A0A060WPW1_ONCMY Loading...

Guanylyl cyclase domain containing 1

AlphaFold DB , UniProt , Accession A0A060WPW1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525516, Length 227 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
1M49.2Very low85.7Confident228 Ų22876.9 Ų76.9100%1.12343%0.428SS*.  0132.30-73.4176.8152.300105.5
2S56.4Low86.5Confident75 Ų7573.8 Ų73.852%0.52441%0.413SS..  trans-63.2143.3176.252.70000108.9D4 A5S2-D4 PolarHBondContact O-N 3.26Å; S2-A5 PolarHBondContact O-N 2.88Å
3D71.4Confident87.1Confident102 Ų10271.2 Ų71.255%0.54540%0.396SS..THydrogen-bonded Turntrans-60.2-3.2176.1-63.4-18.5000113Y129D3-Y129 HydrophobicContact CB-CE2 4.37Å
4D87.6Confident87.6Confident67 Ų6776.7 Ų76.736%0.35841%0.408SS..THydrogen-bonded Turntrans-83.2-21.2-179.6-67.7-38.8000114.2S2 N182 R183 S184S2-D4 PolarHBondContact O-N 3.26Å; D4-N182 CarbonylContact O-C 3.53Å; D4-N182 WeakPolarHBondContact O-CA 3.44Å; D4-R183 HydrophobicContact CB-CB 4.34Å; D4-R183 PolarHBondContact O-N 3.12Å; D4-S184 WeakPolarHBondContact CB-OG 3.47Å
5A95.1Very high88Confident37 Ų3773.5 Ų73.531%0.30639%0.39SS..EExtended strand (participates in β ladder)trans-131.4121.1-177.100000112.3S2 F181 N182S2-A5 PolarHBondContact O-N 2.88Å; A5-F181 WeakPolarHBondContact CA-O 3.5Å; A5-N182 HydrophobicContact CB-CB 4.33Å
6V97.4Very high88.1Confident24 Ų2477.3 Ų77.315%0.14541%0.409CS..EExtended strand (participates in β ladder)trans-123.2131.3176.6178.20000108.8L8 I128 Y129 G180 F181V6-L8 HydrophobicContact CG1-CD2 3.91Å; V6-L8 HydrophobicContact CG1-CG 4.19Å; V6-I128 HydrophobicContact CG1-CG2 3.97Å; V6-Y129 HydrophobicContact CG2-CD2 3.83Å; V6-G180 CarbonylContact O-C 3.5Å; V6-G180 WeakPolarHBondContact O-CA 3.23Å; V6-F181 HydrophobicContact CB-CD1 4.17Å; V6-F181 HydrophobicContact CB-CE1 3.78Å; V6-F181 HydrophobicContact CB-CZ 4.02Å; V6-F181 HydrophobicContact CG2-CE1 3.8Å; V6-F181 HydrophobicContact CG2-CE2 4.26Å; V6-F181 HydrophobicContact CG2-CZ 3.59Å; V6-F181 PolarHBondContact N-O 2.99Å; V6-F181 PolarHBondContact O-N 2.73Å; V6-F181 VanDerWaalsContact O-O 3.09Å
7L97.4Very high88.1Confident99 Ų9980.9 Ų80.952%0.51842%0.417SS..EExtended strand (participates in β ladder)trans-139.1110.1167.9177.859.8000108.7F189 V199L7-F189 HydrophobicContact CD1-CB 3.76Å; L7-F189 HydrophobicContact CD1-CD2 4.25Å; L7-F189 HydrophobicContact CD1-CG 4.05Å; L7-V199 HydrophobicContact CD1-CG1 4.1Å
8L97.7Very high87.8Confident24 Ų2483.1 Ų83.113%0.12643%0.425CS..  trans-81.2139.2178.4-54.7179.1000109.7V6 V10 Y32 I128 H132 V133 C179V6-L8 HydrophobicContact CG1-CD2 3.91Å; V6-L8 HydrophobicContact CG1-CG 4.19Å; L8-V10 HydrophobicContact CB-CG2 4.09Å; L8-V10 PolarHBondContact O-N 3.11Å; L8-Y32 HydrophobicContact CB-CE1 4.42Å; L8-Y32 HydrophobicContact CD1-CE1 4.12Å; L8-I128 HydrophobicContact CD1-CG2 4.06Å; L8-I128 HydrophobicContact CG-CG2 4.31Å; L8-H132 WeakPolarHBondContact CD1-O 3.25Å; L8-V133 HydrophobicContact CD1-CG1 3.86Å; L8-C179 WeakPolarHBondContact CB-O 3.42Å; L8-C179 WeakPolarHBondContact CG-O 3.38Å; L8-C179 PolarHBondContact N-O 3.16Å
9N96.4Very high87.8Confident148 Ų14881.7 Ų81.779%0.79141%0.414SS*.  trans-79.560.2-178.8-169.532.9000111.9
10V97.7Very high88.1Confident6 Ų678.4 Ų78.44%0.03640%0.397CS..PPolyproline II helixtrans-76.1125.3176.1-174.70000108.5L8 M28 Y32 V133 V177 C179 N191L8-V10 HydrophobicContact CB-CG2 4.09Å; L8-V10 PolarHBondContact O-N 3.11Å; V10-M28 HydrophobicContact CG1-CB 4.09Å; V10-Y32 HydrophobicContact CB-CG 4.49Å; V10-Y32 HydrophobicContact CG2-CD1 3.82Å; V10-Y32 HydrophobicContact CG2-CD2 4.36Å; V10-Y32 HydrophobicContact CG2-CE1 4.27Å; V10-Y32 HydrophobicContact CG2-CG 3.92Å; V10-V133 HydrophobicContact CG2-CG1 3.61Å; V10-V177 HydrophobicContact CG1-CG1 4.26Å; V10-C179 HydrophobicContact CB-CB 4.12Å; V10-C179 HydrophobicContact CG2-CB 3.58Å; V10-N191 PolarHBondContact O-ND2 3.33Å
11P96Very high88.5Confident36 Ų3675.2 Ų75.223%0.23438%0.382CS..PPolyproline II helixtrans-63.9142.3179.527.1-32.4000110.6M28 K31 N191P11-M28 WeakPolarHBondContact O-CB 3.37Å; P11-M28 WeakPolarHBondContact O-CG 3.5Å; P11-M28 VanDerWaalsContact O-SD 3.4Å; P11-K31 HydrophobicContact CB-CD 4.16Å; P11-K31 HydrophobicContact CG-CB 3.72Å; P11-K31 HydrophobicContact CG-CD 3.76Å; P11-K31 HydrophobicContact CG-CG 3.75Å; P11-N191 PolarHBondContact O-ND2 2.96Å
12V95.1Very high90.8Very high40 Ų4064.3 Ų64.324%0.24233%0.329CS..PPolyproline II helixtrans-87.5128.1175.3-174.50000109N191 Y195V12-N191 HydrophobicContact CG2-CB 4.49Å; V12-Y195 WeakPolarHBondContact CG1-O 3.41Å
13I95.3Very high92.8Very high39 Ų3961.8 Ų61.820%0.231%0.309CS..  trans-127.4123.6174.3-60.9175.7000107.6R27 M28 K31I13-R27 HydrophobicContact CD1-CB 3.65Å; I13-M28 HydrophobicContact CB-CG 3.69Å; I13-M28 HydrophobicContact CB-SD 4.48Å; I13-M28 HydrophobicContact CD1-CG 4.22Å; I13-M28 HydrophobicContact CG1-CG 3.89Å; I13-M28 PolarHBondContact N-SD 2.95Å; I13-K31 HydrophobicContact CD1-CD 4.48Å
14R93.5Very high94Very high149 Ų14957.1 Ų57.156%0.56228%0.284SS*.  trans-78.2135.5178.5-166.7-174.9175.6176.3-2.6110.4P193R14-P193 CarbonylContact C-O 3.52Å; R14-P193 VanDerWaalsContact CA-O 3.25Å; R14-P193 WeakPolarHBondContact CA-O 3.5Å; R14-P193 WeakPolarHBondContact CG-O 3.36Å
15Q93.5Very high94.6Very high29 Ų2953.9 Ų53.914%0.13627%0.267CS..  trans-62.9146168.473.8-171.682.600110.6Y17 D20 A24 H174 P193Q15-Y17 PolarHBondContact NE2-O 2.94Å; Q15-D20 WeakPolarHBondContact CB-OD1 3.45Å; Q15-A24 HydrophobicContact CB-CB 4Å; Q15-H174 PolarHBondContact OE1-CE1 3.49Å; Q15-H174 VanDerWaalsContact OE1-CE1 3.3Å; Q15-P193 HydrophobicContact CB-CB 4.18Å; Q15-P193 PolarHBondContact N-O 3.47Å
16L89.4Confident94.7Very high134 Ų13452.1 Ų52.170%0.70225%0.253SS*.SBendtrans-97.4-25.6-177.8-61.1-178.3000112.3D20L16-D20 PolarHBondContact N-OD1 3.36Å; L16-D20 PolarHBondContact N-OD2 3.13Å
17Y88.8Confident94.7Very high138 Ų13854.3 Ų54.354%0.54126%0.258SS..SBendtrans-125.3178-177-56.5-75.2000110.6Q15 W19 D20Q15-Y17 PolarHBondContact NE2-O 2.94Å; Y17-W19 VanDerWaalsContact C-N 3.25Å; Y17-W19 HydrophobicContact CD2-CZ2 4.07Å; Y17-W19 HydrophobicContact CG-CZ2 4.47Å; Y17-W19 AromaticContact CG-NE1 3.78Å; Y17-W19 PolarHBondContact O-N 3.32Å; Y17-D20 VanDerWaalsContact CA-OD1 3.25Å; Y17-D20 WeakPolarHBondContact CA-OD1 3.4Å; Y17-D20 WeakPolarHBondContact CB-OD1 3.01Å; Y17-D20 PolarHBondContact N-OD1 2.82Å; Y17-D20 PolarHBondContact N-OD2 3.29Å
18H82.5Confident94.8Very high120 Ų12049.6 Ų49.656%0.55623%0.234SC*.SBendtrans-78.2-13178.859.7-87.2000113.1F157H18-F157 HydrophobicContact CB-CD1 3.95Å; H18-F157 HydrophobicContact CB-CE1 3.4Å; H18-F157 HydrophobicContact CB-CE2 4.33Å; H18-F157 HydrophobicContact CB-CZ 3.62Å
19W87.4Confident94.8Very high57 Ų5748.5 Ų48.522%0.21623%0.228CC..SBendtrans-114.5-14.5-170.159.8-99.5000114.1Y17 C21 L23 Q52 V54Y17-W19 VanDerWaalsContact C-N 3.25Å; Y17-W19 HydrophobicContact CD2-CZ2 4.07Å; Y17-W19 HydrophobicContact CG-CZ2 4.47Å; Y17-W19 AromaticContact CG-NE1 3.78Å; Y17-W19 PolarHBondContact O-N 3.32Å; W19-C21 PolarHBondContact O-N 3.49Å; W19-L23 HydrophobicContact CH2-CD1 4.22Å; W19-L23 HydrophobicContact CZ3-CD1 3.69Å; W19-Q52 WeakPolarHBondContact CB-O 3.38Å; W19-Q52 HydrophobicContact CD2-CB 3.8Å; W19-Q52 HydrophobicContact CD2-CG 4Å; W19-Q52 HydrophobicContact CE3-CB 4.19Å; W19-Q52 HydrophobicContact CE3-CG 4.45Å; W19-Q52 HydrophobicContact CG-CB 3.94Å; W19-Q52 HydrophobicContact CG-CG 4.44Å; W19-Q52 HydrophobicContact CH2-CG 4.33Å; W19-Q52 HydrophobicContact CZ2-CG 3.86Å; W19-V54 HydrophobicContact CE3-CG2 4.05Å; W19-V54 HydrophobicContact CZ3-CG2 4.15Å
20D93.3Very high94.9Very high16 Ų1641.7 Ų41.79%0.08619%0.192CC..  trans-94.715.7-170.569-36.5000113.5Q15 L16 Y17 G22 L23 A24Q15-D20 WeakPolarHBondContact CB-OD1 3.45Å; L16-D20 PolarHBondContact N-OD1 3.36Å; L16-D20 PolarHBondContact N-OD2 3.13Å; Y17-D20 VanDerWaalsContact CA-OD1 3.25Å; Y17-D20 WeakPolarHBondContact CA-OD1 3.4Å; Y17-D20 WeakPolarHBondContact CB-OD1 3.01Å; Y17-D20 PolarHBondContact N-OD1 2.82Å; Y17-D20 PolarHBondContact N-OD2 3.29Å; D20-G22 VanDerWaalsContact C-N 3.27Å; D20-G22 PolarHBondContact O-N 3.15Å; D20-L23 HydrophobicContact CB-CB 4.38Å; D20-L23 HydrophobicContact CB-CD1 4.4Å; D20-L23 PolarHBondContact O-N 3.34Å; D20-A24 PolarHBondContact O-N 2.85Å
21C96.4Very high94.8Very high11 Ų1147.8 Ų47.87%0.07422%0.218CC..Hα-helixtrans-55.9-40.3178.959.60000112.4W19 A24 C25 P193W19-C21 PolarHBondContact O-N 3.49Å; C21-A24 PolarHBondContact O-N 3.48Å; C21-C25 WeakPolarHBondContact O-CB 3.48Å; C21-C25 PolarHBondContact O-N 2.96Å; C21-C25 PolarHBondContact O-SG 3.29Å; C21-P193 HydrophobicContact CB-CG 3.83Å
22G97.9Very high94.8Very high0 Ų048.6 Ų48.60%022%0.216CC..Hα-helixtrans-65.4-36.1175.300000113.6D20 C25 S26D20-G22 VanDerWaalsContact C-N 3.27Å; D20-G22 PolarHBondContact O-N 3.15Å; G22-C25 PolarHBondContact O-N 2.81Å; G22-S26 WeakPolarHBondContact O-CB 3.43Å; G22-S26 PolarHBondContact O-N 2.89Å; G22-S26 PolarHBondContact O-OG 3.23Å
23L98.3Very high94.8Very high21 Ų2147.6 Ų47.611%0.1121%0.209CC..Hα-helixtrans-72.2-39.7175.8-59.5-176000111.4W19 D20 C25 S26 R27 F41 L50 V54 L59 L62W19-L23 HydrophobicContact CH2-CD1 4.22Å; W19-L23 HydrophobicContact CZ3-CD1 3.69Å; D20-L23 HydrophobicContact CB-CB 4.38Å; D20-L23 HydrophobicContact CB-CD1 4.4Å; D20-L23 PolarHBondContact O-N 3.34Å; L23-C25 VanDerWaalsContact C-N 3.35Å; L23-S26 WeakPolarHBondContact O-CB 3.43Å; L23-S26 PolarHBondContact O-N 2.91Å; L23-R27 WeakPolarHBondContact O-CG 3.27Å; L23-R27 PolarHBondContact O-N 2.85Å; L23-F41 HydrophobicContact CB-CZ 4.37Å; L23-L50 HydrophobicContact CD2-CD1 3.84Å; L23-V54 HydrophobicContact CD1-CG2 4.43Å; L23-V54 HydrophobicContact CD2-CG1 4.36Å; L23-V54 HydrophobicContact CD2-CG2 4.45Å; L23-V54 HydrophobicContact CG-CG2 4.22Å; L23-L59 HydrophobicContact CD2-CD2 4.14Å; L23-L62 HydrophobicContact CD2-CD2 4.19Å
24A97.9Very high94.7Very high4 Ų448.2 Ų48.23%0.03321%0.211CC..Hα-helixtrans-59.9-45.8172.200000110.9Q15 D20 C21 S26 R27 M28 P193Q15-A24 HydrophobicContact CB-CB 4Å; D20-A24 PolarHBondContact O-N 2.85Å; C21-A24 PolarHBondContact O-N 3.48Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 2.77Å; A24-R27 PolarHBondContact O-N 2.82Å; A24-M28 WeakPolarHBondContact O-CG 3.34Å; A24-M28 PolarHBondContact O-N 3.26Å; A24-P193 HydrophobicContact CB-CB 3.76Å
25C98.7Very high94.7Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-57.8-44171.9-71.60000112.5C21 G22 L23 R27 M28 V29 I135 F175 V177C21-C25 WeakPolarHBondContact O-CB 3.48Å; C21-C25 PolarHBondContact O-N 2.96Å; C21-C25 PolarHBondContact O-SG 3.29Å; G22-C25 PolarHBondContact O-N 2.81Å; L23-C25 VanDerWaalsContact C-N 3.35Å; C25-R27 VanDerWaalsContact C-N 3.35Å; C25-R27 PolarHBondContact O-N 3.01Å; C25-M28 HydrophobicContact CB-CE 4.33Å; C25-M28 WeakPolarHBondContact O-CB 3.38Å; C25-M28 PolarHBondContact O-N 3.23Å; C25-M28 VanDerWaalsContact O-N 3.15Å; C25-V29 PolarHBondContact O-N 2.82Å; C25-I135 HydrophobicContact CB-CD1 3.99Å; C25-I135 HydrophobicContact CB-CG1 4.06Å; C25-I135 HydrophobicContact CB-CG2 3.95Å; C25-F175 PolarHBondContact SG-O 3.1Å; C25-V177 HydrophobicContact CB-CG2 3.67Å
26S98.6Very high94.7Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-59.2-44.2176.1-61.90000111.9G22 L23 A24 M28 V29 L30G22-S26 WeakPolarHBondContact O-CB 3.43Å; G22-S26 PolarHBondContact O-N 2.89Å; G22-S26 PolarHBondContact O-OG 3.23Å; L23-S26 WeakPolarHBondContact O-CB 3.43Å; L23-S26 PolarHBondContact O-N 2.91Å; A24-S26 VanDerWaalsContact C-N 3.34Å; A24-S26 PolarHBondContact O-N 2.77Å; S26-M28 VanDerWaalsContact C-N 3.34Å; S26-M28 PolarHBondContact O-N 3.26Å; S26-V29 VanDerWaalsContact O-CG2 3.22Å; S26-V29 WeakPolarHBondContact O-CG2 3.13Å; S26-V29 PolarHBondContact O-N 3.21Å; S26-L30 WeakPolarHBondContact O-CB 3.46Å; S26-L30 WeakPolarHBondContact O-CD1 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.28Å; S26-L30 PolarHBondContact O-N 3.33Å
27R98.1Very high95.1Very high70 Ų7042.1 Ų42.126%0.26420%0.202SC..Hα-helixtrans-63.6-38.2175.1-67-179.773.2158.94.9112.4I13 L23 A24 C25 K31 D38 F41I13-R27 HydrophobicContact CD1-CB 3.65Å; L23-R27 WeakPolarHBondContact O-CG 3.27Å; L23-R27 PolarHBondContact O-N 2.85Å; A24-R27 PolarHBondContact O-N 2.82Å; C25-R27 VanDerWaalsContact C-N 3.35Å; C25-R27 PolarHBondContact O-N 3.01Å; R27-K31 VanDerWaalsContact O-CB 3.27Å; R27-K31 WeakPolarHBondContact O-CB 3.32Å; R27-K31 PolarHBondContact O-N 3.28Å; R27-D38 IonicContact CZ-OD1 2.9Å; R27-D38 IonicContact CZ-OD2 2.72Å; R27-D38 IonicContact NH2-OD1 3.74Å; R27-D38 PolarHBondContact NH2-OD1 2.87Å; R27-D38 IonicContact NH2-OD2 2.56Å; R27-D38 PolarHBondContact NH2-OD2 3.4Å; R27-F41 HydrophobicContact CG-CD1 4.2Å; R27-F41 HydrophobicContact CG-CD2 4.14Å; R27-F41 HydrophobicContact CG-CE1 3.8Å; R27-F41 HydrophobicContact CG-CE2 3.73Å; R27-F41 HydrophobicContact CG-CG 4.35Å; R27-F41 HydrophobicContact CG-CZ 3.55Å
28M98.1Very high95.4Very high0 Ų039.7 Ų39.70%020%0.198CC..Hα-helixtrans-61.8-49.1176.6-69.9-169.2-87.300111.5V10 P11 I13 A24 C25 S26 Y32 V177 N191 P193V10-M28 HydrophobicContact CG1-CB 4.09Å; P11-M28 WeakPolarHBondContact O-CB 3.37Å; P11-M28 WeakPolarHBondContact O-CG 3.5Å; P11-M28 VanDerWaalsContact O-SD 3.4Å; I13-M28 HydrophobicContact CB-CG 3.69Å; I13-M28 HydrophobicContact CB-SD 4.48Å; I13-M28 HydrophobicContact CD1-CG 4.22Å; I13-M28 HydrophobicContact CG1-CG 3.89Å; I13-M28 PolarHBondContact N-SD 2.95Å; A24-M28 WeakPolarHBondContact O-CG 3.34Å; A24-M28 PolarHBondContact O-N 3.26Å; C25-M28 HydrophobicContact CB-CE 4.33Å; C25-M28 WeakPolarHBondContact O-CB 3.38Å; C25-M28 PolarHBondContact O-N 3.23Å; C25-M28 VanDerWaalsContact O-N 3.15Å; S26-M28 VanDerWaalsContact C-N 3.34Å; S26-M28 PolarHBondContact O-N 3.26Å; M28-Y32 PolarHBondContact O-N 3.02Å; M28-V177 HydrophobicContact CB-CG2 4.2Å; M28-V177 HydrophobicContact CE-CG2 3.93Å; M28-N191 HydrophobicContact CE-CB 4.21Å; M28-N191 HydrophobicContact SD-CB 3.64Å; M28-P193 HydrophobicContact CE-CB 3.91Å; M28-P193 HydrophobicContact CE-CG 4.46Å
