185-Y190 HydrophobicContact CD2-CD2 3.78Å; F185-Y190 HydrophobicContact CD2-CE2 4.09Å; F185-Y190 AromaticContact CE2-CD2 3.55Å; F185-Y190 HydrophobicContact CE2-CD2 3.55Å; F185-Y190 HydrophobicContact CE2-CE2 4.3Å; F185-Y190 HydrophobicContact CE2-CG 4.12Å; F185-Y191 AromaticContact CE1-CE2 3.99Å; F185-Y191 HydrophobicContact CE1-CE2 3.99Å; F185-Y191 HydrophobicContact CE2-CE2 4.3Å; F185-Y191 HydrophobicContact CZ-CD2 4.2Å; F185-Y191 AromaticContact CZ-CE2 3.33Å; F185-Y191 HydrophobicContact CZ-CE2 3.33Å; F185-Y191 AromaticContact CZ-CZ 3.8Å; F185-I204 HydrophobicContact CD1-CD1 4.2Å; F185-I204 HydrophobicContact CE1-CD1 4Å; F185-F208 AromaticContact CD1-CE1 3.81Å; F185-F208 HydrophobicContact CD1-CE1 3.81Å; F185-F208 AromaticContact CD1-CZ 3.57Å; F185-F208 HydrophobicContact CD1-CZ 3.57Å; F185-F208 AromaticContact CD2-CZ 3.91Å; F185-F208 HydrophobicContact CD2-CZ 3.91Å; F185-F208 AromaticContact CE1-CE1 3.94Å; F185-F208 HydrophobicContact CE1-CE1 3.94Å; F185-F208 HydrophobicContact CE1-CE2 4.08Å; F185-F208 AromaticContact CE1-CZ 3.4Å; F185-F208 HydrophobicContact CE1-CZ 3.4Å; F185-F208 VanDerWaalsContact CE1-CZ 3.4Å; F185-F208 HydrophobicContact CE2-CE2 4.23Å; F185-F208 AromaticContact CE2-CZ 3.73Å; F185-F208 HydrophobicContact CE2-CZ 3.73Å; F185-F208 HydrophobicContact CG-CE1 4.19Å; F185-F208 AromaticContact CG-CZ 3.78Å; F185-F208 HydrophobicContact CG-CZ 3.78Å; F185-F208 HydrophobicContact CZ-CE1 4.41Å; F185-F208 AromaticContact CZ-CE2 3.82Å; F185-F208 HydrophobicContact CZ-CE2 3.82Å; F185-F208 AromaticContact CZ-CZ 3.44Å; F185-F208 HydrophobicContact CZ-CZ 3.44Å; F185-F208 VanDerWaalsContact CZ-CZ 3.44Å
186L79.5Confident74.4Confident66 Ų6674.4 Ų74.435%0.34638%0.375SS..  trans-115.399.7169.7-66.4175.8000107.9I182 E188 L189 Y190I182-L186 HydrophobicContact CG2-CD1 4.36Å; L186-E188 PolarHBondContact O-N 3.18Å; L186-L189 HydrophobicContact CB-CD1 3.97Å; L186-L189 HydrophobicContact CB-CG 4Å; L186-L189 HydrophobicContact CD1-CD1 4Å; L186-L189 PolarHBondContact O-N 3.4Å; L186-Y190 WeakPolarHBondContact O-CD2 3.37Å
187P78.8Confident74.4Confident36 Ų3675.5 Ų75.523%0.23439%0.385CS..G310 helixtrans-48.2-35.3-177-30.937.3000113.8F185 L189 Y190 Y191 L196F185-P187 HydrophobicContact CD1-CG 4.11Å; F185-P187 HydrophobicContact CE1-CB 4.44Å; F185-P187 HydrophobicContact CE1-CG 3.88Å; F185-P187 HydrophobicContact CZ-CB 4.49Å; F185-P187 HydrophobicContact CZ-CG 4.36Å; P187-L189 PolarHBondContact O-N 3Å; P187-Y190 PolarHBondContact O-N 3.24Å; P187-Y190 VanDerWaalsContact O-N 3.1Å; P187-Y191 HydrophobicContact CB-CD2 3.8Å; P187-Y191 HydrophobicContact CB-CE2 4.2Å; P187-Y191 WeakPolarHBondContact O-CB 3.36Å; P187-Y191 WeakPolarHBondContact O-CD2 3.39Å; P187-Y191 PolarHBondContact O-N 3.25Å; P187-L196 HydrophobicContact CB-CD2 3.44Å; P187-L196 VanDerWaalsContact CB-CD2 3.44Å