29V98Very high96.1Very high1 Ų141 Ų411%0.00621%0.205CC..Hα-helixtrans-69.2-38.9-178.5-56.40000112.1C25 S26 Y32 L33 M63 V133 I135 V177 I223C25-V29 PolarHBondContact O-N 2.82Å; S26-V29 VanDerWaalsContact O-CG2 3.22Å; S26-V29 WeakPolarHBondContact O-CG2 3.13Å; S26-V29 PolarHBondContact O-N 3.21Å; V29-Y32 PolarHBondContact O-N 3.46Å; V29-L33 PolarHBondContact O-N 2.86Å; V29-M63 HydrophobicContact CG2-CE 4.06Å; V29-M63 HydrophobicContact CG2-SD 4.4Å; V29-V133 HydrophobicContact CB-CG2 3.73Å; V29-V133 HydrophobicContact CG1-CB 4.41Å; V29-V133 HydrophobicContact CG1-CG2 3.53Å; V29-I135 HydrophobicContact CG1-CD1 4.24Å; V29-I135 HydrophobicContact CG1-CG1 3.89Å; V29-I135 HydrophobicContact CG2-CD1 3.95Å; V29-I135 HydrophobicContact CG2-CG1 4.46Å; V29-V177 HydrophobicContact CG1-CB 4.45Å; V29-V177 HydrophobicContact CG1-CG1 3.71Å; V29-V177 HydrophobicContact CG1-CG2 3.83Å; V29-I223 HydrophobicContact CB-CD1 4.47Å; V29-I223 HydrophobicContact CG1-CD1 4.27Å; V29-I223 HydrophobicContact CG2-CD1 4.26Å; V29-I223 HydrophobicContact CG2-CG1 4.31Å
30L97.6Very high96.6Very high5 Ų543.6 Ų43.63%0.02622%0.219CC..Hα-helixtrans-62.9-48.4175.5-71.7166.1000110.8S26 Y32 L33 H34 P35 V36 F41 M63 L66 V68S26-L30 WeakPolarHBondContact O-CB 3.46Å; S26-L30 WeakPolarHBondContact O-CD1 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.28Å; S26-L30 PolarHBondContact O-N 3.33Å; L30-Y32 PolarHBondContact O-N 2.99Å; L30-Y32 VanDerWaalsContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.49Å; L30-H34 CarbonylContact C-O 3.54Å; L30-H34 CarbonylContact O-C 3.54Å; L30-H34 WeakPolarHBondContact O-CA 3.25Å; L30-H34 PolarHBondContact O-N 3.34Å; L30-P35 WeakPolarHBondContact O-CA 2.96Å; L30-V36 HydrophobicContact CB-CG2 4.45Å; L30-V36 HydrophobicContact CD1-CG2 4.06Å; L30-F41 HydrophobicContact CD1-CD2 3.53Å; L30-F41 HydrophobicContact CD1-CE2 3.63Å; L30-M63 HydrophobicContact CD2-SD 4.34Å; L30-L66 HydrophobicContact CD1-CD1 3.52Å; L30-L66 HydrophobicContact CD2-CD1 4.02Å; L30-L66 HydrophobicContact CG-CD1 4.43Å; L30-V68 HydrophobicContact CD2-CG2 3.64Å
31K96.6Very high96.8Very high134 Ų13443.2 Ų43.258%0.58322%0.217SC*.Hα-helixtrans-61.5-24.8178.8-168.1171.8-179.6172.90113.2P11 I13 R27P11-K31 HydrophobicContact CB-CD 4.16Å; P11-K31 HydrophobicContact CG-CB 3.72Å; P11-K31 HydrophobicContact CG-CD 3.76Å; P11-K31 HydrophobicContact CG-CG 3.75Å; I13-K31 HydrophobicContact CD1-CD 4.48Å; R27-K31 VanDerWaalsContact O-CB 3.27Å; R27-K31 WeakPolarHBondContact O-CB 3.32Å; R27-K31 PolarHBondContact O-N 3.28Å
32Y96.8Very high96.8Very high53 Ų5347.8 Ų47.821%0.20824%0.237CC..Hα-helixtrans-84.9-45.5175.3175.3-118.2000113.5L8 V10 M28 V29 L30 G131 V133L8-Y32 HydrophobicContact CB-CE1 4.42Å; L8-Y32 HydrophobicContact CD1-CE1 4.12Å; V10-Y32 HydrophobicContact CB-CG 4.49Å; V10-Y32 HydrophobicContact CG2-CD1 3.82Å; V10-Y32 HydrophobicContact CG2-CD2 4.36Å; V10-Y32 HydrophobicContact CG2-CE1 4.27Å; V10-Y32 HydrophobicContact CG2-CG 3.92Å; M28-Y32 PolarHBondContact O-N 3.02Å; V29-Y32 PolarHBondContact O-N 3.46Å; L30-Y32 PolarHBondContact O-N 2.99Å; L30-Y32 VanDerWaalsContact O-N 3.1Å; Y32-G131 WeakPolarHBondContact CE1-O 3.22Å; Y32-G131 PolarHBondContact OH-O 3.3Å; Y32-G131 VanDerWaalsContact OH-O 3.12Å; Y32-V133 HydrophobicContact CD1-CG1 3.71Å; Y32-V133 HydrophobicContact CD1-CG2 4.41Å; Y32-V133 HydrophobicContact CE1-CG1 3.71Å
33L94.3Very high96.8Very high18 Ų1849.3 Ų49.39%0.09425%0.253CS..Hα-helixtrans-103.2-33.5-169.9-66.2-174.9000114.9V29 L30 V133 I223 K225V29-L33 PolarHBondContact O-N 2.86Å; L30-L33 PolarHBondContact O-N 3.49Å; L33-V133 HydrophobicContact CD1-CG2 3.67Å; L33-V133 HydrophobicContact CG-CG2 4.24Å; L33-I223 HydrophobicContact CD1-CB 4.1Å; L33-I223 HydrophobicContact CD1-CG2 3.64Å; L33-K225 HydrophobicContact CD2-CB 3.6Å; L33-K225 HydrophobicContact CD2-CD 4.01Å; L33-K225 HydrophobicContact CD2-CG 3.7Å
34H92.4Very high96.8Very high53 Ų5348.6 Ų48.625%0.24525%0.25CS..SBendtrans-154.575.7-171.6-167.587.1000109.6L30 V36 V68L30-H34 CarbonylContact C-O 3.54Å; L30-H34 CarbonylContact O-C 3.54Å; L30-H34 WeakPolarHBondContact O-CA 3.25Å; L30-H34 PolarHBondContact O-N 3.34Å; H34-V36 PolarHBondContact O-N 2.86Å; H34-V68 HydrophobicContact CB-CG2 3.95Å
35P93.3Very high96.8Very high102 Ų10249 Ų4966%0.66225%0.253SS*.  trans-61124.8-174.3-23.734.1000111.1L30L30-P35 WeakPolarHBondContact O-CA 2.96Å
36V95.2Very high96.7Very high36 Ų3659 Ų5922%0.21829%0.291CS..  trans-116.4154.4172.8-61.20000109.3L30 H34 E40 F41 L66L30-V36 HydrophobicContact CB-CG2 4.45Å; L30-V36 HydrophobicContact CD1-CG2 4.06Å; H34-V36 PolarHBondContact O-N 2.86Å; V36-E40 HydrophobicContact CB-CB 4.24Å; V36-F41 HydrophobicContact CG2-CB 4.18Å; V36-L66 HydrophobicContact CG1-CD2 4.43Å
37S96.7Very high96.7Very high46 Ų4665.2 Ų65.232%0.32232%0.32SS..  trans-66.2160.1171.462.60000111.6E39 E40 F41S37-E39 PolarHBondContact O-N 3.49Å; S37-E40 WeakPolarHBondContact CB-OE2 3.3Å; S37-E40 PolarHBondContact N-OE2 3.17Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 WeakPolarHBondContact OG-CB 3.37Å; S37-E40 VanDerWaalsContact OG-CD 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.95Å; S37-E40 VanDerWaalsContact OG-N 3.16Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; S37-F41 PolarHBondContact O-N 3.26Å
38D94.9Very high96.6Very high87 Ų8764 Ų6447%0.46532%0.318SS..Hα-helixtrans-64.7-34.6175.6-83.97.4000110.6R27 F41 Q42R27-D38 IonicContact CZ-OD1 2.9Å; R27-D38 IonicContact CZ-OD2 2.72Å; R27-D38 IonicContact NH2-OD1 3.74Å; R27-D38 PolarHBondContact NH2-OD1 2.87Å; R27-D38 IonicContact NH2-OD2 2.56Å; R27-D38 PolarHBondContact NH2-OD2 3.4Å; D38-F41 PolarHBondContact O-N 3.23Å; D38-Q42 WeakPolarHBondContact O-CB 3.49Å; D38-Q42 VanDerWaalsContact O-CG 3.23Å; D38-Q42 WeakPolarHBondContact O-CG 3.18Å; D38-Q42 PolarHBondContact O-N 2.68Å
39E97.4Very high96.5Very high148 Ų14872.2 Ų72.269%0.69235%0.354SS*.Hα-helixtrans-63.5-44.8175.2-65.375.5-164.700112.2S37 Q42 G43S37-E39 PolarHBondContact O-N 3.49Å; E39-Q42 PolarHBondContact O-N 2.83Å; E39-G43 PolarHBondContact O-N 3.15Å
40E97.7Very high96.3Very high111 Ų11173.9 Ų73.952%0.51936%0.362SS..Hα-helixtrans-63.6-43.7176.2-75.4165.2133.300111.6V36 S37 G43 A44V36-E40 HydrophobicContact CB-CB 4.24Å; S37-E40 WeakPolarHBondContact CB-OE2 3.3Å; S37-E40 PolarHBondContact N-OE2 3.17Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 WeakPolarHBondContact OG-CB 3.37Å; S37-E40 VanDerWaalsContact OG-CD 3.25Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.95Å; S37-E40 VanDerWaalsContact OG-N 3.16Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; E40-G43 PolarHBondContact O-N 3.31Å; E40-A44 WeakPolarHBondContact O-CB 3.28Å; E40-A44 PolarHBondContact O-N 3.15Å
41F97.9Very high96Very high7 Ų776 Ų763%0.03138%0.376CS..Hα-helixtrans-62.4-47.9177.5-174.9-92000111.7L23 R27 L30 V36 S37 D38 G43 A44 C45 L62 L66L23-F41 HydrophobicContact CB-CZ 4.37Å; R27-F41 HydrophobicContact CG-CD1 4.2Å; R27-F41 HydrophobicContact CG-CD2 4.14Å; R27-F41 HydrophobicContact CG-CE1 3.8Å; R27-F41 HydrophobicContact CG-CE2 3.73Å; R27-F41 HydrophobicContact CG-CG 4.35Å; R27-F41 HydrophobicContact CG-CZ 3.55Å; L30-F41 HydrophobicContact CD1-CD2 3.53Å; L30-F41 HydrophobicContact CD1-CE2 3.63Å; V36-F41 HydrophobicContact CG2-CB 4.18Å; S37-F41 PolarHBondContact O-N 3.26Å; D38-F41 PolarHBondContact O-N 3.23Å; F41-G43 VanDerWaalsContact C-N 3.35Å; F41-A44 PolarHBondContact O-N 3.22Å; F41-C45 PolarHBondContact O-N 2.73Å; F41-C45 PolarHBondContact O-SG 3.16Å; F41-L62 HydrophobicContact CE2-CD2 3.75Å; F41-L62 HydrophobicContact CZ-CD2 3.92Å; F41-L66 HydrophobicContact CD2-CD1 4.22Å
42Q96.9Very high95.7Very high107 Ų10776.1 Ų76.150%0.538%0.378SS..Hα-helixtrans-65.8-38.9178.2-67.5-58.6-26.900111.8D38 E39 C45 W46D38-Q42 WeakPolarHBondContact O-CB 3.49Å; D38-Q42 VanDerWaalsContact O-CG 3.23Å; D38-Q42 WeakPolarHBondContact O-CG 3.18Å; D38-Q42 PolarHBondContact O-N 2.68Å; E39-Q42 PolarHBondContact O-N 2.83Å; Q42-C45 PolarHBondContact O-N 3.22Å; Q42-W46 WeakPolarHBondContact O-CB 3.32Å; Q42-W46 PolarHBondContact O-N 3.42Å
43G98.3Very high95.4Very high33 Ų3375 Ų7534%0.3438%0.379SS..Hα-helixtrans-58.9-46.1173.700000112E39 E40 F41 W46 E47E39-G43 PolarHBondContact O-N 3.15Å; E40-G43 PolarHBondContact O-N 3.31Å; F41-G43 VanDerWaalsContact C-N 3.35Å; G43-W46 PolarHBondContact O-N 3.01Å; G43-E47 WeakPolarHBondContact O-CG 3.37Å; G43-E47 PolarHBondContact O-N 2.92Å
44A98.1Very high95.4Very high6 Ų675.1 Ų75.15%0.0538%0.38CS..Hα-helixtrans-62.8-44176.400000112.4E40 F41 W46 E47 L48 L62 Q65 L66E40-A44 WeakPolarHBondContact O-CB 3.28Å; E40-A44 PolarHBondContact O-N 3.15Å; F41-A44 PolarHBondContact O-N 3.22Å; A44-W46 VanDerWaalsContact C-N 3.3Å; A44-W46 PolarHBondContact O-N 3.4Å; A44-E47 PolarHBondContact O-N 2.93Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 VanDerWaalsContact O-CG 3.28Å; A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 3.36Å; A44-L62 HydrophobicContact CB-CD1 3.69Å; A44-Q65 HydrophobicContact CB-CB 4.5Å; A44-Q65 HydrophobicContact CB-CG 3.82Å; A44-L66 HydrophobicContact CB-CD2 3.68Å; A44-L66 HydrophobicContact CB-CG 3.99Å
45C97.7Very high95.6Very high13 Ų1373.8 Ų73.89%0.08837%0.373CS..Hα-helixtrans-59.4-40.5174.7-69.80000112.3F41 Q42 K49 L50F41-C45 PolarHBondContact O-N 2.73Å; F41-C45 PolarHBondContact O-SG 3.16Å; Q42-C45 PolarHBondContact O-N 3.22Å; C45-K49 PolarHBondContact O-N 2.96Å; C45-L50 HydrophobicContact CB-CD1 4.13Å; C45-L50 HydrophobicContact CB-CG 4.49Å; C45-L50 PolarHBondContact O-N 2.97Å
46W97.2Very high95.8Very high209 Ų20969 Ų6979%0.79234%0.342SS*.Hα-helixtrans-67.7-48.4178.5179.4-92.6000112.5Q42 G43 A44 L48 K49Q42-W46 WeakPolarHBondContact O-CB 3.32Å; Q42-W46 PolarHBondContact O-N 3.42Å; G43-W46 PolarHBondContact O-N 3.01Å; A44-W46 VanDerWaalsContact C-N 3.3Å; A44-W46 PolarHBondContact O-N 3.4Å; W46-L48 VanDerWaalsContact C-N 3.28Å; W46-L48 PolarHBondContact O-N 3.04Å; W46-K49 WeakPolarHBondContact O-CA 3.17Å; W46-K49 PolarHBondContact O-N 3.37Å
47E97.3Very high95.9Very high130 Ų13067.3 Ų67.361%0.60733%0.332SS*.Hα-helixtrans-61.1-38.2178.7-73.3-60.5143.600112.1G43 A44 K49G43-E47 WeakPolarHBondContact O-CG 3.37Å; G43-E47 PolarHBondContact O-N 2.92Å; A44-E47 PolarHBondContact O-N 2.93Å; E47-K49 PolarHBondContact O-N 3.12Å
48L96.8Very high96Very high44 Ų4465.3 Ų65.323%0.2332%0.317CS..THydrogen-bonded Turntrans-76.1-7.5174.6-67.4174.2000113.4A44 W46 L50 Y61 L62 Q65A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 VanDerWaalsContact O-CG 3.28Å; A44-L48 WeakPolarHBondContact O-CG 3.37Å; A44-L48 PolarHBondContact O-N 3.36Å; W46-L48 VanDerWaalsContact C-N 3.28Å; W46-L48 PolarHBondContact O-N 3.04Å; L48-L50 HydrophobicContact CB-CD2 3.88Å; L48-L50 HydrophobicContact CB-CG 4.01Å; L48-L50 PolarHBondContact O-N 3.4Å; L48-Y61 HydrophobicContact CD2-CD1 4.2Å; L48-L62 HydrophobicContact CD1-CB 4.07Å; L48-L62 HydrophobicContact CD1-CD1 4.16Å; L48-Q65 HydrophobicContact CD1-CB 4.01Å; L48-Q65 HydrophobicContact CD1-CG 4.42Å; L48-Q65 HydrophobicContact CD2-CB 4.49Å; L48-Q65 HydrophobicContact CG-CB 4.4Å; L48-Q65 HydrophobicContact CG-CG 4.42Å
49K95.6Very high96.2Very high174 Ų17461.2 Ų61.276%0.75730%0.295SS*.THydrogen-bonded Turntrans53.642.1-177.5-54.9177.7-176.8177.20112.1C45 W46 E47 T51C45-K49 PolarHBondContact O-N 2.96Å; W46-K49 WeakPolarHBondContact O-CA 3.17Å; W46-K49 PolarHBondContact O-N 3.37Å; E47-K49 PolarHBondContact O-N 3.12Å; K49-T51 PolarHBondContact O-N 2.81Å
50L94.2Very high96.3Very high35 Ų3554.1 Ų54.118%0.18326%0.262CS..  trans-59134.8179.5-61.8-170.2000110.4L23 C45 L48 D58 L62L23-L50 HydrophobicContact CD2-CD1 3.84Å; C45-L50 HydrophobicContact CB-CD1 4.13Å; C45-L50 HydrophobicContact CB-CG 4.49Å; C45-L50 PolarHBondContact O-N 2.97Å; L48-L50 HydrophobicContact CB-CD2 3.88Å; L48-L50 HydrophobicContact CB-CG 4.01Å; L48-L50 PolarHBondContact O-N 3.4Å; L50-D58 HydrophobicContact CD2-CB 3.82Å; L50-L62 HydrophobicContact CD1-CD2 4.49Å
51T90.9Very high96.3Very high51 Ų5149.8 Ų49.831%0.31324%0.241SC..  trans-99.6-177.3-179.375.60000110.5K49 S53 V54K49-T51 PolarHBondContact O-N 2.81Å; T51-S53 PolarHBondContact O-N 3.47Å; T51-S53 PolarHBondContact OG1-N 2.94Å; T51-S53 PolarHBondContact OG1-O 3.27Å; T51-V54 WeakPolarHBondContact O-CG2 3.27Å
52Q90.6Very high96.3Very high135 Ų13549.5 Ų49.563%0.63124%0.24SC*.SBendtrans-76.66169.8-59.1-175.2-6.200112.9W19W19-Q52 WeakPolarHBondContact CB-O 3.38Å; W19-Q52 HydrophobicContact CD2-CB 3.8Å; W19-Q52 HydrophobicContact CD2-CG 4Å; W19-Q52 HydrophobicContact CE3-CB 4.19Å; W19-Q52 HydrophobicContact CE3-CG 4.45Å; W19-Q52 HydrophobicContact CG-CB 3.94Å; W19-Q52 HydrophobicContact CG-CG 4.44Å; W19-Q52 HydrophobicContact CH2-CG 4.33Å; W19-Q52 HydrophobicContact CZ2-CG 3.86Å
53S90.3Very high96.4Very high31 Ų3144.4 Ų44.422%0.21722%0.216CC..SBendtrans-115.689.7170.3-170.80000108.1T51 W55 E96 R99T51-S53 PolarHBondContact O-N 3.47Å; T51-S53 PolarHBondContact OG1-N 2.94Å; T51-S53 PolarHBondContact OG1-O 3.27Å; S53-W55 PolarHBondContact OG-NE1 2.8Å; S53-E96 WeakPolarHBondContact CB-OE2 3.39Å; S53-E96 PolarHBondContact OG-OE2 3.49Å; S53-R99 PolarHBondContact O-NH2 3.08Å; S53-R99 VanDerWaalsContact O-NH2 3.07Å
54V93.8Very high96.4Very high19 Ų1944.5 Ų44.512%0.11521%0.211CC..  trans-92.5120.4-176.1179.80000109.5W19 L23 T51 D58 L59W19-V54 HydrophobicContact CE3-CG2 4.05Å; W19-V54 HydrophobicContact CZ3-CG2 4.15Å; L23-V54 HydrophobicContact CD1-CG2 4.43Å; L23-V54 HydrophobicContact CD2-CG1 4.36Å; L23-V54 HydrophobicContact CD2-CG2 4.45Å; L23-V54 HydrophobicContact CG-CG2 4.22Å; T51-V54 WeakPolarHBondContact O-CG2 3.27Å; V54-D58 HydrophobicContact CG1-CB 4.35Å; V54-L59 HydrophobicContact CG1-CD2 3.45Å; V54-L59 VanDerWaalsContact CG1-CD2 3.45Å; V54-L59 HydrophobicContact CG1-CG 4.08Å
55W96.1Very high96.4Very high25 Ų2548.8 Ų48.810%0.09523%0.23CC..  trans-104.7163.6176.5-6962.6000111.1S53 I57 D58 L59 V79 Y89 E96 V100S53-W55 PolarHBondContact OG-NE1 2.8Å; W55-I57 HydrophobicContact CB-CG2 4.08Å; W55-I57 PolarHBondContact O-N 3.49Å; W55-D58 WeakPolarHBondContact CB-OD2 3.16Å; W55-D58 PolarHBondContact N-OD2 2.85Å; W55-D58 VanDerWaalsContact O-CB 3.26Å; W55-D58 WeakPolarHBondContact O-CB 3.37Å; W55-D58 PolarHBondContact O-N 2.95Å; W55-L59 PolarHBondContact O-N 3.32Å; W55-V79 HydrophobicContact CH2-CB 4.36Å; W55-V79 HydrophobicContact CH2-CG1 3.89Å; W55-V79 HydrophobicContact CH2-CG2 3.69Å; W55-V79 HydrophobicContact CZ2-CG2 4.38Å; W55-V79 HydrophobicContact CZ3-CG1 4.42Å; W55-V79 HydrophobicContact CZ3-CG2 3.82Å; W55-Y89 HydrophobicContact CH2-CD1 4.17Å; W55-Y89 HydrophobicContact CH2-CE1 4.07Å; W55-Y89 HydrophobicContact CZ2-CD1 4.05Å; W55-Y89 HydrophobicContact CZ2-CE1 4.12Å; W55-E96 HydrophobicContact CZ2-CB 4.38Å; W55-V100 HydrophobicContact CB-CG2 4.41Å; W55-V100 HydrophobicContact CD2-CG1 4.35Å; W55-V100 HydrophobicContact CD2-CG2 3.66Å; W55-V100 HydrophobicContact CE3-CG1 3.99Å; W55-V100 HydrophobicContact CE3-CG2 4.14Å; W55-V100 HydrophobicContact CG-CG2 3.77Å; W55-V100 HydrophobicContact CZ2-CG2 4.41Å; W55-V100 HydrophobicContact CZ3-CG1 4.34Å
56T98.2Very high96.4Very high2 Ų249 Ų491%0.01223%0.231CC..Hα-helixtrans-60.3-35179.6-43.80000112.1D58 L59 A60 F72 F175 D219 L221T56-D58 VanDerWaalsContact C-N 3.3Å; T56-D58 PolarHBondContact O-N 3.4Å; T56-L59 WeakPolarHBondContact O-CB 3.34Å; T56-L59 PolarHBondContact O-N 2.92Å; T56-A60 PolarHBondContact O-N 2.89Å; T56-F72 HydrophobicContact CG2-CD2 3.6Å; T56-F72 HydrophobicContact CG2-CE1 4.48Å; T56-F72 HydrophobicContact CG2-CE2 3.31Å; T56-F72 HydrophobicContact CG2-CG 4.36Å; T56-F72 HydrophobicContact CG2-CZ 3.81Å; T56-F175 HydrophobicContact CG2-CE1 4.36Å; T56-F175 VanDerWaalsContact OG1-CE1 3.31Å; T56-F175 WeakPolarHBondContact OG1-CE1 3.18Å; T56-F175 WeakPolarHBondContact OG1-CZ 3.46Å; T56-D219 WeakPolarHBondContact CB-OD2 3.49Å; T56-D219 HydrophobicContact CG2-CB 4.11Å; T56-D219 WeakPolarHBondContact OG1-CB 3.45Å; T56-D219 PolarHBondContact OG1-OD2 3.21Å; T56-L221 HydrophobicContact CG2-CB 4.2Å
57I98.3Very high96.3Very high1 Ų149.3 Ų49.31%0.00523%0.231CC..Hα-helixtrans-62.3-37174.3-168.561.6000111.8W55 L59 A60 Y61 F72 V100 L103 F104 A107 V112 V114W55-I57 HydrophobicContact CB-CG2 4.08Å; W55-I57 PolarHBondContact O-N 3.49Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.9Å; I57-A60 WeakPolarHBondContact O-CB 3.13Å; I57-A60 PolarHBondContact O-N 3.41Å; I57-Y61 HydrophobicContact CD1-CD2 4.19Å; I57-Y61 HydrophobicContact CD1-CE2 4.05Å; I57-Y61 HydrophobicContact CG1-CD2 4Å; I57-Y61 HydrophobicContact CG1-CE2 3.95Å; I57-Y61 WeakPolarHBondContact O-CD2 3.5Å; I57-Y61 PolarHBondContact O-N 3.01Å; I57-F72 HydrophobicContact CB-CE1 4.03Å; I57-F72 HydrophobicContact CD1-CD1 3.92Å; I57-F72 HydrophobicContact CD1-CE1 4.08Å; I57-V100 HydrophobicContact CG2-CG1 4.16Å; I57-L103 HydrophobicContact CG1-CB 3.91Å; I57-L103 HydrophobicContact CG2-CB 4.26Å; I57-L103 HydrophobicContact CG2-CD1 4Å; I57-F104 HydrophobicContact CB-CD2 4.37Å; I57-F104 HydrophobicContact CB-CE2 3.94Å; I57-F104 HydrophobicContact CB-CZ 4.13Å; I57-F104 HydrophobicContact CD1-CD1 4.25Å; I57-F104 HydrophobicContact CD1-CE1 4.27Å; I57-F104 HydrophobicContact CG1-CD2 4.24Å; I57-F104 HydrophobicContact CG1-CE2 4.28Å; I57-F104 HydrophobicContact CG1-CG 4.42Å; I57-F104 HydrophobicContact CG1-CZ 4.49Å; I57-F104 HydrophobicContact CG2-CD2 4.39Å; I57-F104 HydrophobicContact CG2-CE2 4.04Å; I57-A107 HydrophobicContact CD1-CB 4.47Å; I57-V112 HydrophobicContact CD1-CG1 4.19Å; I57-V114 HydrophobicContact CD1-CG2 3.74Å
58D98.4Very high96.2Very high4 Ų443.4 Ų43.42%0.02120%0.204CC..Hα-helixtrans-61.9-41.8175.2-65.9-52.4000110.9L50 V54 W55 T56 A60 Y61 L62 R99 L103L50-D58 HydrophobicContact CD2-CB 3.82Å; V54-D58 HydrophobicContact CG1-CB 4.35Å; W55-D58 WeakPolarHBondContact CB-OD2 3.16Å; W55-D58 PolarHBondContact N-OD2 2.85Å; W55-D58 VanDerWaalsContact O-CB 3.26Å; W55-D58 WeakPolarHBondContact O-CB 3.37Å; W55-D58 PolarHBondContact O-N 2.95Å; T56-D58 VanDerWaalsContact C-N 3.3Å; T56-D58 PolarHBondContact O-N 3.4Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.35Å; D58-Y61 PolarHBondContact O-N 3.39Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 2.84Å; D58-R99 IonicContact OD1-CZ 3.01Å; D58-R99 IonicContact OD1-NH1 2.98Å; D58-R99 PolarHBondContact OD1-NH1 2.83Å; D58-R99 IonicContact OD1-NH2 3.63Å; D58-R99 IonicContact OD2-CZ 2.72Å; D58-R99 IonicContact OD2-NH1 3.21Å; D58-R99 PolarHBondContact OD2-NH1 3.11Å; D58-R99 IonicContact OD2-NH2 2.77Å; D58-R99 PolarHBondContact OD2-NH2 3.08Å; D58-L103 WeakPolarHBondContact OD1-CD1 3.48Å
59L98.7Very high96.3Very high0 Ų046.6 Ų46.60%021%0.213CC..Hα-helixtrans-65.4-37.2176.2-54.3-173.3000111.7L23 V54 W55 T56 I57 L62 M63 I135 F175 L221L23-L59 HydrophobicContact CD2-CD2 4.14Å; V54-L59 HydrophobicContact CG1-CD2 3.45Å; V54-L59 VanDerWaalsContact CG1-CD2 3.45Å; V54-L59 HydrophobicContact CG1-CG 4.08Å; W55-L59 PolarHBondContact O-N 3.32Å; T56-L59 WeakPolarHBondContact O-CB 3.34Å; T56-L59 PolarHBondContact O-N 2.92Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.9Å; L59-L62 WeakPolarHBondContact O-CB 3.29Å; L59-L62 PolarHBondContact O-N 2.85Å; L59-M63 WeakPolarHBondContact O-CG 3.07Å; L59-M63 PolarHBondContact O-N 3.01Å; L59-I135 HydrophobicContact CD1-CD1 4.43Å; L59-I135 HydrophobicContact CD1-CG2 4.03Å; L59-F175 HydrophobicContact CD1-CD1 4.21Å; L59-F175 HydrophobicContact CD1-CD2 4.48Å; L59-F175 HydrophobicContact CD1-CE1 4.09Å; L59-F175 HydrophobicContact CD1-CE2 4.39Å; L59-F175 HydrophobicContact CD1-CG 4.39Å; L59-F175 HydrophobicContact CD1-CZ 4.2Å; L59-L221 HydrophobicContact CB-CD2 3.76Å
60A98.7Very high96.4Very high0 Ų039 Ų390%018%0.18CC..Hα-helixtrans-65.4-42.7175.500000111.7T56 I57 D58 L62 M63 C64 F72 V112 L221T56-A60 PolarHBondContact O-N 2.89Å; I57-A60 WeakPolarHBondContact O-CB 3.13Å; I57-A60 PolarHBondContact O-N 3.41Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.35Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.05Å; A60-M63 PolarHBondContact O-N 3.11Å; A60-C64 WeakPolarHBondContact O-CB 3.33Å; A60-C64 PolarHBondContact O-N 2.87Å; A60-F72 HydrophobicContact CB-CB 4.12Å; A60-F72 HydrophobicContact CB-CD1 4.36Å; A60-F72 HydrophobicContact CB-CG 4.49Å; A60-V112 HydrophobicContact CB-CG1 3.62Å; A60-L221 HydrophobicContact CB-CD1 3.94Å
61Y98.7Very high96.6Very high20 Ų2040.2 Ų40.28%0.07818%0.182CC..Hα-helixtrans-60.7-39.3171.2-90.9-95000111.9L48 I57 D58 C64 Q65 L103 A107 K110 V112L48-Y61 HydrophobicContact CD2-CD1 4.2Å; I57-Y61 HydrophobicContact CD1-CD2 4.19Å; I57-Y61 HydrophobicContact CD1-CE2 4.05Å; I57-Y61 HydrophobicContact CG1-CD2 4Å; I57-Y61 HydrophobicContact CG1-CE2 3.95Å; I57-Y61 WeakPolarHBondContact O-CD2 3.5Å; I57-Y61 PolarHBondContact O-N 3.01Å; D58-Y61 PolarHBondContact O-N 3.39Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 2.83Å; Y61-Q65 WeakPolarHBondContact O-CB 3.47Å; Y61-Q65 PolarHBondContact O-N 3.49Å; Y61-L103 HydrophobicContact CD1-CD2 4.45Å; Y61-L103 HydrophobicContact CD2-CD2 4.07Å; Y61-L103 HydrophobicContact CE1-CD2 4.17Å; Y61-L103 HydrophobicContact CE2-CB 3.88Å; Y61-L103 HydrophobicContact CE2-CD2 3.77Å; Y61-L103 HydrophobicContact CE2-CG 4.39Å; Y61-L103 WeakPolarHBondContact CE2-O 3.44Å; Y61-L103 HydrophobicContact CG-CD2 4.39Å; Y61-L103 PolarHBondContact OH-O 2.96Å; Y61-A107 HydrophobicContact CE2-CB 4.45Å; Y61-A107 WeakPolarHBondContact OH-CA 3.37Å; Y61-A107 PolarHBondContact OH-N 3.2Å; Y61-K110 HydrophobicContact CE1-CB 3.82Å; Y61-K110 HydrophobicContact CE1-CG 4Å; Y61-V112 HydrophobicContact CD1-CG2 3.76Å; Y61-V112 HydrophobicContact CD2-CB 4.44Å; Y61-V112 HydrophobicContact CD2-CG1 4.19Å; Y61-V112 HydrophobicContact CD2-CG2 3.77Å; Y61-V112 HydrophobicContact CE1-CG2 3.86Å; Y61-V112 HydrophobicContact CE2-CB 4.32Å; Y61-V112 HydrophobicContact CE2-CG1 4.35Å; Y61-V112 HydrophobicContact CE2-CG2 3.87Å; Y61-V112 HydrophobicContact CG-CG2 3.73Å
62L98.6Very high97Very high0 Ų037.8 Ų37.80%017%0.168CC..Hα-helixtrans-62.1-45.3175.1-177.761.4000112L23 F41 A44 L48 L50 D58 L59 A60 C64 Q65 L66L23-L62 HydrophobicContact CD2-CD2 4.19Å; F41-L62 HydrophobicContact CE2-CD2 3.75Å; F41-L62 HydrophobicContact CZ-CD2 3.92Å; A44-L62 HydrophobicContact CB-CD1 3.69Å; L48-L62 HydrophobicContact CD1-CB 4.07Å; L48-L62 HydrophobicContact CD1-CD1 4.16Å; L50-L62 HydrophobicContact CD1-CD2 4.49Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 2.84Å; L59-L62 WeakPolarHBondContact O-CB 3.29Å; L59-L62 PolarHBondContact O-N 2.85Å; A60-L62 VanDerWaalsContact C-N 3.3Å; A60-L62 PolarHBondContact O-N 3.05Å; L62-C64 VanDerWaalsContact C-N 3.33Å; L62-C64 PolarHBondContact O-N 2.83Å; L62-Q65 PolarHBondContact O-N 3.07Å; L62-L66 HydrophobicContact CD1-CD1 3.92Å; L62-L66 HydrophobicContact CD1-CG 4.33Å; L62-L66 HydrophobicContact CG-CD1 4.12Å; L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 WeakPolarHBondContact O-CG 3.1Å; L62-L66 PolarHBondContact O-N 2.81Å
63M98.3Very high97.4Very high0 Ų031.3 Ų31.30%014%0.138CC..Hα-helixtrans-60.9-42.7173.9-63.3-54.4134.200111.3V29 L30 L59 A60 L66 R67 V68 H70 I135 L221 I223V29-M63 HydrophobicContact CG2-CE 4.06Å; V29-M63 HydrophobicContact CG2-SD 4.4Å; L30-M63 HydrophobicContact CD2-SD 4.34Å; L59-M63 WeakPolarHBondContact O-CG 3.07Å; L59-M63 PolarHBondContact O-N 3.01Å; A60-M63 PolarHBondContact O-N 3.11Å; M63-L66 CarbonylContact O-C 3.48Å; M63-L66 PolarHBondContact O-N 3.43Å; M63-R67 PolarHBondContact O-N 3.49Å; M63-R67 VanDerWaalsContact O-N 3.12Å; M63-V68 HydrophobicContact CB-CB 4.24Å; M63-V68 PolarHBondContact O-N 3.44Å; M63-V68 HydrophobicContact SD-CB 4.29Å; M63-V68 HydrophobicContact SD-CG1 4.28Å; M63-H70 HydrophobicContact CB-CB 3.95Å; M63-H70 HydrophobicContact CG-CB 4.34Å; M63-I135 HydrophobicContact CE-CD1 4.45Å; M63-L221 HydrophobicContact CG-CD2 3.98Å; M63-I223 HydrophobicContact CG-CG1 4.41Å; M63-I223 HydrophobicContact SD-CG1 4.31Å
64C97.9Very high97.8Very high35 Ų3529.9 Ų29.924%0.23613%0.127CC..Hα-helixtrans-61.3-47.7176.8-168.50000112.4A60 Y61 L62 L66 R67 K110 G111 V112A60-C64 WeakPolarHBondContact O-CB 3.33Å; A60-C64 PolarHBondContact O-N 2.87Å; Y61-C64 WeakPolarHBondContact O-CB 3.43Å; Y61-C64 PolarHBondContact O-N 2.83Å; L62-C64 VanDerWaalsContact C-N 3.33Å; L62-C64 PolarHBondContact O-N 2.83Å; C64-L66 VanDerWaalsContact C-N 3.28Å; C64-L66 PolarHBondContact O-N 2.88Å; C64-R67 WeakPolarHBondContact O-CA 3.28Å; C64-R67 PolarHBondContact O-N 2.92Å; C64-K110 PolarHBondContact SG-O 2.81Å; C64-K110 VanDerWaalsContact SG-O 3.35Å; C64-G111 PolarHBondContact SG-O 3.29Å; C64-G111 VanDerWaalsContact SG-O 3.4Å; C64-V112 HydrophobicContact CB-CG2 3.79Å
65Q97.8Very high98Very high96 Ų9632.1 Ų32.145%0.44914%0.137SC..Hα-helixtrans-60.9-38.1179.1-176.367.95.300111.8A44 L48 Y61 L62 R67A44-Q65 HydrophobicContact CB-CB 4.5Å; A44-Q65 HydrophobicContact CB-CG 3.82Å; L48-Q65 HydrophobicContact CD1-CB 4.01Å; L48-Q65 HydrophobicContact CD1-CG 4.42Å; L48-Q65 HydrophobicContact CD2-CB 4.49Å; L48-Q65 HydrophobicContact CG-CB 4.4Å; L48-Q65 HydrophobicContact CG-CG 4.42Å; Y61-Q65 WeakPolarHBondContact O-CB 3.47Å; Y61-Q65 PolarHBondContact O-N 3.49Å; L62-Q65 PolarHBondContact O-N 3.07Å; Q65-R67 PolarHBondContact O-N 2.72Å
66L97.2Very high97.9Very high19 Ų1932.4 Ų32.410%0.09914%0.141CC..THydrogen-bonded Turntrans-84.18.3175.5-64173.4000113.2L30 V36 F41 A44 L62 M63 C64 V68L30-L66 HydrophobicContact CD1-CD1 3.52Å; L30-L66 HydrophobicContact CD2-CD1 4.02Å; L30-L66 HydrophobicContact CG-CD1 4.43Å; V36-L66 HydrophobicContact CG1-CD2 4.43Å; F41-L66 HydrophobicContact CD2-CD1 4.22Å; A44-L66 HydrophobicContact CB-CD2 3.68Å; A44-L66 HydrophobicContact CB-CG 3.99Å; L62-L66 HydrophobicContact CD1-CD1 3.92Å; L62-L66 HydrophobicContact CD1-CG 4.33Å; L62-L66 HydrophobicContact CG-CD1 4.12Å; L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 WeakPolarHBondContact O-CG 3.1Å; L62-L66 PolarHBondContact O-N 2.81Å; M63-L66 CarbonylContact O-C 3.48Å; M63-L66 PolarHBondContact O-N 3.43Å; C64-L66 VanDerWaalsContact C-N 3.28Å; C64-L66 PolarHBondContact O-N 2.88Å; L66-V68 HydrophobicContact CB-CG2 4.21Å; L66-V68 PolarHBondContact O-N 2.68Å
67R95.9Very high97.6Very high214 Ų21437 Ų3781%0.80817%0.165SC*.THydrogen-bonded Turntrans5927.4177.7-54-179.2180178.50.2114.2M63 C64 Q65M63-R67 PolarHBondContact O-N 3.49Å; M63-R67 VanDerWaalsContact O-N 3.12Å; C64-R67 WeakPolarHBondContact O-CA 3.28Å; C64-R67 PolarHBondContact O-N 2.92Å; Q65-R67 PolarHBondContact O-N 2.72Å
68V96.3Very high97.3Very high7 Ų737.1 Ų37.14%0.04217%0.166CC..  trans-87.9126.7176.5-178.60000109.6L30 H34 M63 L66 H70 I223L30-V68 HydrophobicContact CD2-CG2 3.64Å; H34-V68 HydrophobicContact CB-CG2 3.95Å; M63-V68 HydrophobicContact CB-CB 4.24Å; M63-V68 PolarHBondContact O-N 3.44Å; M63-V68 HydrophobicContact SD-CB 4.29Å; M63-V68 HydrophobicContact SD-CG1 4.28Å; L66-V68 HydrophobicContact CB-CG2 4.21Å; L66-V68 PolarHBondContact O-N 2.68Å; V68-H70 PolarHBondContact O-N 3.06Å; V68-H70 PolarHBondContact O-ND1 3.4Å; V68-I223 HydrophobicContact CG1-CG2 3.44Å; V68-I223 VanDerWaalsContact CG1-CG2 3.44Å
69R97.8Very high96.7Very high110 Ų11037.5 Ų37.542%0.41517%0.169SC..  trans-63.3125.7175.5-165.7-166.9-42.1127.14.4109.9F224 K225R69-F224 HydrophobicContact CB-CB 4.19Å; R69-F224 HydrophobicContact CG-CB 4.28Å; R69-F224 HydrophobicContact CG-CD2 4.11Å; R69-F224 HydrophobicContact CG-CG 4.39Å; R69-F224 WeakPolarHBondContact O-CD2 3.38Å; R69-F224 PolarHBondContact O-N 3.46Å; R69-K225 PolarHBondContact NH1-O 3.48Å