188E79.1Confident74.3Confident112 Ų11276 Ų7652%0.52339%0.387SS..G310 helixtrans-64.6-21.8-177-52.878-171.500113.3L186 L196L186-E188 PolarHBondContact O-N 3.18Å; E188-L196 HydrophobicContact CG-CD1 4.19Å
189L81.5Confident74.2Confident92 Ų9272.2 Ų72.248%0.48236%0.362SS..G310 helixtrans-85.9-17.1178.4-60.5-176.3000113.1L186 P187L186-L189 HydrophobicContact CB-CD1 3.97Å; L186-L189 HydrophobicContact CB-CG 4Å; L186-L189 HydrophobicContact CD1-CD1 4Å; L186-L189 PolarHBondContact O-N 3.4Å; P187-L189 PolarHBondContact O-N 3Å
190Y83Confident73.8Confident13 Ų1371.4 Ų71.45%0.05136%0.358CS..THydrogen-bonded Turntrans-119.7-24.4-171.8-61.1-77.7000113.1H145 A164 L165 E168 F185 L186 P187H145-Y190 PolarHBondContact CE1-O 3.47Å; A164-Y190 HydrophobicContact CB-CD1 3.46Å; A164-Y190 VanDerWaalsContact CB-CD1 3.46Å; A164-Y190 HydrophobicContact CB-CE1 3.59Å; L165-Y190 HydrophobicContact CD2-CD2 4.47Å; L165-Y190 HydrophobicContact CD2-CE2 3.62Å; L165-Y190 HydrophobicContact CG-CE1 4.46Å; L165-Y190 HydrophobicContact CG-CE2 4.1Å; E168-Y190 PolarHBondContact OE2-OH 3.38Å; F185-Y190 AromaticContact CD2-CD2 3.78Å; F185-Y190 HydrophobicContact CD2-CD2 3.78Å; F185-Y190 HydrophobicContact CD2-CE2 4.09Å; F185-Y190 AromaticContact CE2-CD2 3.55Å; F185-Y190 HydrophobicContact CE2-CD2 3.55Å; F185-Y190 HydrophobicContact CE2-CE2 4.3Å; F185-Y190 HydrophobicContact CE2-CG 4.12Å; L186-Y190 WeakPolarHBondContact O-CD2 3.37Å; P187-Y190 PolarHBondContact O-N 3.24Å; P187-Y190 VanDerWaalsContact O-N 3.1Å
191Y81.3Confident73.3Confident5 Ų573.2 Ų73.22%0.0236%0.364CS..SBendtrans-111.7140-177.5-62.4-54.5000112.7Y157 A161 F185 P187 S195 L196 L199Y157-Y191 HydrophobicContact CD1-CD1 4.26Å; Y157-Y191 HydrophobicContact CG-CD1 4.47Å; Y157-Y191 WeakPolarHBondContact O-CE1 3.47Å; A161-Y191 HydrophobicContact CB-CD1 4.4Å; A161-Y191 HydrophobicContact CB-CE1 3.51Å; A161-Y191 HydrophobicContact CB-CE2 4.39Å; A161-Y191 VanDerWaalsContact CB-CZ 3.5Å; A161-Y191 WeakPolarHBondContact CB-OH 3.35Å; F185-Y191 AromaticContact CE1-CE2 3.99Å; F185-Y191 HydrophobicContact CE1-CE2 3.99Å; F185-Y191 HydrophobicContact CE2-CE2 4.3Å; F185-Y191 HydrophobicContact CZ-CD2 4.2Å; F185-Y191 AromaticContact CZ-CE2 3.33Å; F185-Y191 HydrophobicContact CZ-CE2 3.33Å; F185-Y191 AromaticContact CZ-CZ 