70H98.5Very high95.9Very high14 Ų1439.7 Ų39.77%0.06518%0.18CC..EExtended strand (participates in β ladder)trans-146.7166.3-174.263.8-81000111.8M63 V68 V113 L221 F222M63-H70 HydrophobicContact CB-CB 3.95Å; M63-H70 HydrophobicContact CG-CB 4.34Å; V68-H70 PolarHBondContact O-N 3.06Å; V68-H70 PolarHBondContact O-ND1 3.4Å; H70-V113 PolarHBondContact NE2-N 2.93Å; H70-L221 HydrophobicContact CB-CD1 4.07Å; H70-F222 CarbonylContact C-O 3.36Å; H70-F222 WeakPolarHBondContact CA-O 3.33Å; H70-F222 WeakPolarHBondContact CB-O 3.49Å
71R98.5Very high95Very high61 Ų6146.6 Ų46.623%0.2321%0.21CC..EExtended strand (participates in β ladder)trans-148.2118.3170.3174.9172.658.394.8-1.3109.2C73 V113 N115 F222 F224R71-C73 PolarHBondContact NH1-SG 3.36Å; R71-V113 HydrophobicContact CB-CG1 4.4Å; R71-V113 HydrophobicContact CG-CG1 4.29Å; R71-N115 WeakPolarHBondContact CG-OD1 3.46Å; R71-F222 HydrophobicContact CB-CB 4.35Å; R71-F222 VanDerWaalsContact CZ-CD2 3.5Å; R71-F222 PolarHBondContact N-O 3.18Å; R71-F222 VanDerWaalsContact NH2-CD2 3.3Å; R71-F222 WeakPolarHBondContact O-CB 3.34Å; R71-F222 PolarHBondContact O-N 3.22Å; R71-F224 HydrophobicContact CB-CE2 3.86Å; R71-F224 HydrophobicContact CB-CZ 4.23Å
72F98.8Very high93.9Very high0 Ų046.5 Ų46.50%022%0.216CC..EExtended strand (participates in β ladder)trans-94.3123.5175.9176.4-153.8000110.1T56 I57 A60 T74 F104 V113 V114 N115 D219 L221T56-F72 HydrophobicContact CG2-CD2 3.6Å; T56-F72 HydrophobicContact CG2-CE1 4.48Å; T56-F72 HydrophobicContact CG2-CE2 3.31Å; T56-F72 HydrophobicContact CG2-CG 4.36Å; T56-F72 HydrophobicContact CG2-CZ 3.81Å; I57-F72 HydrophobicContact CB-CE1 4.03Å; I57-F72 HydrophobicContact CD1-CD1 3.92Å; I57-F72 HydrophobicContact CD1-CE1 4.08Å; A60-F72 HydrophobicContact CB-CB 4.12Å; A60-F72 HydrophobicContact CB-CD1 4.36Å; A60-F72 HydrophobicContact CB-CG 4.49Å; F72-T74 HydrophobicContact CE1-CG2 4.29Å; F72-T74 HydrophobicContact CE2-CG2 4.32Å; F72-T74 HydrophobicContact CZ-CG2 3.94Å; F72-F104 HydrophobicContact CD1-CE1 4.44Å; F72-F104 AromaticContact CE1-CE1 3.69Å; F72-F104 HydrophobicContact CE1-CE1 3.69Å; F72-F104 AromaticContact CE1-CZ 3.59Å; F72-F104 HydrophobicContact CE1-CZ 3.59Å; F72-F104 HydrophobicContact CZ-CE1 4.43Å; F72-F104 HydrophobicContact CZ-CZ 4.08Å; F72-V113 PolarHBondContact N-O 3.05Å; F72-V114 HydrophobicContact CB-CG2 4.43Å; F72-V114 HydrophobicContact CD1-CB 4.44Å; F72-V114 HydrophobicContact CD1-CG1 3.81Å; F72-V114 HydrophobicContact CD1-CG2 3.98Å; F72-V114 HydrophobicContact CE1-CG1 4.26Å; F72-V114 HydrophobicContact CG-CG1 4.41Å; F72-V114 CarbonylContact O-C 3.52Å; F72-V114 WeakPolarHBondContact O-CA 3.49Å; F72-N115 PolarHBondContact O-N 3.38Å; F72-D219 HydrophobicContact CE2-CB 4.02Å; F72-D219 WeakPolarHBondContact CE2-OD1 3.23Å; F72-L221 HydrophobicContact CB-CD1 3.92Å
73C98.8Very high93Very high0 Ų046.5 Ų46.50%022%0.216CC..EExtended strand (participates in β ladder)trans-112.1137.2172.1-62.90000111R71 N115 C117 V119 D219 I220R71-C73 PolarHBondContact NH1-SG 3.36Å; C73-N115 WeakPolarHBondContact CA-O 3.4Å; C73-C117 VanDerWaalsContact SG-SG 3.61Å; C73-V119 HydrophobicContact CB-CG2 3.63Å; C73-D219 WeakPolarHBondContact O-CA 3.17Å; C73-I220 HydrophobicContact CB-CG2 3.74Å; C73-I220 PolarHBondContact N-O 3.17Å; C73-I220 PolarHBondContact O-N 3.41Å
74T98.6Very high91.8Very high0 Ų054.1 Ų54.10%024%0.244CC..EExtended strand (participates in β ladder)trans-153.7156.3-177.8-177.30000111.3F72 T76 L77 F104 V114 N115 K116 C117 D217 D219F72-T74 HydrophobicContact CE1-CG2 4.29Å; F72-T74 HydrophobicContact CE2-CG2 4.32Å; F72-T74 HydrophobicContact CZ-CG2 3.94Å; T74-T76 WeakPolarHBondContact CG2-O 3.48Å; T74-T76 PolarHBondContact OG1-N 2.84Å; T74-T76 VanDerWaalsContact OG1-N 3.15Å; T74-T76 PolarHBondContact OG1-O 3.31Å; T74-L77 HydrophobicContact CG2-CD2 4.1Å; T74-F104 HydrophobicContact CG2-CE1 4.12Å; T74-F104 HydrophobicContact CG2-CZ 4.46Å; T74-V114 HydrophobicContact CG2-CG1 4.33Å; T74-N115 PolarHBondContact N-O 3.46Å; T74-N115 VanDerWaalsContact N-O 3.1Å; T74-K116 CarbonylContact O-C 3.46Å; T74-K116 VanDerWaalsContact O-CA 3.23Å; T74-K116 WeakPolarHBondContact O-CA 3.37Å; T74-C117 PolarHBondContact O-N 3.41Å; T74-D217 CarbonylContact C-O 3.58Å; T74-D217 WeakPolarHBondContact OG1-CB 3.48Å; T74-D219 WeakPolarHBondContact CB-OD1 3.25Å; T74-D219 PolarHBondContact OG1-OD1 3.34Å
75Q97.3Very high90.5Very high67 Ų6758.7 Ų58.731%0.31327%0.266SS..SBendtrans-80.3-19.1168.2-68.3-55.6-61.300113K116 C117 S118 D217 E218Q75-K116 WeakPolarHBondContact O-CE 3.32Å; Q75-C117 PolarHBondContact NE2-O 3.26Å; Q75-S118 PolarHBondContact NE2-OG 3.18Å; Q75-D217 WeakPolarHBondContact CB-O 3.23Å; Q75-D217 PolarHBondContact N-O 3.34Å; Q75-E218 HydrophobicContact CG-CB 4.07Å; Q75-E218 HydrophobicContact CG-CG 3.86Å; Q75-E218 PolarHBondContact NE2-OE2 3.46Å
76T94Very high89.3Confident30 Ų3055.8 Ų55.818%0.18425%0.253CS..  trans-127.2121.2-170.8-58.40000110.7T74 G78 D80 D217T74-T76 WeakPolarHBondContact CG2-O 3.48Å; T74-T76 PolarHBondContact OG1-N 2.84Å; T74-T76 VanDerWaalsContact OG1-N 3.15Å; T74-T76 PolarHBondContact OG1-O 3.31Å; T76-G78 PolarHBondContact O-N 3.03Å; T76-D80 HydrophobicContact CG2-CB 4.2Å; T76-D217 WeakPolarHBondContact CB-OD1 3.39Å; T76-D217 PolarHBondContact OG1-OD1 3.38Å
77L93Very high88.2Confident99 Ų9957.5 Ų57.552%0.51827%0.267SS..SBendtrans-9297.5171.7-62.8179.9000108.4T74 F104 V114 K116T74-L77 HydrophobicContact CG2-CD2 4.1Å; L77-F104 HydrophobicContact CB-CD1 4.4Å; L77-F104 HydrophobicContact CD2-CD1 4.02Å; L77-F104 HydrophobicContact CD2-CE1 4.05Å; L77-V114 HydrophobicContact CD2-CG1 3.84Å; L77-K116 HydrophobicContact CD1-CB 4.02Å; L77-K116 HydrophobicContact CD1-CD 4.16Å; L77-K116 HydrophobicContact CD1-CG 4.49Å; L77-K116 HydrophobicContact CD2-CB 4.07Å; L77-K116 HydrophobicContact CG-CB 3.94Å; L77-K116 HydrophobicContact CG-CD 4.06Å; L77-K116 HydrophobicContact CG-CG 4.13Å
78G91Very high87.1Confident3 Ų351.6 Ų51.63%0.03125%0.247CC..SBendtrans111.5-153.9-171.800000111.8T76 N101 F104T76-G78 PolarHBondContact O-N 3.03Å; G78-N101 WeakPolarHBondContact CA-OD1 3.43Å; G78-F104 VanDerWaalsContact CA-CD2 3.41Å
79V85.8Confident86.2Confident12 Ų1252.5 Ų52.57%0.07325%0.25CC..  trans-99.8129.3175.11790000110.5W55 K81 F93 E97 V100 N101W55-V79 HydrophobicContact CH2-CB 4.36Å; W55-V79 HydrophobicContact CH2-CG1 3.89Å; W55-V79 HydrophobicContact CH2-CG2 3.69Å; W55-V79 HydrophobicContact CZ2-CG2 4.38Å; W55-V79 HydrophobicContact CZ3-CG1 4.42Å; W55-V79 HydrophobicContact CZ3-CG2 3.82Å; V79-K81 PolarHBondContact O-N 3.45Å; V79-F93 HydrophobicContact CG1-CE2 3.65Å; V79-F93 HydrophobicContact CG1-CZ 3.58Å; V79-E97 HydrophobicContact CB-CB 4.49Å; V79-E97 HydrophobicContact CB-CG 4.21Å; V79-E97 HydrophobicContact CG2-CB 4.47Å; V79-V100 HydrophobicContact CG2-CB 3.62Å; V79-V100 HydrophobicContact CG2-CG1 3.53Å; V79-V100 HydrophobicContact CG2-CG2 4.35Å; V79-N101 PolarHBondContact N-OD1 3.44Å
80D83Confident85Confident46 Ų4654.6 Ų54.625%0.24626%0.262CS..  trans-67.5116.6167.6177.29.7000109.2T76 G82 F83 Y214T76-D80 HydrophobicContact CG2-CB 4.2Å; D80-G82 PolarHBondContact O-N 2.99Å; D80-G82 PolarHBondContact OD1-N 3.24Å; D80-F83 HydrophobicContact CB-CD1 3.81Å; D80-F83 HydrophobicContact CB-CD2 4.13Å; D80-F83 HydrophobicContact CB-CE1 3.73Å; D80-F83 HydrophobicContact CB-CE2 4.09Å; D80-F83 HydrophobicContact CB-CG 4.01Å; D80-F83 HydrophobicContact CB-CZ 3.89Å; D80-F83 VanDerWaalsContact O-CB 3.23Å; D80-F83 WeakPolarHBondContact O-CB 3.4Å; D80-F83 PolarHBondContact O-N 3.15Å; D80-F83 WeakPolarHBondContact OD2-CE1 3.47Å; D80-Y214 WeakPolarHBondContact OD2-CE2 3.35Å; D80-Y214 PolarHBondContact OD2-OH 2.9Å
81K79.4Confident83.5Confident145 Ų14562.2 Ų62.263%0.6330%0.295SS*.G310 helixtrans-58-22.7176.5-66.6-172.3177.1-173.50113.1V79 F83 R84 E97V79-K81 PolarHBondContact O-N 3.45Å; K81-F83 PolarHBondContact O-N 3.43Å; K81-R84 WeakPolarHBondContact O-CD 3.42Å; K81-R84 WeakPolarHBondContact O-CG 3.23Å; K81-E97 VanDerWaalsContact CE-OE1 3.3Å; K81-E97 WeakPolarHBondContact CE-OE1 3.49Å
82G76.6Confident81.9Confident18 Ų1864 Ų6419%0.18631%0.306CS..G310 helixtrans-65.5-24.9173.300000113.7D80 R84 N85 Y214D80-G82 PolarHBondContact O-N 2.99Å; D80-G82 PolarHBondContact OD1-N 3.24Å; G82-R84 PolarHBondContact O-N 3.45Å; G82-N85 WeakPolarHBondContact O-CB 3.38Å; G82-N85 PolarHBondContact O-N 3.31Å; G82-N85 VanDerWaalsContact O-N 3.08Å; G82-N85 PolarHBondContact O-ND2 2.92Å; G82-Y214 VanDerWaalsContact C-OH 3.24Å; G82-Y214 WeakPolarHBondContact CA-OH 3.32Å
83F78.4Confident80.6Confident0 Ų064.8 Ų64.80%031%0.309CS..G310 helixtrans-65.5-19.5180-70.90.4000113.5D80 K81 N85 Q86 Y89 F93 Y214 G215 D217D80-F83 HydrophobicContact CB-CD1 3.81Å; D80-F83 HydrophobicContact CB-CD2 4.13Å; D80-F83 HydrophobicContact CB-CE1 3.73Å; D80-F83 HydrophobicContact CB-CE2 4.09Å; D80-F83 HydrophobicContact CB-CG 4.01Å; D80-F83 HydrophobicContact CB-CZ 3.89Å; D80-F83 VanDerWaalsContact O-CB 3.23Å; D80-F83 WeakPolarHBondContact O-CB 3.4Å; D80-F83 PolarHBondContact O-N 3.15Å; D80-F83 WeakPolarHBondContact OD2-CE1 3.47Å; K81-F83 PolarHBondContact O-N 3.43Å; F83-N85 PolarHBondContact O-N 2.84Å; F83-Q86 WeakPolarHBondContact O-CB 3.42Å; F83-Q86 PolarHBondContact O-N 3.39Å; F83-Y89 HydrophobicContact CB-CD2 3.64Å; F83-Y89 HydrophobicContact CB-CE2 4.19Å; F83-Y89 HydrophobicContact CB-CG 4.14Å; F83-Y89 AromaticContact CD2-CD2 3.94Å; F83-Y89 HydrophobicContact CD2-CD2 3.94Å; F83-Y89 AromaticContact CD2-CE2 3.65Å; F83-Y89 HydrophobicContact CD2-CE2 3.65Å; F83-Y89 HydrophobicContact CE2-CE2 4.12Å; F83-Y89 AromaticContact CG-CD2 3.87Å; F83-Y89 HydrophobicContact CG-CD2 3.87Å; F83-Y89 AromaticContact CG-CE2 3.88Å; F83-Y89 HydrophobicContact CG-CE2 3.88Å; F83-F93 HydrophobicContact CB-CE2 3.69Å; F83-F93 HydrophobicContact CB-CZ 4.43Å; F83-Y214 HydrophobicContact CD1-CE1 4.36Å; F83-Y214 HydrophobicContact CD1-CE2 4.31Å; F83-Y214 AromaticContact CD1-CZ 3.85Å; F83-Y214 HydrophobicContact CE1-CD2 4.47Å; F83-Y214 AromaticContact CE1-CE2 3.88Å; F83-Y214 HydrophobicContact CE1-CE2 3.88Å; F83-Y214 AromaticContact CE1-CZ 3.9Å; F83-G215 VanDerWaalsContact CE1-CA 3.49Å; F83-D217 WeakPolarHBondContact CE2-OD2 3.36Å; F83-D217 VanDerWaalsContact CZ-CG 3.45Å; F83-D217 VanDerWaalsContact CZ-OD1 3.32Å; F83-D217 WeakPolarHBondContact CZ-OD1 3.46Å; F83-D217 WeakPolarHBondContact CZ-OD2 3.44Å
84R73.9Confident79Confident160 Ų16070.7 Ų70.760%0.60434%0.341SS*.G310 helixtrans-52.9-25.117074.3-174.5-81.6178.7-1.9113.4K81 G82 F93K81-R84 WeakPolarHBondContact O-CD 3.42Å; K81-R84 WeakPolarHBondContact O-CG 3.23Å; G82-R84 PolarHBondContact O-N 3.45Å; R84-F93 HydrophobicContact CB-CD1 3.91Å; R84-F93 HydrophobicContact CB-CD2 4.25Å; R84-F93 HydrophobicContact CB-CE1 3.81Å; R84-F93 HydrophobicContact CB-CE2 4.18Å; R84-F93 HydrophobicContact CB-CG 4.12Å; R84-F93 HydrophobicContact CB-CZ 3.95Å; R84-F93 VanDerWaalsContact N-CE2 3.27Å
85N70.8Confident77.7Confident131 Ų13175.9 Ų75.970%0.70137%0.373SS*.G310 helixtrans-86.5-13.5-179.6-61.4-39.3000112.6G82 F83G82-N85 WeakPolarHBondContact O-CB 3.38Å; G82-N85 PolarHBondContact O-N 3.31Å; G82-N85 VanDerWaalsContact O-N 3.08Å; G82-N85 PolarHBondContact O-ND2 2.92Å; F83-N85 PolarHBondContact O-N 2.84Å
86Q72.4Confident77Confident36 Ų3673.5 Ų73.517%0.16836%0.361CS..SBendtrans-82.9125.8171.7-62.7-71.79.400109.4F83 F88 Y89 K90 Y214F83-Q86 WeakPolarHBondContact O-CB 3.42Å; F83-Q86 PolarHBondContact O-N 3.39Å; Q86-F88 PolarHBondContact O-N 3.29Å; Q86-Y89 HydrophobicContact CB-CD2 3.95Å; Q86-Y89 HydrophobicContact CG-CD2 4.43Å; Q86-Y89 PolarHBondContact O-N 2.94Å; Q86-Y89 VanDerWaalsContact O-N 3.14Å; Q86-K90 PolarHBondContact O-N 3.26Å; Q86-Y214 HydrophobicContact CG-CE1 4.38Å
87S73.2Confident76.6Confident55 Ų5573.6 Ų73.639%0.38536%0.36SS..Hα-helixtrans-56.1-34.6179.159.60000112.8Y89 K90 E170S87-Y89 VanDerWaalsContact C-N 3.34Å; S87-Y89 PolarHBondContact O-N 2.91Å; S87-K90 PolarHBondContact O-N 2.84Å; S87-E170 WeakPolarHBondContact CB-OE2 3.47Å; S87-E170 PolarHBondContact OG-OE2 2.93Å
88F73.4Confident76.4Confident90 Ų9074.7 Ų74.740%0.39537%0.366SS..Hα-helixtrans-55.2-44.9177.3-175.1-95.9000112.8Q86 Y171 Q172Q86-F88 PolarHBondContact O-N 3.29Å; F88-Y171 HydrophobicContact CB-CD1 4.01Å; F88-Y171 HydrophobicContact CB-CE1 4.42Å; F88-Y171 HydrophobicContact CD1-CD1 4.28Å; F88-Y171 AromaticContact CD1-CE1 3.82Å; F88-Y171 HydrophobicContact CD1-CE1 3.82Å; F88-Y171 HydrophobicContact CE1-CE1 4.34Å; F88-Y171 HydrophobicContact CG-CD1 4.21Å; F88-Y171 HydrophobicContact CG-CE1 4.17Å; F88-Q172 HydrophobicContact CD2-CG 4.23Å; F88-Q172 HydrophobicContact CE2-CG 4.1Å
89Y77.3Confident76.5Confident25 Ų2577.1 Ų77.110%0.09837%0.374CS..Hα-helixtrans-89.2-16.9-177.1-65.4-66.4000113.5W55 F83 Q86 S87 K91 H92 F93 Y171 G215W55-Y89 HydrophobicContact CH2-CD1 4.17Å; W55-Y89 HydrophobicContact CH2-CE1 4.07Å; W55-Y89 HydrophobicContact CZ2-CD1 4.05Å; W55-Y89 HydrophobicContact CZ2-CE1 4.12Å; F83-Y89 HydrophobicContact CB-CD2 3.64Å; F83-Y89 HydrophobicContact CB-CE2 4.19Å; F83-Y89 HydrophobicContact CB-CG 4.14Å; F83-Y89 AromaticContact CD2-CD2 3.94Å; F83-Y89 HydrophobicContact CD2-CD2 3.94Å; F83-Y89 AromaticContact CD2-CE2 3.65Å; F83-Y89 HydrophobicContact CD2-CE2 3.65Å; F83-Y89 HydrophobicContact CE2-CE2 4.12Å; F83-Y89 AromaticContact CG-CD2 3.87Å; F83-Y89 HydrophobicContact CG-CD2 3.87Å; F83-Y89 AromaticContact CG-CE2 3.88Å; F83-Y89 HydrophobicContact CG-CE2 3.88Å; Q86-Y89 HydrophobicContact CB-CD2 3.95Å; Q86-Y89 HydrophobicContact CG-CD2 4.43Å; Q86-Y89 PolarHBondContact O-N 2.94Å; Q86-Y89 VanDerWaalsContact O-N 3.14Å; S87-Y89 VanDerWaalsContact C-N 3.34Å; S87-Y89 PolarHBondContact O-N 2.91Å; Y89-K91 VanDerWaalsContact C-N 3.33Å; Y89-K91 PolarHBondContact O-N 2.88Å; Y89-H92 PolarHBondContact O-N 3.49Å; Y89-F93 WeakPolarHBondContact O-CB 3.22Å; Y89-F93 PolarHBondContact O-N 3.26Å; Y89-Y171 HydrophobicContact CD2-CE1 4.41Å; Y89-Y171 HydrophobicContact CE2-CD1 4.11Å; Y89-Y171 AromaticContact CE2-CE1 3.51Å; Y89-Y171 HydrophobicContact CE2-CE1 3.51Å; Y89-Y171 AromaticContact CZ-CE1 3.81Å; Y89-Y171 PolarHBondContact OH-OH 3.45Å; Y89-G215 PolarHBondContact OH-O 3.31Å
90K71.8Confident76.9Confident154 Ų15476.5 Ų76.567%0.6737%0.371SS*.Hα-helixtrans-59-34.4-168.6-170.8173.5-178176.50115.3Q86 S87 H92Q86-K90 PolarHBondContact O-N 3.26Å; S87-K90 PolarHBondContact O-N 2.84Å; K90-H92 VanDerWaalsContact C-N 3.32Å; K90-H92 PolarHBondContact O-N 2.93Å
91K67.8Low77.5Confident175 Ų17576.6 Ų76.676%0.76137%0.371SS*.THydrogen-bonded Turntrans-69.3-28.4-171-169.4-179.6174-169.40113.5Y89Y89-K91 VanDerWaalsContact C-N 3.33Å; Y89-K91 PolarHBondContact O-N 2.88Å
92H65.1Low78.2Confident99 Ų9974.4 Ų74.446%0.45836%0.363SS..THydrogen-bonded Turntrans-128.110.4-173.6-62-69.6000113.1Y89 K90 D94 T95 E96Y89-H92 PolarHBondContact O-N 3.49Å; K90-H92 VanDerWaalsContact C-N 3.32Å; K90-H92 PolarHBondContact O-N 2.93Å; H92-D94 PolarHBondContact O-N 3.01Å; H92-T95 PolarHBondContact O-N 3.42Å; H92-E96 HydrophobicContact CB-CG 3.78Å; H92-E96 WeakPolarHBondContact O-CB 3.43Å; H92-E96 VanDerWaalsContact O-CG 3.27Å; H92-E96 WeakPolarHBondContact O-CG 3.38Å; H92-E96 PolarHBondContact O-N 3.37Å
93F70.8Confident79.2Confident15 Ų1575.2 Ų75.27%0.06636%0.363CS..Hα-helixtrans-51.7-56.9-166.8-163.9-95.9000113.9V79 F83 R84 Y89 T95 E96 E97V79-F93 HydrophobicContact CG1-CE2 3.65Å; V79-F93 HydrophobicContact CG1-CZ 3.58Å; F83-F93 HydrophobicContact CB-CE2 3.69Å; F83-F93 HydrophobicContact CB-CZ 4.43Å; R84-F93 HydrophobicContact CB-CD1 3.91Å; R84-F93 HydrophobicContact CB-CD2 4.25Å; R84-F93 HydrophobicContact CB-CE1 3.81Å; R84-F93 HydrophobicContact CB-CE2 4.18Å; R84-F93 HydrophobicContact CB-CG 4.12Å; R84-F93 HydrophobicContact CB-CZ 3.95Å; R84-F93 VanDerWaalsContact N-CE2 3.27Å; Y89-F93 WeakPolarHBondContact O-CB 3.22Å; Y89-F93 PolarHBondContact O-N 3.26Å; F93-T95 PolarHBondContact O-N 2.8Å; F93-E96 PolarHBondContact O-N 3.41Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.41Å; F93-E97 VanDerWaalsContact O-CB 3.3Å; F93-E97 WeakPolarHBondContact O-CB 3.37Å; F93-E97 PolarHBondContact O-N 2.96Å
94D65.6Low80.1Confident125 Ų12576.6 Ų76.667%0.66837%0.369SS*.Hα-helixtrans-66.4-37-171.2-58-23.5000112.7H92H92-D94 PolarHBondContact O-N 3.01Å
95T72.1Confident81.2Confident109 Ų10976.1 Ų76.167%0.66938%0.378SS*.Hα-helixtrans-77-33.3178.9-500000112.2H92 F93H92-T95 PolarHBondContact O-N 3.42Å; F93-T95 PolarHBondContact O-N 2.8Å
96E81.4Confident82.5Confident17 Ų1774.1 Ų74.18%0.07936%0.363CS..Hα-helixtrans-78.1-30.2177-64.8-62.612700111.9S53 W55 H92 F93 R99 V100S53-E96 WeakPolarHBondContact CB-OE2 3.39Å; S53-E96 PolarHBondContact OG-OE2 3.49Å; W55-E96 HydrophobicContact CZ2-CB 4.38Å; H92-E96 HydrophobicContact CB-CG 3.78Å; H92-E96 WeakPolarHBondContact O-CB 3.43Å; H92-E96 VanDerWaalsContact O-CG 3.27Å; H92-E96 WeakPolarHBondContact O-CG 3.38Å; H92-E96 PolarHBondContact O-N 3.37Å; F93-E96 PolarHBondContact O-N 3.41Å; E96-R99 PolarHBondContact O-N 2.99Å; E96-R99 IonicContact OE1-NE 3.34Å; E96-R99 IonicContact OE2-CZ 3.54Å; E96-R99 IonicContact OE2-NE 2.73Å; E96-R99 PolarHBondContact OE2-NE 2.84Å; E96-R99 IonicContact OE2-NH2 3.72Å; E96-R99 PolarHBondContact OE2-NH2 2.73Å; E96-V100 VanDerWaalsContact O-CB 3.26Å; E96-V100 WeakPolarHBondContact O-CB 3.46Å; E96-V100 WeakPolarHBondContact O-CG2 3.47Å; E96-V100 PolarHBondContact O-N 3.14Å
97E86.3Confident83.7Confident32 Ų3272.6 Ų72.615%0.1536%0.356CS..Hα-helixtrans-57.4-55.2177.9178.4172.2-17200111.5V79 K81 F93 R99 V100 N101V79-E97 HydrophobicContact CB-CB 4.49Å; V79-E97 HydrophobicContact CB-CG 4.21Å; V79-E97 HydrophobicContact CG2-CB 4.47Å; K81-E97 VanDerWaalsContact CE-OE1 3.3Å; K81-E97 WeakPolarHBondContact CE-OE1 3.49Å; F93-E97 WeakPolarHBondContact CE1-OE2 3.41Å; F93-E97 VanDerWaalsContact O-CB 3.3Å; F93-E97 WeakPolarHBondContact O-CB 3.37Å; F93-E97 PolarHBondContact O-N 2.96Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 2.89Å; E97-V100 PolarHBondContact O-N 3.44Å; E97-N101 VanDerWaalsContact CG-ND2 3.32Å; E97-N101 WeakPolarHBondContact CG-ND2 3.36Å; E97-N101 VanDerWaalsContact O-CB 3.22Å; E97-N101 WeakPolarHBondContact O-CB 3.44Å; E97-N101 PolarHBondContact O-N 3.3Å; E97-N101 PolarHBondContact O-ND2 3.18Å
98D89.4Confident84.8Confident122 Ų12278.6 Ų78.665%0.65238%0.378SS*.Hα-helixtrans-60.7-44.9-179.5-74.7-22.2000111.6E102D98-E102 WeakPolarHBondContact O-CB 3.48Å; D98-E102 PolarHBondContact O-N 2.9Å
99R93.3Very high85.9Confident53 Ų5379 Ų7920%0.239%0.393CS..Hα-helixtrans-61.6-50.6-179.9-175.3-171.673.777.2-4.5111.9S53 D58 E96 E97 E102 L103S53-R99 PolarHBondContact O-NH2 3.08Å; S53-R99 VanDerWaalsContact O-NH2 3.07Å; D58-R99 IonicContact OD1-CZ 3.01Å; D58-R99 IonicContact OD1-NH1 2.98Å; D58-R99 PolarHBondContact OD1-NH1 2.83Å; D58-R99 IonicContact OD1-NH2 3.63Å; D58-R99 IonicContact OD2-CZ 2.72Å; D58-R99 IonicContact OD2-NH1 3.21Å; D58-R99 PolarHBondContact OD2-NH1 3.11Å; D58-R99 IonicContact OD2-NH2 2.77Å; D58-R99 PolarHBondContact OD2-NH2 3.08Å; E96-R99 PolarHBondContact O-N 2.99Å; E96-R99 IonicContact OE1-NE 3.34Å; E96-R99 IonicContact OE2-CZ 3.54Å; E96-R99 IonicContact OE2-NE 2.73Å; E96-R99 PolarHBondContact OE2-NE 2.84Å; E96-R99 IonicContact OE2-NH2 3.72Å; E96-R99 PolarHBondContact OE2-NH2 2.73Å; E97-R99 VanDerWaalsContact C-N 3.34Å; E97-R99 PolarHBondContact O-N 2.89Å; R99-E102 PolarHBondContact O-N 2.85Å; R99-L103 VanDerWaalsContact NH1-CD1 3.32Å; R99-L103 WeakPolarHBondContact O-CG 3.48Å; R99-L103 PolarHBondContact O-N 3.03Å
100V93.9Very high86.9Confident0 Ų084.1 Ų84.10%042%0.415CS..Hα-helixtrans-67-43.8-177.7169.40000110.1W55 I57 V79 E96 E97 E102 L103 F104W55-V100 HydrophobicContact CB-CG2 4.41Å; W55-V100 HydrophobicContact CD2-CG1 4.35Å; W55-V100 HydrophobicContact CD2-CG2 3.66Å; W55-V100 HydrophobicContact CE3-CG1 3.99Å; W55-V100 HydrophobicContact CE3-CG2 4.14Å; W55-V100 HydrophobicContact CG-CG2 3.77Å; W55-V100 HydrophobicContact CZ2-CG2 4.41Å; W55-V100 HydrophobicContact CZ3-CG1 4.34Å; I57-V100 HydrophobicContact CG2-CG1 4.16Å; V79-V100 HydrophobicContact CG2-CB 3.62Å; V79-V100 HydrophobicContact CG2-CG1 3.53Å; V79-V100 HydrophobicContact CG2-CG2 4.35Å; E96-V100 VanDerWaalsContact O-CB 3.26Å; E96-V100 WeakPolarHBondContact O-CB 3.46Å; E96-V100 WeakPolarHBondContact O-CG2 3.47Å; E96-V100 PolarHBondContact O-N 3.14Å; E97-V100 PolarHBondContact O-N 3.44Å; V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 PolarHBondContact O-N 3.22Å; V100-L103 WeakPolarHBondContact O-CB 3.42Å; V100-L103 PolarHBondContact O-N 2.91Å; V100-L103 VanDerWaalsContact O-N 3.13Å; V100-F104 HydrophobicContact CG1-CD2 3.8Å; V100-F104 HydrophobicContact CG1-CE2 3.69Å; V100-F104 WeakPolarHBondContact O-CD2 3.4Å; V100-F104 PolarHBondContact O-N 3.35Å
101N94.4Very high88.1Confident48 Ų4879 Ų7926%0.25741%0.406SS..Hα-helixtrans-58.4-42.5175.1-72.9-29000111.5G78 V79 E97 L103 F104 L105G78-N101 WeakPolarHBondContact CA-OD1 3.43Å; V79-N101 PolarHBondContact N-OD1 3.44Å; E97-N101 VanDerWaalsContact CG-ND2 3.32Å; E97-N101 WeakPolarHBondContact CG-ND2 3.36Å; E97-N101 VanDerWaalsContact O-CB 3.22Å; E97-N101 WeakPolarHBondContact O-CB 3.44Å; E97-N101 PolarHBondContact O-N 3.3Å; E97-N101 PolarHBondContact O-ND2 3.18Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-L103 PolarHBondContact O-N 3.31Å; N101-F104 PolarHBondContact O-N 3.26Å; N101-L105 WeakPolarHBondContact O-CB 3.13Å; N101-L105 VanDerWaalsContact O-CG 3.27Å; N101-L105 WeakPolarHBondContact O-CG 3.26Å; N101-L105 PolarHBondContact O-N 3.3Å
102E95.3Very high89.5Confident98 Ų9870.9 Ų70.946%0.45837%0.371SS..Hα-helixtrans-62.4-39.4175.8-171.6177.2-16500112.6D98 R99 V100 L105 K106D98-E102 WeakPolarHBondContact O-CB 3.48Å; D98-E102 PolarHBondContact O-N 2.9Å; R99-E102 PolarHBondContact O-N 2.85Å; V100-E102 VanDerWaalsContact C-N 3.29Å; V100-E102 PolarHBondContact O-N 3.22Å; E102-L105 PolarHBondContact O-N 2.99Å; E102-K106 HydrophobicContact CG-CD 4.13Å; E102-K106 WeakPolarHBondContact O-CG 3.47Å; E102-K106 PolarHBondContact O-N 3.01Å; E102-K106 VanDerWaalsContact OE1-CE 3.28Å; E102-K106 WeakPolarHBondContact OE1-CE 3.42Å; E102-K106 IonicContact OE1-NZ 3.83Å; E102-K106 PolarHBondContact OE1-NZ 3.1Å
103L96.9Very high91.1Very high35 Ų3569.5 Ų69.518%0.18337%0.369CS..Hα-helixtrans-62.5-44.5175.6-72.4173.3000112.1I57 D58 Y61 R99 V100 N101 K106 A107I57-L103 HydrophobicContact CG1-CB 3.91Å; I57-L103 HydrophobicContact CG2-CB 4.26Å; I57-L103 HydrophobicContact CG2-CD1 4Å; D58-L103 WeakPolarHBondContact OD1-CD1 3.48Å; Y61-L103 HydrophobicContact CD1-CD2 4.45Å; Y61-L103 HydrophobicContact CD2-CD2 4.07Å; Y61-L103 HydrophobicContact CE1-CD2 4.17Å; Y61-L103 HydrophobicContact CE2-CB 3.88Å; Y61-L103 HydrophobicContact CE2-CD2 3.77Å; Y61-L103 HydrophobicContact CE2-CG 4.39Å; Y61-L103 WeakPolarHBondContact CE2-O 3.44Å; Y61-L103 HydrophobicContact CG-CD2 4.39Å; Y61-L103 PolarHBondContact OH-O 2.96Å; R99-L103 VanDerWaalsContact NH1-CD1 3.32Å; R99-L103 WeakPolarHBondContact O-CG 3.48Å; R99-L103 PolarHBondContact O-N 3.03Å; V100-L103 WeakPolarHBondContact O-CB 3.42Å; V100-L103 PolarHBondContact O-N 2.91Å; V100-L103 VanDerWaalsContact O-N 3.13Å; N101-L103 VanDerWaalsContact C-N 3.35Å; N101-L103 PolarHBondContact O-N 3.31Å; L103-K106 PolarHBondContact O-N 3.16Å; L103-A107 PolarHBondContact O-N 2.72Å
104F97.8Very high92.4Very high29 Ų2970.5 Ų70.513%0.12738%0.377CS..Hα-helixtrans-63.2-43.9175.1-84.8-82.1000111.8I57 F72 T74 L77 G78 V100 N101 K106 A107 V114I57-F104 HydrophobicContact CB-CD2 4.37Å; I57-F104 HydrophobicContact CB-CE2 3.94Å; I57-F104 HydrophobicContact CB-CZ 4.13Å; I57-F104 HydrophobicContact CD1-CD1 4.25Å; I57-F104 HydrophobicContact CD1-CE1 4.27Å; I57-F104 HydrophobicContact CG1-CD2 4.24Å; I57-F104 HydrophobicContact CG1-CE2 4.28Å; I57-F104 HydrophobicContact CG1-CG 4.42Å; I57-F104 HydrophobicContact CG1-CZ 4.49Å; I57-F104 HydrophobicContact CG2-CD2 4.39Å; I57-F104 HydrophobicContact CG2-CE2 4.04Å; F72-F104 HydrophobicContact CD1-CE1 4.44Å; F72-F104 AromaticContact CE1-CE1 3.69Å; F72-F104 HydrophobicContact CE1-CE1 3.69Å; F72-F104 AromaticContact CE1-CZ 3.59Å; F72-F104 HydrophobicContact CE1-CZ 3.59Å; F72-F104 HydrophobicContact CZ-CE1 4.43Å; F72-F104 HydrophobicContact CZ-CZ 4.08Å; T74-F104 HydrophobicContact CG2-CE1 4.12Å; T74-F104 HydrophobicContact CG2-CZ 4.46Å; L77-F104 HydrophobicContact CB-CD1 4.4Å; L77-F104 HydrophobicContact CD2-CD1 4.02Å; L77-F104 HydrophobicContact CD2-CE1 4.05Å; G78-F104 VanDerWaalsContact CA-CD2 3.41Å; V100-F104 HydrophobicContact CG1-CD2 3.8Å; V100-F104 HydrophobicContact CG1-CE2 3.69Å; V100-F104 WeakPolarHBondContact O-CD2 3.4Å; V100-F104 PolarHBondContact O-N 3.35Å; N101-F104 PolarHBondContact O-N 3.26Å; F104-K106 PolarHBondContact O-N 3.28Å; F104-A107 WeakPolarHBondContact O-CB 3.5Å; F104-A107 PolarHBondContact O-N 3.01Å; F104-V114 HydrophobicContact CD1-CG1 4.12Å; F104-V114 HydrophobicContact CE1-CG1 3.83Å
105L96.9Very high94Very high150 Ų15067.8 Ų67.879%0.78536%0.362SS*.Hα-helixtrans-59.9-34.7177.9-74170.9000112.7N101 E102N101-L105 WeakPolarHBondContact O-CB 3.13Å; N101-L105 VanDerWaalsContact O-CG 3.27Å; N101-L105 WeakPolarHBondContact O-CG 3.26Å; N101-L105 PolarHBondContact O-N 3.3Å; E102-L105 PolarHBondContact O-N 2.99Å
106K97.5Very high95.2Very high90 Ų9069.1 Ų69.139%0.39136%0.359SS..Hα-helixtrans-93.7-9.2-178.1-67.2-179.4-174.8175.10114.2E102 L103 F104 E108 S109 K110E102-K106 HydrophobicContact CG-CD 4.13Å; E102-K106 WeakPolarHBondContact O-CG 3.47Å; E102-K106 PolarHBondContact O-N 3.01Å; E102-K106 VanDerWaalsContact OE1-CE 3.28Å; E102-K106 WeakPolarHBondContact OE1-CE 3.42Å; E102-K106 IonicContact OE1-NZ 3.83Å; E102-K106 PolarHBondContact OE1-NZ 3.1Å; L103-K106 PolarHBondContact O-N 3.16Å; F104-K106 PolarHBondContact O-N 3.28Å; K106-E108 PolarHBondContact O-N 2.78Å; K106-S109 PolarHBondContact O-N 2.77Å; K106-S109 VanDerWaalsContact O-N 3.14Å; K106-S109 PolarHBondContact O-OG 3.5Å; K106-K110 HydrophobicContact CB-CG 4.35Å; K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.98Å; K106-K110 VanDerWaalsContact O-N 3.08Å
107A97.8Very high96Very high4 Ų470.5 Ų70.53%0.03337%0.37CS..THydrogen-bonded Turntrans-51.6-52.7-169.100000112.8I57 Y61 L103 F104 S109 K110 G111 V112 V114I57-A107 HydrophobicContact CD1-CB 4.47Å; Y61-A107 HydrophobicContact CE2-CB 4.45Å; Y61-A107 WeakPolarHBondContact OH-CA 3.37Å; Y61-A107 PolarHBondContact OH-N 3.2Å; L103-A107 PolarHBondContact O-N 2.72Å; F104-A107 WeakPolarHBondContact O-CB 3.5Å; F104-A107 PolarHBondContact O-N 3.01Å; A107-S109 PolarHBondContact O-N 2.91Å; A107-K110 CarbonylContact O-C 3.57Å; A107-K110 PolarHBondContact O-N 2.99Å; A107-K110 VanDerWaalsContact O-N 3.08Å; A107-G111 PolarHBondContact O-N 3.49Å; A107-G111 VanDerWaalsContact O-N 3.11Å; A107-V112 CarbonylContact C-O 3.56Å; A107-V112 HydrophobicContact CB-CB 4.03Å; A107-V112 HydrophobicContact CB-CG1 4.39Å; A107-V112 PolarHBondContact O-N 3.34Å; A107-V114 HydrophobicContact CB-CG2 3.87Å
108E95.6Very high96.5Very high180 Ų18072 Ų7284%0.84138%0.384SS*.G310 helixtrans-59.3-48.5-179.8-176.6177.3-151.800111.9K106 K110 G111K106-E108 PolarHBondContact O-N 2.78Å; E108-K110 PolarHBondContact O-N 2.74Å; E108-K110 VanDerWaalsContact O-N 3.11Å; E108-G111 PolarHBondContact O-N 2.79Å
109S97.3Very high97Very high100 Ų10066.4 Ų66.470%0.69935%0.354SS*.G310 helixtrans-63.2-19.5178.675.40000113.9K106 A107K106-S109 PolarHBondContact O-N 2.77Å; K106-S109 VanDerWaalsContact O-N 3.14Å; K106-S109 PolarHBondContact O-OG 3.5Å; A107-S109 PolarHBondContact O-N 2.91Å
110K97.3Very high97.2Very high131 Ų13166.9 Ų66.957%0.5736%0.363SS*.G310 helixtrans-99.90.9178.4-67.5-68.3-174.2177.70112.9Y61 C64 K106 A107 E108 V112Y61-K110 HydrophobicContact CE1-CB 3.82Å; Y61-K110 HydrophobicContact CE1-CG 4Å; C64-K110 PolarHBondContact SG-O 2.81Å; C64-K110 VanDerWaalsContact SG-O 3.35Å; K106-K110 HydrophobicContact CB-CG 4.35Å; K106-K110 WeakPolarHBondContact O-CG 3.44Å; K106-K110 PolarHBondContact O-N 2.98Å; K106-K110 VanDerWaalsContact O-N 3.08Å; A107-K110 CarbonylContact O-C 3.57Å; A107-K110 PolarHBondContact O-N 2.99Å; A107-K110 VanDerWaalsContact O-N 3.08Å; E108-K110 PolarHBondContact O-N 2.74Å; E108-K110 VanDerWaalsContact O-N 3.11Å; K110-V112 VanDerWaalsContact C-N 3.32Å; K110-V112 HydrophobicContact CB-CG2 4.41Å