3.8Å; P187-Y191 HydrophobicContact CB-CD2 3.8Å; P187-Y191 HydrophobicContact CB-CE2 4.2Å; P187-Y191 WeakPolarHBondContact O-CB 3.36Å; P187-Y191 WeakPolarHBondContact O-CD2 3.39Å; P187-Y191 PolarHBondContact O-N 3.25Å; Y191-S195 WeakPolarHBondContact CB-OG 3.23Å; Y191-L196 HydrophobicContact CD2-CD2 3.88Å; Y191-L196 HydrophobicContact CG-CD2 4.28Å; Y191-L199 HydrophobicContact CD1-CD1 3.49Å; Y191-L199 VanDerWaalsContact CD1-CD1 3.49Å; Y191-L199 HydrophobicContact CD2-CD1 3.54Å; Y191-L199 HydrophobicContact CE1-CD1 3.45Å; Y191-L199 VanDerWaalsContact CE1-CD1 3.45Å; Y191-L199 HydrophobicContact CE2-CD1 3.45Å; Y191-L199 VanDerWaalsContact CE2-CD1 3.45Å; Y191-L199 HydrophobicContact CG-CD1 3.54Å; Y191-L199 VanDerWaalsContact CZ-CD1 3.44Å
192P81.9Confident72.9Confident1 Ų174.8 Ų74.81%0.00637%0.365CS..  trans-54.9143.6163.7-28.937.9000111.9E149 Y157 K194 S195 L196E149-P192 HydrophobicContact CB-CB 3.98Å; E149-P192 HydrophobicContact CG-CB 4.12Å; Y157-P192 VanDerWaalsContact CE1-CD 3.49Å; Y157-P192 HydrophobicContact CE1-CG 3.73Å; P192-K194 VanDerWaalsContact C-N 3.27Å; P192-K194 PolarHBondContact O-N 2.99Å; P192-S195 WeakPolarHBondContact CD-OG 3.25Å; P192-S195 PolarHBondContact O-N 2.78Å; P192-S195 PolarHBondContact O-OG 2.81Å; P192-L196 PolarHBondContact O-N 3.3Å
193K80.1Confident72.4Confident165 Ų16578.7 Ų78.772%0.71737%0.37SS*.Hα-helixtrans-53.4-44.4-177.6-68.3-178.3178.5178.60112.3S195 L196K193-S195 PolarHBondContact O-N 2.73Å; K193-S195 VanDerWaalsContact O-N 3.17Å; K193-L196 WeakPolarHBondContact O-CB 3.42Å; K193-L196 PolarHBondContact O-N 3.14Å
194K75.8Confident71.8Confident150 Ų15080.1 Ų80.165%0.65237%0.373SS*.Hα-helixtrans-60.4-23.7176.8-70175.7-179.81480114.8E149 P192E149-K194 VanDerWaalsContact OE2-CD 3.28Å; E149-K194 WeakPolarHBondContact OE2-CD 3.5Å; E149-K194 WeakPolarHBondContact OE2-CE 3.38Å; E149-K194 IonicContact OE2-NZ 3.96Å; E149-K194 PolarHBondContact OE2-NZ 2.57Å; P192-K194 VanDerWaalsContact C-N 3.27Å; P192-K194 PolarHBondContact O-N 2.99Å
195S73.6Confident71Confident6 Ų681.6 Ų81.64%0.04238%0.383CS..Hα-helixtrans-90.5-19.1-179.569.30000113.2Y191 P192 K193 D197 I198 L199Y191-S195 WeakPolarHBondContact CB-OG 3.23Å; P192-S195 WeakPolarHBondContact CD-OG 3.25Å; P192-S195 PolarHBondContact O-N 2.78Å; P192-S195 PolarHBondContact O-OG 2.81Å; K193-S195 PolarHBondContact O-N 2.73Å; K193-S195 VanDerWaalsContact O-N 3.17Å; S195-D197 VanDerWaalsContact C-N 3.34Å; S195-D197 PolarHBondContact O-N 2.99Å; S195-I198 WeakPolarHBondContact O-CB 3.35Å; S195-I198 PolarHBondContact O-N 2.91Å; S195-I198 VanDerWaalsContact O-N 3.14Å; S195-L199 WeakPolarHBondContact O-CG 3.39Å; S195-L199 PolarHBondContact O-N 3.35Å; S195-L199 VanDerWaalsContact O-N 3.1Å
196L73.6Confident70.1Confident25 Ų2584.5 Ų84.513%0.13141%0.406CS..Hα-helixtrans-60.1-44.5178.4-70.2171.5000111.1P187 E188 Y191 P192 K193 I198 L199 E200P187-L196 HydrophobicContact CB-CD2 3.44Å; P187-L196 VanDerWaalsContact CB-CD2 3.44Å; E188-L196 HydrophobicContact CG-CD1 4.19Å; Y191-L196 HydrophobicContact CD2-CD2 3.88Å; Y191-L196 HydrophobicContact CG-CD2 4.28Å; P192-L196 PolarHBondContact O-N 3.3Å; K193-L196 WeakPolarHBondContact O-CB 3.42Å; K193-L196 PolarHBondContact O-N 3.14Å; L196-I198 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 2.85Å; L196-E200 PolarHBondContact O-N 3.24Å
197D69Low69.2Low110 Ų11084.3 Ų84.359%0.58841%0.408SS*.Hα-helixtrans-58.5-34177.3-59.4-17.3000112.6S195 N201S195-D197 VanDerWaalsContact C-N 3.34Å; S195-D197 PolarHBondContact O-N 2.99Å; D197-N201 PolarHBondContact O-ND2 2.74Å
198I66.9Low68.6Low76 Ų7683 Ų8339%0.3940%0.399SS..Hα-helixtrans-74.5-35.3179.2-58.6174.3000110.4P154 S195 L196P154-I198 HydrophobicContact CG-CG2 4.48Å; S195-I198 WeakPolarHBondContact O-CB 3.35Å; S195-I198 PolarHBondContact O-N 2.91Å; S195-I198 VanDerWaalsContact O-N 3.14Å; L196-I198 PolarHBondContact O-N 3.41Å
199L64Low67.8Low16 Ų1682.8 Ų82.88%0.08440%0.4CS..Hα-helixtrans-84.1-34.2-175.5-68.5174.4000112.9L158 Y191 S195 L196 N201 R202L158-L199 HydrophobicContact CD1-CD2 3.5Å; L158-L199 VanDerWaalsContact CD1-CD2 3.5Å; Y191-L199 HydrophobicContact CD1-CD1 3.49Å; Y191-L199 VanDerWaalsContact CD1-CD1 3.49Å; Y191-L199 HydrophobicContact CD2-CD1 3.54Å; Y191-L199 HydrophobicContact CE1-CD1 3.45Å; Y191-L199 VanDerWaalsContact CE1-CD1 3.45Å; Y191-L199 HydrophobicContact CE2-CD1 3.45Å; Y191-L199 VanDerWaalsContact CE2-CD1 3.45Å; Y191-L199 HydrophobicContact CG-CD1 3.54Å; Y191-L199 VanDerWaalsContact CZ-CD1 3.44Å; S195-L199 WeakPolarHBondContact O-CG 3.39Å; S195-L199 PolarHBondContact O-N 3.35Å; S195-L199 VanDerWaalsContact O-N 3.1Å; L196-L199 PolarHBondContact O-N 2.85Å; L199-N201 PolarHBondContact O-N 2.86Å; L199-R202 CarbonylContact O-C 3.29Å; L199-R202 VanDerWaalsContact O-C 3.29Å; L199-R202 WeakPolarHBondContact O-CA 3.3Å; L199-R202 PolarHBondContact O-N 2.96Å
200E61.1Low67Low160 Ų16084.5 Ų84.575%0.74841%0.406SS*.Hα-helixtrans-57.7-35172.9-75-173.1169.100111.8L196 R202L196-E200 PolarHBondContact O-N 3.24Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 PolarHBondContact O-N 2.84Å