111G97.4Very high97.4Very high46 Ų4667.8 Ų67.847%0.47437%0.367SS..THydrogen-bonded Turntrans7618-179.800000114.2C64 A107 E108C64-G111 PolarHBondContact SG-O 3.29Å; C64-G111 VanDerWaalsContact SG-O 3.4Å; A107-G111 PolarHBondContact O-N 3.49Å; A107-G111 VanDerWaalsContact O-N 3.11Å; E108-G111 PolarHBondContact O-N 2.79Å
112V98.3Very high97.6Very high5 Ų571.3 Ų71.33%0.0338%0.383CS..  trans-86.9120.1174.2-178.30000108.5I57 A60 Y61 C64 A107 K110 V114I57-V112 HydrophobicContact CD1-CG1 4.19Å; A60-V112 HydrophobicContact CB-CG1 3.62Å; Y61-V112 HydrophobicContact CD1-CG2 3.76Å; Y61-V112 HydrophobicContact CD2-CB 4.44Å; Y61-V112 HydrophobicContact CD2-CG1 4.19Å; Y61-V112 HydrophobicContact CD2-CG2 3.77Å; Y61-V112 HydrophobicContact CE1-CG2 3.86Å; Y61-V112 HydrophobicContact CE2-CB 4.32Å; Y61-V112 HydrophobicContact CE2-CG1 4.35Å; Y61-V112 HydrophobicContact CE2-CG2 3.87Å; Y61-V112 HydrophobicContact CG-CG2 3.73Å; C64-V112 HydrophobicContact CB-CG2 3.79Å; A107-V112 CarbonylContact C-O 3.56Å; A107-V112 HydrophobicContact CB-CB 4.03Å; A107-V112 HydrophobicContact CB-CG1 4.39Å; A107-V112 PolarHBondContact O-N 3.34Å; K110-V112 VanDerWaalsContact C-N 3.32Å; K110-V112 HydrophobicContact CB-CG2 4.41Å; V112-V114 HydrophobicContact CG1-CG2 3.96Å; V112-V114 PolarHBondContact O-N 2.92Å
113V97.6Very high97.7Very high70 Ų7070.6 Ų70.642%0.42438%0.379SS..  trans-87.3109.7-175-177.80000109.8H70 R71 F72H70-V113 PolarHBondContact NE2-N 2.93Å; R71-V113 HydrophobicContact CB-CG1 4.4Å; R71-V113 HydrophobicContact CG-CG1 4.29Å; F72-V113 PolarHBondContact N-O 3.05Å
114V98.4Very high97.8Very high36 Ų3669 Ų6922%0.21837%0.371CS..EExtended strand (participates in β ladder)trans-124132.1-179.5-171.20000110.4I57 F72 T74 L77 F104 A107 V112I57-V114 HydrophobicContact CD1-CG2 3.74Å; F72-V114 HydrophobicContact CB-CG2 4.43Å; F72-V114 HydrophobicContact CD1-CB 4.44Å; F72-V114 HydrophobicContact CD1-CG1 3.81Å; F72-V114 HydrophobicContact CD1-CG2 3.98Å; F72-V114 HydrophobicContact CE1-CG1 4.26Å; F72-V114 HydrophobicContact CG-CG1 4.41Å; F72-V114 CarbonylContact O-C 3.52Å; F72-V114 WeakPolarHBondContact O-CA 3.49Å; T74-V114 HydrophobicContact CG2-CG1 4.33Å; L77-V114 HydrophobicContact CD2-CG1 3.84Å; F104-V114 HydrophobicContact CD1-CG1 4.12Å; F104-V114 HydrophobicContact CE1-CG1 3.83Å; A107-V114 HydrophobicContact CB-CG2 3.87Å; V112-V114 HydrophobicContact CG1-CG2 3.96Å; V112-V114 PolarHBondContact O-N 2.92Å
115N98.3Very high97.8Very high68 Ų6868.4 Ų68.436%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-126.1126179.1-66.892.9000110.1R71 F72 C73 T74 C117R71-N115 WeakPolarHBondContact CG-OD1 3.46Å; F72-N115 PolarHBondContact O-N 3.38Å; C73-N115 WeakPolarHBondContact CA-O 3.4Å; T74-N115 PolarHBondContact N-O 3.46Å; T74-N115 VanDerWaalsContact N-O 3.1Å; N115-C117 PolarHBondContact O-N 2.93Å
116K98.2Very high97.9Very high137 Ų13765.3 Ų65.360%0.59635%0.35SS*.EExtended strand (participates in β ladder)trans-81.692.6171.2-166.4-174.2-172.6-179.40110T74 Q75 L77T74-K116 CarbonylContact O-C 3.46Å; T74-K116 VanDerWaalsContact O-CA 3.23Å; T74-K116 WeakPolarHBondContact O-CA 3.37Å; Q75-K116 WeakPolarHBondContact O-CE 3.32Å; L77-K116 HydrophobicContact CD1-CB 4.02Å; L77-K116 HydrophobicContact CD1-CD 4.16Å; L77-K116 HydrophobicContact CD1-CG 4.49Å; L77-K116 HydrophobicContact CD2-CB 4.07Å; L77-K116 HydrophobicContact CG-CB 3.94Å; L77-K116 HydrophobicContact CG-CD 4.06Å; L77-K116 HydrophobicContact CG-CG 4.13Å
117C98Very high97.9Very high46 Ų4661.5 Ų61.531%0.31133%0.334SS..  trans-161.5155.7-179.263.60000112.3C73 T74 Q75 N115C73-C117 VanDerWaalsContact SG-SG 3.61Å; T74-C117 PolarHBondContact O-N 3.41Å; Q75-C117 PolarHBondContact NE2-O 3.26Å; N115-C117 PolarHBondContact O-N 2.93Å
118S97.8Very high97.9Very high63 Ų6361.4 Ų61.444%0.44133%0.332SS..  trans-77.4158164-69.90000109.6Q75 E218Q75-S118 PolarHBondContact NE2-OG 3.18Å; S118-E218 VanDerWaalsContact CB-OE2 3.26Å; S118-E218 WeakPolarHBondContact CB-OE2 3.32Å; S118-E218 PolarHBondContact OG-OE2 3.19Å
119V98.4Very high98Very high5 Ų557.5 Ų57.53%0.0331%0.311CS..  trans-124.3135.1177.2172.90000107.8C73 E123 I124 R211 I220 F222C73-V119 HydrophobicContact CB-CG2 3.63Å; V119-E123 HydrophobicContact CG1-CB 4.03Å; V119-I124 HydrophobicContact CG1-CD1 4.18Å; V119-I124 HydrophobicContact CG1-CG1 3.66Å; V119-R211 PolarHBondContact O-NH2 3.07Å; V119-I220 HydrophobicContact CB-CG2 4.14Å; V119-I220 HydrophobicContact CG2-CG2 3.68Å; V119-F222 HydrophobicContact CG1-CE2 3.91Å; V119-F222 HydrophobicContact CG1-CZ 3.59Å; V119-F222 HydrophobicContact CG2-CE2 3.95Å; V119-F222 HydrophobicContact CG2-CZ 4.48Å
120T98.4Very high98Very high63 Ų6357.7 Ų57.739%0.38730%0.301SS..  trans-86.2156.8176.963.40000111.7Q122 E123 I124T120-Q122 PolarHBondContact O-N 3.39Å; T120-E123 WeakPolarHBondContact CB-OE2 3.29Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.45Å; T120-E123 PolarHBondContact N-OE2 3.27Å; T120-E123 PolarHBondContact O-N 3.2Å; T120-E123 VanDerWaalsContact O-N 3.17Å; T120-E123 VanDerWaalsContact OG1-CG 3.32Å; T120-E123 WeakPolarHBondContact OG1-CG 3.26Å; T120-E123 PolarHBondContact OG1-N 3.04Å; T120-E123 PolarHBondContact OG1-OE2 2.87Å; T120-I124 PolarHBondContact O-N 2.84Å; T120-I124 VanDerWaalsContact O-N 3.15Å
121I98.1Very high98Very high19 Ų1952.1 Ų52.110%0.09728%0.28CS..Hα-helixtrans-59.8-31.7174.4-164.866.2000112I124 Q125 I188 I204 F207I121-I124 HydrophobicContact CD1-CD1 4.45Å; I121-I124 PolarHBondContact O-N 3.38Å; I121-Q125 HydrophobicContact CG1-CG 4.46Å; I121-Q125 WeakPolarHBondContact O-CB 3.4Å; I121-Q125 VanDerWaalsContact O-CG 3.28Å; I121-Q125 WeakPolarHBondContact O-CG 3.26Å; I121-Q125 PolarHBondContact O-N 3Å; I121-I188 HydrophobicContact CD1-CD1 3.81Å; I121-I188 HydrophobicContact CD1-CG1 4.12Å; I121-I204 HydrophobicContact CB-CG2 4.33Å; I121-I204 HydrophobicContact CD1-CG1 4.39Å; I121-I204 HydrophobicContact CD1-CG2 4.2Å; I121-I204 HydrophobicContact CG1-CD1 4.25Å; I121-I204 HydrophobicContact CG1-CG1 4.13Å; I121-I204 HydrophobicContact CG1-CG2 3.76Å; I121-I204 HydrophobicContact CG2-CG2 4.38Å; I121-F207 HydrophobicContact CD1-CD1 3.88Å; I121-F207 HydrophobicContact CD1-CE1 4.02Å
122Q97.9Very high98Very high123 Ų12350.9 Ų50.958%0.57526%0.262SS*.Hα-helixtrans-65.2-42.4177.3-67.578.57.700111.4T120 I124 Q125 E126T120-Q122 PolarHBondContact O-N 3.39Å; Q122-I124 VanDerWaalsContact C-N 3.33Å; Q122-Q125 PolarHBondContact O-N 3.01Å; Q122-E126 WeakPolarHBondContact O-CB 3.23Å; Q122-E126 PolarHBondContact O-N 2.94Å
123E98.5Very high98Very high83 Ų8350.6 Ų50.639%0.38826%0.26SS..Hα-helixtrans-63.5-39.7174.4-72.6166.497.200111.8V119 T120 H127V119-E123 HydrophobicContact CG1-CB 4.03Å; T120-E123 WeakPolarHBondContact CB-OE2 3.29Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.45Å; T120-E123 PolarHBondContact N-OE2 3.27Å; T120-E123 PolarHBondContact O-N 3.2Å; T120-E123 VanDerWaalsContact O-N 3.17Å; T120-E123 VanDerWaalsContact OG1-CG 3.32Å; T120-E123 WeakPolarHBondContact OG1-CG 3.26Å; T120-E123 PolarHBondContact OG1-N 3.04Å; T120-E123 PolarHBondContact OG1-OE2 2.87Å; E123-H127 WeakPolarHBondContact O-CB 3.4Å; E123-H127 PolarHBondContact O-N 3.49Å
124I98.7Very high98.1Very high1 Ų147.3 Ų47.31%0.00524%0.24CC..Hα-helixtrans-62.9-49.2174.8-61.3174000109.9V119 T120 I121 Q122 E126 H127 I128 V178 F207 I220 F222V119-I124 HydrophobicContact CG1-CD1 4.18Å; V119-I124 HydrophobicContact CG1-CG1 3.66Å; T120-I124 PolarHBondContact O-N 2.84Å; T120-I124 VanDerWaalsContact O-N 3.15Å; I121-I124 HydrophobicContact CD1-CD1 4.45Å; I121-I124 PolarHBondContact O-N 3.38Å; Q122-I124 VanDerWaalsContact C-N 3.33Å; I124-E126 PolarHBondContact O-N 3.38Å; I124-H127 WeakPolarHBondContact O-CB 3.25Å; I124-H127 PolarHBondContact O-N 2.79Å; I124-I128 HydrophobicContact CG2-CG1 4.41Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 3.43Å; I124-V178 HydrophobicContact CG2-CG1 4.12Å; I124-F207 HydrophobicContact CD1-CE1 3.88Å; I124-F207 HydrophobicContact CD1-CZ 4.39Å; I124-I220 HydrophobicContact CD1-CD1 3.78Å; I124-I220 HydrophobicContact CG1-CD1 3.75Å; I124-F222 HydrophobicContact CG1-CE1 4.37Å; I124-F222 HydrophobicContact CG1-CZ 4.15Å
125Q98.2Very high98.1Very high17 Ų1745.6 Ų45.68%0.07923%0.23CC..Hα-helixtrans-61.1-43.4179.5-73.6176.8-22.800112.3I121 Q122 H127 I128 Y129 F181I121-Q125 HydrophobicContact CG1-CG 4.46Å; I121-Q125 WeakPolarHBondContact O-CB 3.4Å; I121-Q125 VanDerWaalsContact O-CG 3.28Å; I121-Q125 WeakPolarHBondContact O-CG 3.26Å; I121-Q125 PolarHBondContact O-N 3Å; Q122-Q125 PolarHBondContact O-N 3.01Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; Q125-H127 PolarHBondContact O-N 3.4Å; Q125-I128 PolarHBondContact O-N 3.18Å; Q125-Y129 VanDerWaalsContact O-CB 3.25Å; Q125-Y129 WeakPolarHBondContact O-CB 3.38Å; Q125-Y129 PolarHBondContact O-N 3.25Å; Q125-F181 HydrophobicContact CB-CD1 4.06Å; Q125-F181 HydrophobicContact CB-CE1 4.05Å; Q125-F181 HydrophobicContact CB-CG 4.36Å; Q125-F181 HydrophobicContact CB-CZ 4.33Å; Q125-F181 HydrophobicContact CG-CB 4.15Å; Q125-F181 HydrophobicContact CG-CD1 3.95Å; Q125-F181 HydrophobicContact CG-CD2 4.2Å; Q125-F181 HydrophobicContact CG-CE1 4.41Å; Q125-F181 HydrophobicContact CG-CG 3.83Å; Q125-F181 WeakPolarHBondContact O-CE1 3.23Å
126E97.8Very high98.1Very high85 Ų8542.4 Ų42.440%0.39721%0.213SC..Hα-helixtrans-61.8-43.2177.1-175.856.4-142.800111.2Q122 I124 I128 Y129 Q130Q122-E126 WeakPolarHBondContact O-CB 3.23Å; Q122-E126 PolarHBondContact O-N 2.94Å; I124-E126 PolarHBondContact O-N 3.38Å; E126-I128 PolarHBondContact O-N 3.35Å; E126-Y129 PolarHBondContact O-N 3.42Å; E126-Q130 WeakPolarHBondContact O-CG 3.42Å; E126-Q130 PolarHBondContact O-N 3.25Å; E126-Q130 VanDerWaalsContact O-N 3.15Å; E126-Q130 PolarHBondContact OE1-NE2 3.38Å
127H98.1Very high98.2Very high10 Ų1036.3 Ų36.35%0.04619%0.187CC..Hα-helixtrans-60.1-47.3175.4-173.983.3000111.9E123 I124 Q125 Y129 Q130 H132 V133 F222 I223 F224E123-H127 WeakPolarHBondContact O-CB 3.4Å; E123-H127 PolarHBondContact O-N 3.49Å; I124-H127 WeakPolarHBondContact O-CB 3.25Å; I124-H127 PolarHBondContact O-N 2.79Å; Q125-H127 VanDerWaalsContact C-N 3.34Å; Q125-H127 PolarHBondContact O-N 3.4Å; H127-Y129 PolarHBondContact O-N 2.98Å; H127-Q130 PolarHBondContact O-N 3Å; H127-H132 VanDerWaalsContact CD2-CB 3.46Å; H127-H132 WeakPolarHBondContact CD2-CB 3Å; H127-H132 WeakPolarHBondContact CE1-CB 3.44Å; H127-H132 AromaticContact CE1-CD2 3.67Å; H127-H132 AromaticContact CE1-CG 3.84Å; H127-H132 AromaticContact ND1-CD2 3.64Å; H127-H132 WeakPolarHBondContact NE2-CB 3.34Å; H127-H132 VanDerWaalsContact O-CB 3.27Å; H127-H132 WeakPolarHBondContact O-CB 3.3Å; H127-H132 PolarHBondContact O-N 3.37Å; H127-V133 PolarHBondContact NE2-O 2.98Å; H127-F222 HydrophobicContact CB-CD1 4.04Å; H127-F222 HydrophobicContact CB-CE1 3.83Å; H127-F222 AromaticContact CD2-CD1 3.37Å; H127-F222 WeakPolarHBondContact CD2-CD1 3.38Å; H127-F222 AromaticContact CD2-CE1 3.93Å; H127-F222 AromaticContact CE1-CD1 3.75Å; H127-F222 AromaticContact CG-CD1 3.44Å; H127-F222 VanDerWaalsContact CG-CD1 3.44Å; H127-F222 AromaticContact CG-CE1 3.77Å; H127-F222 AromaticContact ND1-CD1 3.69Å; H127-F222 AromaticContact NE2-CD1 3.54Å; H127-I223 PolarHBondContact NE2-O 3Å; H127-F224 AromaticContact CE1-CD1 3.74Å; H127-F224 AromaticContact CE1-CE1 3.65Å; H127-F224 AromaticContact CE1-CZ 3.97Å; H127-F224 AromaticContact ND1-CE1 3.76Å
128I98.3Very high98.1Very high1 Ų134.1 Ų34.11%0.00517%0.172CC..Hα-helixtrans-66.1-37.5177.6-60.3-54.5000111.8V6 L8 I124 Q125 E126 Q130 G131 H132 V178 F181V6-I128 HydrophobicContact CG1-CG2 3.97Å; L8-I128 HydrophobicContact CD1-CG2 4.06Å; L8-I128 HydrophobicContact CG-CG2 4.31Å; I124-I128 HydrophobicContact CG2-CG1 4.41Å; I124-I128 VanDerWaalsContact O-CG1 3.32Å; I124-I128 WeakPolarHBondContact O-CG1 3.37Å; I124-I128 PolarHBondContact O-N 3.43Å; Q125-I128 PolarHBondContact O-N 3.18Å; E126-I128 PolarHBondContact O-N 3.35Å; I128-Q130 PolarHBondContact O-N 2.89Å; I128-G131 WeakPolarHBondContact O-CA 3.23Å; I128-G131 PolarHBondContact O-N 2.71Å; I128-H132 VanDerWaalsContact CD1-O 3.28Å; I128-H132 WeakPolarHBondContact CD1-O 3.26Å; I128-V178 HydrophobicContact CD1-CG1 4.15Å; I128-V178 VanDerWaalsContact CD1-O 3.31Å; I128-V178 WeakPolarHBondContact CD1-O 3.28Å; I128-V178 HydrophobicContact CG1-CG1 4.07Å; I128-F181 HydrophobicContact CB-CD1 4.11Å; I128-F181 HydrophobicContact CB-CE1 4.19Å; I128-F181 HydrophobicContact CG2-CD1 4.03Å; I128-F181 HydrophobicContact CG2-CE1 4.23Å
129Y97.3Very high98Very high99 Ų9931.9 Ų31.939%0.38816%0.155SC..Hα-helixtrans-60-34.9178-178.5-98.6000111.9D3 V6 Q125 E126 H127 G131 F181D3-Y129 HydrophobicContact CB-CE2 4.37Å; V6-Y129 HydrophobicContact CG2-CD2 3.83Å; Q125-Y129 VanDerWaalsContact O-CB 3.25Å; Q125-Y129 WeakPolarHBondContact O-CB 3.38Å; Q125-Y129 PolarHBondContact O-N 3.25Å; E126-Y129 PolarHBondContact O-N 3.42Å; H127-Y129 PolarHBondContact O-N 2.98Å; Y129-G131 PolarHBondContact O-N 3.05Å; Y129-G131 VanDerWaalsContact O-N 3.13Å; Y129-F181 HydrophobicContact CD2-CZ 4.26Å
130Q96.8Very high97.6Very high104 Ų10432 Ų3249%0.48616%0.156SC..THydrogen-bonded Turntrans-746.5174.5-65.1173.318.400113.8E126 H127 I128 H132E126-Q130 WeakPolarHBondContact O-CG 3.42Å; E126-Q130 PolarHBondContact O-N 3.25Å; E126-Q130 VanDerWaalsContact O-N 3.15Å; E126-Q130 PolarHBondContact OE1-NE2 3.38Å; H127-Q130 PolarHBondContact O-N 3Å; I128-Q130 PolarHBondContact O-N 2.89Å; Q130-H132 VanDerWaalsContact C-N 3.29Å; Q130-H132 PolarHBondContact O-N 3Å