201N54.9Low65.9Low144 Ų14485.2 Ų85.277%0.7741%0.41SS*.THydrogen-bonded Turntrans-72.3-19175.4-77.1-59.3000113.8D197 L199D197-N201 PolarHBondContact O-ND2 2.74Å; L199-N201 PolarHBondContact O-N 2.86Å
202R58.7Low65.1Low127 Ų12785.2 Ų85.248%0.47941%0.411SS..SBendtrans-112.991.2-179.1-67.1-173.9179.6-174.92108.7L199 E200 I204L199-R202 CarbonylContact O-C 3.29Å; L199-R202 VanDerWaalsContact O-C 3.29Å; L199-R202 WeakPolarHBondContact O-CA 3.3Å; L199-R202 PolarHBondContact O-N 2.96Å; E200-R202 VanDerWaalsContact C-N 3.28Å; E200-R202 PolarHBondContact O-N 2.84Å; R202-I204 PolarHBondContact O-N 3.44Å
203R56.7Low63.9Low232 Ų23293 Ų9388%0.87545%0.445SS*.  trans-31.2115169.2-83.4-178.4176.9160.1-0.4109.7N205R203-N205 WeakPolarHBondContact O-CA 3.49Å; R203-N205 PolarHBondContact O-N 3.43Å; R203-N205 PolarHBondContact O-OD1 3.09Å
204I59.4Low62.5Low86 Ų8692.5 Ų92.544%0.44145%0.448SS..  trans-45.2106.5-176.1-64.8169.3000108.4F185 R202 F208F185-I204 HydrophobicContact CD1-CD1 4.2Å; F185-I204 HydrophobicContact CE1-CD1 4Å; R202-I204 PolarHBondContact O-N 3.44Å; I204-F208 HydrophobicContact CG2-CB 3.53Å; I204-F208 HydrophobicContact CG2-CD1 3.22Å; I204-F208 HydrophobicContact CG2-CD2 4.31Å; I204-F208 HydrophobicContact CG2-CE1 3.9Å; I204-F208 HydrophobicContact CG2-CG 3.45Å; I204-F208 VanDerWaalsContact CG2-CG 3.45Å
205N55.6Low61.8Low69 Ų6989.7 Ų89.737%0.36944%0.438SS..  trans-62154.9-164.8-75.1-45000111.4L158 R203 T207 F208L158-N205 HydrophobicContact CD2-CB 4.1Å; R203-N205 WeakPolarHBondContact O-CA 3.49Å; R203-N205 PolarHBondContact O-N 3.43Å; R203-N205 PolarHBondContact O-OD1 3.09Å; N205-T207 PolarHBondContact O-N 3.33Å; N205-F208 WeakPolarHBondContact O-CB 3.48Å; N205-F208 PolarHBondContact O-N 3.34Å
206S57.4Low61.2Low84 Ų8494.1 Ų94.159%0.58746%0.459SS*.Hα-helixtrans-47.4-29.7171.251.80000113.4F208 L209 Q210S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.4Å; S206-L209 PolarHBondContact O-N 3.16Å; S206-Q210 WeakPolarHBondContact O-CG 3.4Å; S206-Q210 PolarHBondContact O-N 3.02Å
207T60.6Low60.5Low62 Ų6297.9 Ų97.938%0.3848%0.477SS..Hα-helixtrans-56-42.3172.8-42.60000113N205 Q210 L211N205-T207 PolarHBondContact O-N 3.33Å; T207-Q210 PolarHBondContact O-N 3.38Å; T207-L211 HydrophobicContact CG2-CD1 4.14Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.38Å; T207-L211 PolarHBondContact O-N 2.97Å