131G97.2Very high97.1Very high13 Ų1331.4 Ų31.413%0.13415%0.153CC..THydrogen-bonded Turntrans79.311.717900000114Y32 I128 Y129Y32-G131 WeakPolarHBondContact CE1-O 3.22Å; Y32-G131 PolarHBondContact OH-O 3.3Å; Y32-G131 VanDerWaalsContact OH-O 3.12Å; I128-G131 WeakPolarHBondContact O-CA 3.23Å; I128-G131 PolarHBondContact O-N 2.71Å; Y129-G131 PolarHBondContact O-N 3.05Å; Y129-G131 VanDerWaalsContact O-N 3.13Å
132H98.1Very high96.8Very high20 Ų2031.9 Ų31.99%0.09316%0.156CC..  trans-87.7172.6174.5-50.4-29.6000111.3L8 H127 I128 Q130 I223 F224 K225L8-H132 WeakPolarHBondContact CD1-O 3.25Å; H127-H132 VanDerWaalsContact CD2-CB 3.46Å; H127-H132 WeakPolarHBondContact CD2-CB 3Å; H127-H132 WeakPolarHBondContact CE1-CB 3.44Å; H127-H132 AromaticContact CE1-CD2 3.67Å; H127-H132 AromaticContact CE1-CG 3.84Å; H127-H132 AromaticContact ND1-CD2 3.64Å; H127-H132 WeakPolarHBondContact NE2-CB 3.34Å; H127-H132 VanDerWaalsContact O-CB 3.27Å; H127-H132 WeakPolarHBondContact O-CB 3.3Å; H127-H132 PolarHBondContact O-N 3.37Å; I128-H132 VanDerWaalsContact CD1-O 3.28Å; I128-H132 WeakPolarHBondContact CD1-O 3.26Å; Q130-H132 VanDerWaalsContact C-N 3.29Å; Q130-H132 PolarHBondContact O-N 3Å; H132-I223 WeakPolarHBondContact CB-O 3.22Å; H132-F224 AromaticContact CD2-CD1 3.72Å; H132-F224 AromaticContact NE2-CD1 3.79Å; H132-K225 WeakPolarHBondContact ND1-CB 3.41Å; H132-K225 PolarHBondContact ND1-N 3.23Å; H132-K225 VanDerWaalsContact ND1-N 3.11Å
133V98.5Very high96.6Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-134.7164.4178.7-63.60000111.2L8 V10 V29 Y32 L33 H127 V177 I223L8-V133 HydrophobicContact CD1-CG1 3.86Å; V10-V133 HydrophobicContact CG2-CG1 3.61Å; V29-V133 HydrophobicContact CB-CG2 3.73Å; V29-V133 HydrophobicContact CG1-CB 4.41Å; V29-V133 HydrophobicContact CG1-CG2 3.53Å; Y32-V133 HydrophobicContact CD1-CG1 3.71Å; Y32-V133 HydrophobicContact CD1-CG2 4.41Å; Y32-V133 HydrophobicContact CE1-CG1 3.71Å; L33-V133 HydrophobicContact CD1-CG2 3.67Å; L33-V133 HydrophobicContact CG-CG2 4.24Å; H127-V133 PolarHBondContact NE2-O 2.98Å; V133-V177 HydrophobicContact CB-CG1 4.27Å; V133-I223 HydrophobicContact CG2-CB 4.35Å; V133-I223 PolarHBondContact N-O 3.08Å; V133-I223 PolarHBondContact O-N 2.88Å; V133-I223 VanDerWaalsContact O-O 3.07Å
134A98.8Very high96.2Very high0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-133.5139176.200000111.4V136 V177 V178 I220 L221 F222A134-V136 HydrophobicContact CB-CG2 4.23Å; A134-V177 CarbonylContact O-C 3.5Å; A134-V177 WeakPolarHBondContact O-CA 3.48Å; A134-V178 PolarHBondContact N-O 3.29Å; A134-V178 PolarHBondContact O-N 3.48Å; A134-I220 HydrophobicContact CB-CD1 3.92Å; A134-I220 HydrophobicContact CB-CG1 3.96Å; A134-L221 CarbonylContact C-O 3.53Å; A134-L221 VanDerWaalsContact CA-O 3.28Å; A134-L221 WeakPolarHBondContact CA-O 3.05Å; A134-F222 HydrophobicContact CB-CD1 3.93Å; A134-F222 HydrophobicContact CB-CE1 4.28Å
135I98.9Very high95.9Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-91.9126.8164.5-59.1174.3000107C25 V29 L59 M63 F175 V176 V177 L221 I223C25-I135 HydrophobicContact CB-CD1 3.99Å; C25-I135 HydrophobicContact CB-CG1 4.06Å; C25-I135 HydrophobicContact CB-CG2 3.95Å; V29-I135 HydrophobicContact CG1-CD1 4.24Å; V29-I135 HydrophobicContact CG1-CG1 3.89Å; V29-I135 HydrophobicContact CG2-CD1 3.95Å; V29-I135 HydrophobicContact CG2-CG1 4.46Å; L59-I135 HydrophobicContact CD1-CD1 4.43Å; L59-I135 HydrophobicContact CD1-CG2 4.03Å; M63-I135 HydrophobicContact CE-CD1 4.45Å; I135-F175 HydrophobicContact CG2-CB 4.13Å; I135-F175 HydrophobicContact CG2-CD1 3.75Å; I135-F175 HydrophobicContact CG2-CG 4.25Å; I135-V176 WeakPolarHBondContact CA-O 3.45Å; I135-V177 HydrophobicContact CG1-CG2 4.29Å; I135-L221 HydrophobicContact CB-CB 4.34Å; I135-L221 HydrophobicContact CD1-CD2 4.46Å; I135-L221 PolarHBondContact N-O 2.49Å; I135-L221 PolarHBondContact O-N 3.04Å; I135-I223 HydrophobicContact CB-CD1 4.39Å; I135-I223 HydrophobicContact CD1-CD1 4.16Å; I135-I223 HydrophobicContact CG1-CD1 3.8Å
136V98.9Very high95.5Very high1 Ų132.2 Ų32.21%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-124.3130.9-174.4-1740000109.4A134 V138 F175 V176 V178 F207 R211 I220A134-V136 HydrophobicContact CB-CG2 4.23Å; V136-V138 HydrophobicContact CG1-CG1 4.1Å; V136-F175 WeakPolarHBondContact O-CA 3.44Å; V136-V176 HydrophobicContact CB-CG2 4.3Å; V136-V176 PolarHBondContact N-O 3.34Å; V136-V176 PolarHBondContact O-N 3.4Å; V136-V178 HydrophobicContact CB-CG2 4.36Å; V136-V178 HydrophobicContact CG2-CB 4.41Å; V136-V178 HydrophobicContact CG2-CG2 3.59Å; V136-F207 HydrophobicContact CB-CZ 4.47Å; V136-F207 HydrophobicContact CG1-CE2 4.16Å; V136-F207 HydrophobicContact CG1-CZ 4.01Å; V136-F207 HydrophobicContact CG2-CZ 4.2Å; V136-R211 HydrophobicContact CG1-CB 3.87Å; V136-I220 HydrophobicContact CG2-CD1 3.83Å; V136-I220 HydrophobicContact CG2-CG1 3.93Å
137L98.6Very high95Very high10 Ų1033.4 Ų33.45%0.05217%0.174CC..EExtended strand (participates in β ladder)trans-81.9127169.4-17557.8000109F175 T216 D219L137-F175 HydrophobicContact CB-CD1 4.08Å; L137-F175 HydrophobicContact CB-CE1 3.77Å; L137-F175 HydrophobicContact CD1-CD1 4.11Å; L137-F175 HydrophobicContact CD1-CD2 4.45Å; L137-F175 HydrophobicContact CD1-CE1 3.9Å; L137-F175 HydrophobicContact CD1-CE2 4.25Å; L137-F175 HydrophobicContact CD1-CG 4.4Å; L137-F175 HydrophobicContact CD1-CZ 3.97Å; L137-F175 HydrophobicContact CG-CE1 4.28Å; L137-T216 HydrophobicContact CG-CG2 4.39Å; L137-D219 HydrophobicContact CB-CB 3.79Å; L137-D219 HydrophobicContact CD2-CB 4.17Å; L137-D219 PolarHBondContact N-O 3.22Å
138V97.4Very high94.2Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-126155.2179.2-64.40000110.7V136 A140 L143 H174 V176 F207 A210 R211V136-V138 HydrophobicContact CG1-CG1 4.1Å; V138-A140 PolarHBondContact O-N 3.39Å; V138-L143 HydrophobicContact CB-CD2 4.42Å; V138-L143 HydrophobicContact CG1-CD2 4.47Å; V138-L143 HydrophobicContact CG2-CD2 3.85Å; V138-H174 HydrophobicContact CG2-CB 4.29Å; V138-H174 WeakPolarHBondContact CG2-O 3.06Å; V138-H174 PolarHBondContact N-O 3.49Å; V138-H174 PolarHBondContact O-N 2.77Å; V138-V176 HydrophobicContact CG1-CG2 4.13Å; V138-V176 HydrophobicContact CG2-CG1 4.21Å; V138-V176 HydrophobicContact CG2-CG2 4.41Å; V138-F207 HydrophobicContact CG1-CE2 4.49Å; V138-A210 HydrophobicContact CB-CB 4.25Å; V138-R211 HydrophobicContact CG1-CB 4.11Å
139N94.3Very high92.5Very high16 Ų1639.7 Ų39.79%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-77105.6160-175.3-1.2000109.4V141 V142 L143 Y171 Q172 A210 S213 T216N139-V141 PolarHBondContact O-N 2.88Å; N139-V141 VanDerWaalsContact O-N 3.11Å; N139-V141 WeakPolarHBondContact OD1-CB 3.31Å; N139-V141 PolarHBondContact OD1-N 2.75Å; N139-V142 HydrophobicContact CB-CB 4.33Å; N139-V142 HydrophobicContact CB-CG2 4.24Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.45Å; N139-V142 PolarHBondContact O-N 2.76Å; N139-L143 PolarHBondContact O-N 2.85Å; N139-L143 VanDerWaalsContact O-N 3.08Å; N139-Y171 HydrophobicContact CB-CD2 3.99Å; N139-Y171 HydrophobicContact CB-CE2 4.05Å; N139-Q172 PolarHBondContact OD1-N 2.6Å; N139-A210 PolarHBondContact N-O 2.82Å; N139-S213 VanDerWaalsContact CB-CB 3.49Å; N139-T216 HydrophobicContact CB-CG2 4.47Å
140A90.9Very high90.7Very high6 Ų638.9 Ų38.95%0.0523%0.228CC..THydrogen-bonded Turntrans-62.6-20.5-175.900000113.4V138 Y154 Q172 H174V138-A140 PolarHBondContact O-N 3.39Å; A140-Y154 HydrophobicContact CB-CD1 4.34Å; A140-Y154 HydrophobicContact CB-CD2 3.49Å; A140-Y154 VanDerWaalsContact CB-CD2 3.49Å; A140-Y154 HydrophobicContact CB-CE1 4.27Å; A140-Y154 HydrophobicContact CB-CE2 3.36Å; A140-Y154 HydrophobicContact CB-CG 3.99Å; A140-Q172 HydrophobicContact CB-CB 4.38Å; A140-Q172 WeakPolarHBondContact CB-O 3.29Å; A140-Q172 PolarHBondContact N-O 2.78Å; A140-H174 HydrophobicContact CB-CB 3.61Å
141V87.6Confident88.7Confident52 Ų5238.9 Ų38.932%0.31524%0.237SC..THydrogen-bonded Turntrans-75-30.4175.9173.90000112.3N139 P169 E170 Q172N139-V141 PolarHBondContact O-N 2.88Å; N139-V141 VanDerWaalsContact O-N 3.11Å; N139-V141 WeakPolarHBondContact OD1-CB 3.31Å; N139-V141 PolarHBondContact OD1-N 2.75Å; V141-P169 HydrophobicContact CB-CB 4.46Å; V141-P169 HydrophobicContact CG1-CB 3.8Å; V141-P169 HydrophobicContact CG1-CG 3.48Å; V141-P169 VanDerWaalsContact CG1-CG 3.48Å; V141-P169 HydrophobicContact CG2-CB 3.77Å; V141-P169 HydrophobicContact CG2-CG 4.33Å; V141-E170 WeakPolarHBondContact CG2-O 3.25Å; V141-Q172 HydrophobicContact CG2-CB 4.09Å
142V91.8Very high86.7Confident29 Ų2940.4 Ų40.418%0.17624%0.243CC..THydrogen-bonded Turntrans-90.4-34.4-178.7175.10000110.9N139 V144 N206 E209 A210N139-V142 HydrophobicContact CB-CB 4.33Å; N139-V142 HydrophobicContact CB-CG2 4.24Å; N139-V142 WeakPolarHBondContact ND2-CG2 3.45Å; N139-V142 PolarHBondContact O-N 2.76Å; V142-V144 PolarHBondContact O-N 2.95Å; V142-N206 PolarHBondContact O-ND2 3Å; V142-E209 HydrophobicContact CG1-CB 3.97Å; V142-E209 HydrophobicContact CG1-CG 3.65Å; V142-A210 HydrophobicContact CB-CB 4.08Å; V142-A210 HydrophobicContact CG1-CB 3.92Å
143L93.1Very high84.6Confident20 Ų2045.6 Ų45.611%0.10527%0.266CS..  trans-68.2113.3-177.6-169.766.9000112V138 N139 V176 Y190 T202 A210V138-L143 HydrophobicContact CB-CD2 4.42Å; V138-L143 HydrophobicContact CG1-CD2 4.47Å; V138-L143 HydrophobicContact CG2-CD2 3.85Å; N139-L143 PolarHBondContact O-N 2.85Å; N139-L143 VanDerWaalsContact O-N 3.08Å; L143-V176 HydrophobicContact CD2-CG1 4.3Å; L143-Y190 HydrophobicContact CD2-CD2 4.47Å; L143-Y190 HydrophobicContact CD2-CE2 3.74Å; L143-T202 HydrophobicContact CD1-CG2 3.98Å; L143-A210 HydrophobicContact CB-CB 3.82Å; L143-A210 HydrophobicContact CD1-CB 3.96Å; L143-A210 HydrophobicContact CG-CB 4.49Å
144V90.7Very high82.6Confident79 Ų7947 Ų4748%0.47927%0.271SS..  trans-106130.6177.4-179.20000109.4V142 T202 N206V142-V144 PolarHBondContact O-N 2.95Å; V144-T202 WeakPolarHBondContact O-CB 3.42Å; V144-T202 PolarHBondContact O-OG1 3.18Å; V144-N206 PolarHBondContact N-OD1 3.49Å; V144-N206 PolarHBondContact O-OD1 3.08Å
145C92.3Very high80.3Confident20 Ų2049 Ų4914%0.13529%0.285CS..  trans-95.3126.4172.5-177.20000110.3L147 C148 Y190 C200 C201C145-L147 VanDerWaalsContact C-N 3.3Å; C145-L147 PolarHBondContact O-N 3.22Å; C145-C148 HydrophobicContact CB-CB 3.9Å; C145-C148 PolarHBondContact SG-SG 2.95Å; C145-Y190 WeakPolarHBondContact CB-OH 3.19Å; C145-C200 HydrophobicContact CB-CB 4.43Å; C145-C200 VanDerWaalsContact SG-CB 3.56Å; C145-C201 CarbonylContact C-O 3.49Å; C145-C201 VanDerWaalsContact CA-O 3.26Å; C145-C201 WeakPolarHBondContact CA-O 3.4Å; C145-C201 PolarHBondContact SG-O 2.63Å; C145-C201 VanDerWaalsContact SG-O 3.41Å
146E90.9Very high78.1Confident112 Ų11251.8 Ų51.852%0.52330%0.303SS..SBendtrans-76.2-19.1-179.9-65.7176.1159.100112.7C201E146-C201 PolarHBondContact N-O 3.11Å
147L87.6Confident75.9Confident110 Ų11057.9 Ų57.958%0.57633%0.33SS*.SBendtrans-94.8-21.6179.6-61175.2000113.3C145 C201C145-L147 VanDerWaalsContact C-N 3.3Å; C145-L147 PolarHBondContact O-N 3.22Å; L147-C201 HydrophobicContact CD1-CB 3.49Å; L147-C201 VanDerWaalsContact CD1-CB 3.49Å; L147-C201 HydrophobicContact CG-CB 3.76Å
148C81Confident73.3Confident16 Ų1660.5 Ų60.511%0.10834%0.344CS..  trans-90.8120.7-175.4-66.90000110.2C145 S150C145-C148 HydrophobicContact CB-CB 3.9Å; C145-C148 PolarHBondContact SG-SG 2.95Å; C148-S150 PolarHBondContact O-N 3.45Å
149S63Low70.5Confident126 Ų12664.9 Ų64.988%0.88137%0.372SS*.SBendtrans-65-5.5-178.5-40.30000114.5
150S57.8Low68.1Low83 Ų8371.7 Ų71.758%0.5841%0.414SS*.SBendtrans-150.6129.7175.1-68.90000110C148C148-S150 PolarHBondContact O-N 3.45Å
151P56.1Low65.9Low103 Ų10374.6 Ų74.667%0.66944%0.444SS*.  trans-61.2144.6172.723.2-29.4000109.6K153P151-K153 PolarHBondContact O-N 2.78Å; P151-K153 VanDerWaalsContact O-N 3.16Å
152V54.7Low63.8Low46 Ų4677.2 Ų77.228%0.27945%0.453SS..  trans-62120.7171.5-175.70000107.3Y154 A194 Y195V152-Y154 HydrophobicContact CB-CD2 3.95Å; V152-Y154 HydrophobicContact CB-CE1 4.06Å; V152-Y154 HydrophobicContact CB-CE2 3.37Å; V152-Y154 VanDerWaalsContact CB-CZ 3.41Å; V152-Y154 HydrophobicContact CG1-CD1 3.79Å; V152-Y154 HydrophobicContact CG1-CD2 4.01Å; V152-Y154 HydrophobicContact CG1-CE1 3.37Å; V152-Y154 HydrophobicContact CG1-CE2 3.64Å; V152-Y154 HydrophobicContact CG1-CG 4.08Å; V152-Y154 HydrophobicContact CG2-CE2 4.22Å; V152-Y154 WeakPolarHBondContact O-CD2 3.44Å; V152-Y154 PolarHBondContact O-N 3.15Å; V152-Y154 VanDerWaalsContact O-N 3.08Å; V152-A194 HydrophobicContact CG1-CB 4.46Å; V152-A194 HydrophobicContact CG2-CB 4.31Å; V152-Y195 HydrophobicContact CG2-CE1 4.21Å; V152-Y195 HydrophobicContact CG2-CE2 3.75Å; V152-Y195 WeakPolarHBondContact CG2-OH 3.2Å
153K54.1Low61.6Low128 Ų12883.8 Ų83.856%0.55748%0.48SS*.  trans-80.790.5179.6-70-174-179.2176.40109.4P151 Q162P151-K153 PolarHBondContact O-N 2.78Å; P151-K153 VanDerWaalsContact O-N 3.16Å; K153-Q162 PolarHBondContact NZ-O 3.22Å
154Y55.8Low59.7Low31 Ų3184.7 Ų84.712%0.12249%0.487CS..  trans-82.6-17.1179.5-59-80.1000114.3A140 V152 C156 Q172 N192A140-Y154 HydrophobicContact CB-CD1 4.34Å; A140-Y154 HydrophobicContact CB-CD2 3.49Å; A140-Y154 VanDerWaalsContact CB-CD2 3.49Å; A140-Y154 HydrophobicContact CB-CE1 4.27Å; A140-Y154 HydrophobicContact CB-CE2 3.36Å; A140-Y154 HydrophobicContact CB-CG 3.99Å; V152-Y154 HydrophobicContact CB-CD2 3.95Å; V152-Y154 HydrophobicContact CB-CE1 4.06Å; V152-Y154 HydrophobicContact CB-CE2 3.37Å; V152-Y154 VanDerWaalsContact CB-CZ 3.41Å; V152-Y154 HydrophobicContact CG1-CD1 3.79Å; V152-Y154 HydrophobicContact CG1-CD2 4.01Å; V152-Y154 HydrophobicContact CG1-CE1 3.37Å; V152-Y154 HydrophobicContact CG1-CE2 3.64Å; V152-Y154 HydrophobicContact CG1-CG 4.08Å; V152-Y154 HydrophobicContact CG2-CE2 4.22Å; V152-Y154 WeakPolarHBondContact O-CD2 3.44Å; V152-Y154 PolarHBondContact O-N 3.15Å; V152-Y154 VanDerWaalsContact O-N 3.08Å; Y154-C156 PolarHBondContact O-N 2.93Å; Y154-Q172 VanDerWaalsContact C-OE1 3.28Å; Y154-Q172 VanDerWaalsContact CB-CD 3.44Å; Y154-Q172 PolarHBondContact O-NE2 3.02Å; Y154-Q172 PolarHBondContact O-OE1 3.21Å; Y154-N192 PolarHBondContact OH-ND2 2.93Å