208F67.2Low60Low8 Ų897.2 Ų97.24%0.03547%0.471CS..Hα-helixtrans-63.8-45.2179.3-175.1-102.6000111.2L158 A161 A162 L165 F185 I204 N205 S206 Q210 L211 I212L158-F208 HydrophobicContact CD2-CB 4.05Å; L158-F208 HydrophobicContact CG-CD2 4.34Å; A161-F208 HydrophobicContact CB-CE2 4.12Å; A162-F208 HydrophobicContact CB-CD2 4Å; A162-F208 HydrophobicContact CB-CE2 4.16Å; L165-F208 HydrophobicContact CD1-CE1 4.22Å; L165-F208 HydrophobicContact CD1-CE2 4.09Å; L165-F208 HydrophobicContact CD1-CZ 3.44Å; L165-F208 VanDerWaalsContact CD1-CZ 3.44Å; F185-F208 AromaticContact CD1-CE1 3.81Å; F185-F208 HydrophobicContact CD1-CE1 3.81Å; F185-F208 AromaticContact CD1-CZ 3.57Å; F185-F208 HydrophobicContact CD1-CZ 3.57Å; F185-F208 AromaticContact CD2-CZ 3.91Å; F185-F208 HydrophobicContact CD2-CZ 3.91Å; F185-F208 AromaticContact CE1-CE1 3.94Å; F185-F208 HydrophobicContact CE1-CE1 3.94Å; F185-F208 HydrophobicContact CE1-CE2 4.08Å; F185-F208 AromaticContact CE1-CZ 3.4Å; F185-F208 HydrophobicContact CE1-CZ 3.4Å; F185-F208 VanDerWaalsContact CE1-CZ 3.4Å; F185-F208 HydrophobicContact CE2-CE2 4.23Å; F185-F208 AromaticContact CE2-CZ 3.73Å; F185-F208 HydrophobicContact CE2-CZ 3.73Å; F185-F208 HydrophobicContact CG-CE1 4.19Å; F185-F208 AromaticContact CG-CZ 3.78Å; F185-F208 HydrophobicContact CG-CZ 3.78Å; F185-F208 HydrophobicContact CZ-CE1 4.41Å; F185-F208 AromaticContact CZ-CE2 3.82Å; F185-F208 HydrophobicContact CZ-CE2 3.82Å; F185-F208 AromaticContact CZ-CZ 3.44Å; F185-F208 HydrophobicContact CZ-CZ 3.44Å; F185-F208 VanDerWaalsContact CZ-CZ 3.44Å; I204-F208 HydrophobicContact CG2-CB 3.53Å; I204-F208 HydrophobicContact CG2-CD1 3.22Å; I204-F208 HydrophobicContact CG2-CD2 4.31Å; I204-F208 HydrophobicContact CG2-CE1 3.9Å; I204-F208 HydrophobicContact CG2-CG 3.45Å; I204-F208 VanDerWaalsContact CG2-CG 3.45Å; N205-F208 WeakPolarHBondContact O-CB 3.48Å; N205-F208 PolarHBondContact O-N 3.34Å; S206-F208 VanDerWaalsContact C-N 3.34Å; S206-F208 PolarHBondContact O-N 3.4Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.48Å; F208-L211 PolarHBondContact O-N 3.29Å; F208-I212 HydrophobicContact CD1-CD1 3.42Å; F208-I212 VanDerWaalsContact CD1-CD1 3.42Å; F208-I212 HydrophobicContact CD2-CD1 4.3Å; F208-I212 HydrophobicContact CE1-CD1 3.15Å; F208-I212 HydrophobicContact CE2-CD1 4.06Å; F208-I212 HydrophobicContact CG-CD1 4.02Å; F208-I212 HydrophobicContact CZ-CD1 3.51Å; F208-I212 WeakPolarHBondContact O-CD1 3.35Å; F208-I212 WeakPolarHBondContact O-CG1 3.47Å; F208-I212 PolarHBondContact O-N 3.41Å
209L62Low59.5Low107 Ų10798.5 Ų98.556%0.5648%0.476SS*.Hα-helixtrans-67-27.7176.4-68.1175000113.3S206 K213S206-L209 PolarHBondContact O-N 3.16Å; L209-K213 WeakPolarHBondContact O-CG 3.11Å
210Q63.8Low59.2Low129 Ų129104 Ų10460%0.60350%0.502SS*.Hα-helixtrans-73.3-39.2173.7-75.3176.4-7.800111.5S206 T207 F208 I212 K213S206-Q210 WeakPolarHBondContact O-CG 3.4Å; S206-Q210 PolarHBondContact O-N 3.02Å; T207-Q210 PolarHBondContact O-N 3.38Å; F208-Q210 VanDerWaalsContact C-N 3.28Å; F208-Q210 PolarHBondContact O-N 3.48Å; Q210-I212 VanDerWaalsContact C-N 3.35Å; Q210-K213 PolarHBondContact O-N 3.13Å
211L61.5Low59.1Low27 Ų27100 Ų10014%0.14148%0.484CS..Hα-helixtrans-70.7-29.5-178.4-70.7169.2000113.2Q159 A162 F163 T207 F208 K213Q159-L211 HydrophobicContact CB-CD1 4.42Å; Q159-L211 HydrophobicContact CG-CD1 3.9Å; A162-L211 HydrophobicContact CB-CB 3.44Å; A162-L211 VanDerWaalsContact CB-CB 3.44Å; A162-L211 HydrophobicContact CB-CD1 3.89Å; A162-L211 HydrophobicContact CB-CG 4.32Å; F163-L211 HydrophobicContact CE1-CD2 4.08Å; F163-L211 HydrophobicContact CZ-CD2 4.4Å; T207-L211 HydrophobicContact CG2-CD1 4.14Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.38Å; T207-L211 PolarHBondContact O-N 2.97Å; F208-L211 PolarHBondContact O-N 3.29Å; L211-K213 PolarHBondContact O-N 3.05Å
212I63.2Low59.4Low5 Ų596.6 Ų96.63%0.02646%0.462CS..THydrogen-bonded Turntrans-78.8-5.5178.5-66.4165.2000112.8A162 L165 Q166 A172 Y184 F208 Q210A162-I212 HydrophobicContact CB-CG1 4.14Å; L165-I212 HydrophobicContact CD1-CD1 3.71Å; L165-I212 HydrophobicContact CD1-CG1 4.26Å; Q166-I212 PolarHBondContact OE1-O 3.25Å; A172-I212 HydrophobicContact CB-CG2 3.37Å; Y184-I212 HydrophobicContact CE1-CD1 4.29Å; Y184-I212 HydrophobicContact CE1-CG2 3.59Å; Y184-I212 WeakPolarHBondContact OH-CG2 3.46Å; F208-I212 HydrophobicContact CD1-CD1 3.42Å; F208-I212 VanDerWaalsContact CD1-CD1 3.42Å; F208-I212 HydrophobicContact CD2-CD1 4.3Å; F208-I212 HydrophobicContact CE1-CD1 3.15Å; F208-I212 HydrophobicContact CE2-CD1 4.06Å; F208-I212 HydrophobicContact CG-CD1 4.02Å; F208-I212 HydrophobicContact CZ-CD1 3.51Å; F208-I212 WeakPolarHBondContact O-CD1 3.35Å; F208-I212 WeakPolarHBondContact O-CG1 3.47Å; F208-I212 PolarHBondContact O-N 3.41Å; Q210-I212 VanDerWaalsContact C-N 3.35Å
213K58.1Low59.5Low166 Ų16694.1 Ų94.172%0.72246%0.461SS*.THydrogen-bonded Turntrans-100.34.7179.9-72.1179.1-180-178.20114L209 Q210 L211L209-K213 WeakPolarHBondContact O-CG 3.11Å; Q210-K213 PolarHBondContact O-N 3.13Å; L211-K213 PolarHBondContact O-N 3.05Å
214I48.8Very low59.8Low154 Ų15481.5 Ų81.579%0.7942%0.423SS*.  trans-102.20-178.1-59175.5000109.6Q166Q166-I214 VanDerWaalsContact CG-OXT 3.3Å; Q166-I214 WeakPolarHBondContact CG-OXT 3.42Å; Q166-I214 PolarHBondContact NE2-OXT 3.06Å

Retrieved 214 of 214 residues in 496.2 ms (Link to these results)

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