155C51.2Low58.1Low41 Ų4190.4 Ų90.428%0.27751%0.506SS..THydrogen-bonded Turntrans-49.9-25.1-172.6154.50000116.3C164 C166 P169C155-C164 HydrophobicContact CB-CB 4.28Å; C155-C164 WeakPolarHBondContact SG-CB 3.45Å; C155-C164 PolarHBondContact SG-SG 2.91Å; C155-C166 WeakPolarHBondContact CB-SG 3.41Å; C155-C166 WeakPolarHBondContact SG-CB 3.14Å; C155-C166 CovalentContact SG-SG 2.03Å; C155-C166 PolarHBondContact SG-SG 2.89Å; C155-P169 HydrophobicContact CB-CB 4.24Å
156C51.4Low56.3Low59 Ų5992.1 Ų92.140%0.39952%0.518SS..THydrogen-bonded Turntrans-15522.3171.4-17.10000116.7Y154 L158 C164Y154-C156 PolarHBondContact O-N 2.93Å; C156-L158 HydrophobicContact CB-CG 4.03Å; C156-L158 PolarHBondContact O-N 2.59Å; C156-C164 WeakPolarHBondContact CB-SG 3.45Å; C156-C164 WeakPolarHBondContact SG-CB 3.33Å; C156-C164 CovalentContact SG-SG 2.05Å; C156-C164 PolarHBondContact SG-SG 3.33Å
157F53Low54.6Low128 Ų12898.1 Ų98.156%0.56154%0.535SS*.  trans4832-171-63.6-79.8000114H18H18-F157 HydrophobicContact CB-CD1 3.95Å; H18-F157 HydrophobicContact CB-CE1 3.4Å; H18-F157 HydrophobicContact CB-CE2 4.33Å; H18-F157 HydrophobicContact CB-CZ 3.62Å
158L43.8Very low53.2Low66 Ų66102.2 Ų102.235%0.34655%0.548SS..PPolyproline II helixtrans-73.3147.7178.4-68.2-177.8000110.6C156 Q162 C164C156-L158 HydrophobicContact CB-CG 4.03Å; C156-L158 PolarHBondContact O-N 2.59Å; L158-Q162 HydrophobicContact CB-CB 4.22Å; L158-Q162 HydrophobicContact CD1-CB 3.95Å; L158-C164 HydrophobicContact CD1-CB 4.26Å; L158-C164 WeakPolarHBondContact CD1-SG 3.16Å
159P40.2Very low52.4Low91 Ų91104.4 Ų104.459%0.59156%0.562SS**PPolyproline II helixtrans-52.6149.3170.4-23.733.1000112.1G161 Q162P159-G161 PolarHBondContact O-N 3.23Å; P159-Q162 PolarHBondContact O-N 2.87Å
160V43.3Very low53.1Low159 Ų159104.3 Ų104.396%0.96455%0.548SS*.THydrogen-bonded Turntrans-49.6124.5174.8-179.40000109.5
161G44.3Very low54.4Low67 Ų67101 Ų10169%0.69152%0.523SS*.THydrogen-bonded Turntrans108.8-13.8176.200000116.2P159P159-G161 PolarHBondContact O-N 3.23Å
162Q43.8Very low55.9Low108 Ų10897.3 Ų97.351%0.50550%0.497SS..  trans-86.8146.8174.7-77.5-176.7-10.100113K153 L158 P159K153-Q162 PolarHBondContact NZ-O 3.22Å; L158-Q162 HydrophobicContact CB-CB 4.22Å; L158-Q162 HydrophobicContact CD1-CB 3.95Å; P159-Q162 PolarHBondContact O-N 2.87Å
163K45.3Very low57.6Low167 Ų16795.7 Ų95.773%0.72649%0.489SS*.  trans-90.4113.9171.1-68.8-177.9178.81790107.9
164C54.3Low59.6Low39 Ų3989.9 Ų89.926%0.26446%0.464SS..  trans-72.7136.6162-81.40000108.6C155 C156 L158 C166C155-C164 HydrophobicContact CB-CB 4.28Å; C155-C164 WeakPolarHBondContact SG-CB 3.45Å; C155-C164 PolarHBondContact SG-SG 2.91Å; C156-C164 WeakPolarHBondContact CB-SG 3.45Å; C156-C164 WeakPolarHBondContact SG-CB 3.33Å; C156-C164 CovalentContact SG-SG 2.05Å; C156-C164 PolarHBondContact SG-SG 3.33Å; L158-C164 HydrophobicContact CD1-CB 4.26Å; L158-C164 WeakPolarHBondContact CD1-SG 3.16Å; C164-C166 VanDerWaalsContact C-N 3.29Å
165F55.2Low61.6Low198 Ų19889 Ų8987%0.86846%0.461SS*.  trans-94.320.8171.5-64.5-87.2000112.1R167F165-R167 PolarHBondContact O-N 2.74Å
166C56.5Low63.9Low57 Ų5787 Ų8739%0.38545%0.448SS..  trans-68.3134.3179.990.30000109.6C155 C164C155-C166 WeakPolarHBondContact CB-SG 3.41Å; C155-C166 WeakPolarHBondContact SG-CB 3.14Å; C155-C166 CovalentContact SG-SG 2.03Å; C155-C166 PolarHBondContact SG-SG 2.89Å; C164-C166 VanDerWaalsContact C-N 3.29Å
167R55.2Low66.1Low238 Ų23884.2 Ų84.290%0.89843%0.429SS*.SBendtrans-57.2155.9168.7-72.3-178.5175.8-179.9-0.8107.9F165F165-R167 PolarHBondContact O-N 2.74Å
168K57Low68.3Low195 Ų19578.1 Ų78.185%0.84840%0.402SS*.SBendtrans-15.6115.1-174.1-78.8-171.8177.9-176.10112.6E170K168-E170 PolarHBondContact O-N 3.38Å
169P64.8Low70.9Confident62 Ų6275 Ų7540%0.40339%0.386SS..PPolyproline II helixtrans-52.8128.2-17416.3-28.3000111V141 C155V141-P169 HydrophobicContact CB-CB 4.46Å; V141-P169 HydrophobicContact CG1-CB 3.8Å; V141-P169 HydrophobicContact CG1-CG 3.48Å; V141-P169 VanDerWaalsContact CG1-CG 3.48Å; V141-P169 HydrophobicContact CG2-CB 3.77Å; V141-P169 HydrophobicContact CG2-CG 4.33Å; C155-P169 HydrophobicContact CB-CB 4.24Å
170E76.6Confident73.7Confident124 Ų12470.6 Ų70.658%0.57936%0.357SS*.PPolyproline II helixtrans-71.2165.3177.6-66.3176.116200110.1S87 V141 K168 Q172S87-E170 WeakPolarHBondContact CB-OE2 3.47Å; S87-E170 PolarHBondContact OG-OE2 2.93Å; V141-E170 WeakPolarHBondContact CG2-O 3.25Å; K168-E170 PolarHBondContact O-N 3.38Å; E170-Q172 PolarHBondContact O-N 3.49Å
171Y85.3Confident76.3Confident14 Ų1463.1 Ų63.16%0.05531%0.312CS..PPolyproline II helixtrans-47134.1178.7166.1-93.7000111.7F88 Y89 N139 G173 Y214 G215 T216F88-Y171 HydrophobicContact CB-CD1 4.01Å; F88-Y171 HydrophobicContact CB-CE1 4.42Å; F88-Y171 HydrophobicContact CD1-CD1 4.28Å; F88-Y171 AromaticContact CD1-CE1 3.82Å; F88-Y171 HydrophobicContact CD1-CE1 3.82Å; F88-Y171 HydrophobicContact CE1-CE1 4.34Å; F88-Y171 HydrophobicContact CG-CD1 4.21Å; F88-Y171 HydrophobicContact CG-CE1 4.17Å; Y89-Y171 HydrophobicContact CD2-CE1 4.41Å; Y89-Y171 HydrophobicContact CE2-CD1 4.11Å; Y89-Y171 AromaticContact CE2-CE1 3.51Å; Y89-Y171 HydrophobicContact CE2-CE1 3.51Å; Y89-Y171 AromaticContact CZ-CE1 3.81Å; Y89-Y171 PolarHBondContact OH-OH 3.45Å; N139-Y171 HydrophobicContact CB-CD2 3.99Å; N139-Y171 HydrophobicContact CB-CE2 4.05Å; Y171-G173 WeakPolarHBondContact OH-CA 3.5Å; Y171-Y214 VanDerWaalsContact CD2-O 3.26Å; Y171-Y214 WeakPolarHBondContact CD2-O 3.44Å; Y171-G215 VanDerWaalsContact CZ-C 3.43Å; Y171-G215 VanDerWaalsContact CZ-O 3.22Å; Y171-G215 PolarHBondContact OH-O 2.05Å; Y171-T216 HydrophobicContact CE2-CG2 3.76Å
172Q87.4Confident78.8Confident25 Ų2561.4 Ų61.412%0.11729%0.287CS..  trans-136.5106.6175.1-168.7147.59.400110.8F88 N139 A140 V141 Y154 E170F88-Q172 HydrophobicContact CD2-CG 4.23Å; F88-Q172 HydrophobicContact CE2-CG 4.1Å; N139-Q172 PolarHBondContact OD1-N 2.6Å; A140-Q172 HydrophobicContact CB-CB 4.38Å; A140-Q172 WeakPolarHBondContact CB-O 3.29Å; A140-Q172 PolarHBondContact N-O 2.78Å; V141-Q172 HydrophobicContact CG2-CB 4.09Å; Y154-Q172 VanDerWaalsContact C-OE1 3.28Å; Y154-Q172 VanDerWaalsContact CB-CD 3.44Å; Y154-Q172 PolarHBondContact O-NE2 3.02Å; Y154-Q172 PolarHBondContact O-OE1 3.21Å; E170-Q172 PolarHBondContact O-N 3.49Å
173G91.8Very high81.2Confident12 Ų1261.1 Ų61.112%0.12428%0.281CS..EExtended strand (participates in β ladder)trans-65.7132.8176.500000111.2Y171Y171-G173 WeakPolarHBondContact OH-CA 3.5Å
174H95.3Very high83.6Confident7 Ų757.3 Ų57.33%0.03228%0.276CS..EExtended strand (participates in β ladder)trans-147.9135.7176.4-17565.7000110.6Q15 V138 A140 N192Q15-H174 PolarHBondContact OE1-CE1 3.49Å; Q15-H174 VanDerWaalsContact OE1-CE1 3.3Å; V138-H174 HydrophobicContact CG2-CB 4.29Å; V138-H174 WeakPolarHBondContact CG2-O 3.06Å; V138-H174 PolarHBondContact N-O 3.49Å; V138-H174 PolarHBondContact O-N 2.77Å; A140-H174 HydrophobicContact CB-CB 3.61Å; H174-N192 PolarHBondContact NE2-OD1 3.3Å
175F98.4Very high85.5Confident11 Ų1159.7 Ų59.75%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-90137.9176.4-70-73.3000111.1C25 T56 L59 I135 V136 L137 P193C25-F175 PolarHBondContact SG-O 3.1Å; T56-F175 HydrophobicContact CG2-CE1 4.36Å; T56-F175 VanDerWaalsContact OG1-CE1 3.31Å; T56-F175 WeakPolarHBondContact OG1-CE1 3.18Å; T56-F175 WeakPolarHBondContact OG1-CZ 3.46Å; L59-F175 HydrophobicContact CD1-CD1 4.21Å; L59-F175 HydrophobicContact CD1-CD2 4.48Å; L59-F175 HydrophobicContact CD1-CE1 4.09Å; L59-F175 HydrophobicContact CD1-CE2 4.39Å; L59-F175 HydrophobicContact CD1-CG 4.39Å; L59-F175 HydrophobicContact CD1-CZ 4.2Å; I135-F175 HydrophobicContact CG2-CB 4.13Å; I135-F175 HydrophobicContact CG2-CD1 3.75Å; I135-F175 HydrophobicContact CG2-CG 4.25Å; V136-F175 WeakPolarHBondContact O-CA 3.44Å; L137-F175 HydrophobicContact CB-CD1 4.08Å; L137-F175 HydrophobicContact CB-CE1 3.77Å; L137-F175 HydrophobicContact CD1-CD1 4.11Å; L137-F175 HydrophobicContact CD1-CD2 4.45Å; L137-F175 HydrophobicContact CD1-CE1 3.9Å; L137-F175 HydrophobicContact CD1-CE2 4.25Å; L137-F175 HydrophobicContact CD1-CG 4.4Å; L137-F175 HydrophobicContact CD1-CZ 3.97Å; L137-F175 HydrophobicContact CG-CE1 4.28Å; F175-P193 WeakPolarHBondContact O-CD 3.28Å; F175-P193 VanDerWaalsContact O-CG 3.3Å; F175-P193 WeakPolarHBondContact O-CG 3.38Å
176V98.6Very high87.5Confident0 Ų051.3 Ų51.30%026%0.259CS..EExtended strand (participates in β ladder)trans-130158171.2-61.90000110.3I135 V136 V138 L143 Y190 N192I135-V176 WeakPolarHBondContact CA-O 3.45Å; V136-V176 HydrophobicContact CB-CG2 4.3Å; V136-V176 PolarHBondContact N-O 3.34Å; V136-V176 PolarHBondContact O-N 3.4Å; V138-V176 HydrophobicContact CG1-CG2 4.13Å; V138-V176 HydrophobicContact CG2-CG1 4.21Å; V138-V176 HydrophobicContact CG2-CG2 4.41Å; L143-V176 HydrophobicContact CD2-CG1 4.3Å; V176-Y190 HydrophobicContact CB-CD2 3.93Å; V176-Y190 HydrophobicContact CG1-CD2 3.89Å; V176-Y190 HydrophobicContact CG1-CE2 4.23Å; V176-Y190 HydrophobicContact CG2-CD2 4.34Å; V176-N192 HydrophobicContact CG1-CB 4.44Å
177V98.8Very high89.4Confident0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-101.5116171.2179.50000109.1V10 C25 M28 V29 V133 A134 I135 C179 Y190 N191V10-V177 HydrophobicContact CG1-CG1 4.26Å; C25-V177 HydrophobicContact CB-CG2 3.67Å; M28-V177 HydrophobicContact CB-CG2 4.2Å; M28-V177 HydrophobicContact CE-CG2 3.93Å; V29-V177 HydrophobicContact CG1-CB 4.45Å; V29-V177 HydrophobicContact CG1-CG1 3.71Å; V29-V177 HydrophobicContact CG1-CG2 3.83Å; V133-V177 HydrophobicContact CB-CG1 4.27Å; A134-V177 CarbonylContact O-C 3.5Å; A134-V177 WeakPolarHBondContact O-CA 3.48Å; I135-V177 HydrophobicContact CG1-CG2 4.29Å; V177-C179 PolarHBondContact O-N 3.34Å; V177-Y190 CarbonylContact O-C 2.87Å; V177-Y190 WeakPolarHBondContact O-CA 3.49Å; V177-Y190 VanDerWaalsContact O-CB 3.29Å; V177-Y190 WeakPolarHBondContact O-CB 3.36Å; V177-N191 HydrophobicContact CB-CB 4.3Å; V177-N191 PolarHBondContact N-O 3.37Å; V177-N191 PolarHBondContact O-N 3.29Å
178V98.8Very high91.4Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-77.4121.8169.7177.90000108.5I124 I128 A134 V136 I188 F207I124-V178 HydrophobicContact CG2-CG1 4.12Å; I128-V178 HydrophobicContact CD1-CG1 4.15Å; I128-V178 VanDerWaalsContact CD1-O 3.31Å; I128-V178 WeakPolarHBondContact CD1-O 3.28Å; I128-V178 HydrophobicContact CG1-CG1 4.07Å; A134-V178 PolarHBondContact N-O 3.29Å; A134-V178 PolarHBondContact O-N 3.48Å; V136-V178 HydrophobicContact CB-CG2 4.36Å; V136-V178 HydrophobicContact CG2-CB 4.41Å; V136-V178 HydrophobicContact CG2-CG2 3.59Å; V178-I188 HydrophobicContact CG1-CG2 3.91Å; V178-I188 HydrophobicContact CG2-CG2 4.3Å; V178-F207 HydrophobicContact CG2-CE2 3.74Å; V178-F207 HydrophobicContact CG2-CZ 3.67Å
179C98.2Very high93.4Very high0 Ų030.4 Ų30.40%017%0.169CC..EExtended strand (participates in β ladder)trans-131.21.4-172.460.20000113.4L8 V10 V177 F189L8-C179 WeakPolarHBondContact CB-O 3.42Å; L8-C179 WeakPolarHBondContact CG-O 3.38Å; L8-C179 PolarHBondContact N-O 3.16Å; V10-C179 HydrophobicContact CB-CB 4.12Å; V10-C179 HydrophobicContact CG2-CB 3.58Å; V177-C179 PolarHBondContact O-N 3.34Å; C179-F189 PolarHBondContact N-O 3.08Å
180G98.2Very high95Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-172.9171178.400000113.9V6 F189V6-G180 CarbonylContact O-C 3.5Å; V6-G180 WeakPolarHBondContact O-CA 3.23Å; G180-F189 PolarHBondContact N-O 2.98Å; G180-F189 PolarHBondContact O-N 3.46Å
181F98.3Very high96Very high1 Ų121.8 Ų21.80%0.00412%0.124CC..EExtended strand (participates in β ladder)trans-151.7163.2172.764-94.5000110.9A5 V6 Q125 I128 Y129 R183 C187 I188A5-F181 WeakPolarHBondContact CA-O 3.5Å; V6-F181 HydrophobicContact CB-CD1 4.17Å; V6-F181 HydrophobicContact CB-CE1 3.78Å; V6-F181 HydrophobicContact CB-CZ 4.02Å; V6-F181 HydrophobicContact CG2-CE1 3.8Å; V6-F181 HydrophobicContact CG2-CE2 4.26Å; V6-F181 HydrophobicContact CG2-CZ 3.59Å; V6-F181 PolarHBondContact N-O 2.99Å; V6-F181 PolarHBondContact O-N 2.73Å; V6-F181 VanDerWaalsContact O-O 3.09Å; Q125-F181 HydrophobicContact CB-CD1 4.06Å; Q125-F181 HydrophobicContact CB-CE1 4.05Å; Q125-F181 HydrophobicContact CB-CG 4.36Å; Q125-F181 HydrophobicContact CB-CZ 4.33Å; Q125-F181 HydrophobicContact CG-CB 4.15Å; Q125-F181 HydrophobicContact CG-CD1 3.95Å; Q125-F181 HydrophobicContact CG-CD2 4.2Å; Q125-F181 HydrophobicContact CG-CE1 4.41Å; Q125-F181 HydrophobicContact CG-CG 3.83Å; Q125-F181 WeakPolarHBondContact O-CE1 3.23Å; I128-F181 HydrophobicContact CB-CD1 4.11Å; I128-F181 HydrophobicContact CB-CE1 4.19Å; I128-F181 HydrophobicContact CG2-CD1 4.03Å; I128-F181 HydrophobicContact CG2-CE1 4.23Å; Y129-F181 HydrophobicContact CD2-CZ 4.26Å; F181-R183 HydrophobicContact CD2-CG 3.84Å; F181-R183 HydrophobicContact CE2-CG 3.76Å; F181-C187 CarbonylContact C-O 3.59Å; F181-C187 VanDerWaalsContact CA-O 3.25Å; F181-C187 WeakPolarHBondContact CA-O 2.88Å; F181-I188 HydrophobicContact CB-CD1 3.88Å
182N97.3Very high96.5Very high32 Ų3221.4 Ų21.417%0.17112%0.123CC..EExtended strand (participates in β ladder)trans-135112.1165.2-176.8-32.4000109D4 A5 S184 T185 G186 C187 F189D4-N182 CarbonylContact O-C 3.53Å; D4-N182 WeakPolarHBondContact O-CA 3.44Å; A5-N182 HydrophobicContact CB-CB 4.33Å; N182-S184 WeakPolarHBondContact OD1-CA 3.25Å; N182-S184 WeakPolarHBondContact OD1-CB 3.42Å; N182-S184 PolarHBondContact OD1-N 2.87Å; N182-T185 VanDerWaalsContact CB-OG1 3.3Å; N182-T185 WeakPolarHBondContact CB-OG1 3.43Å; N182-T185 VanDerWaalsContact CG-OG1 3.22Å; N182-T185 PolarHBondContact OD1-N 2.96Å; N182-T185 PolarHBondContact OD1-OG1 2.82Å; N182-G186 WeakPolarHBondContact O-CA 3.47Å; N182-G186 PolarHBondContact O-N 3.34Å; N182-C187 PolarHBondContact N-O 3.07Å; N182-C187 PolarHBondContact O-N 2.72Å; N182-F189 HydrophobicContact CB-CE2 4.07Å; N182-F189 HydrophobicContact CB-CZ 4.38Å
183R95Very high96.9Very high101 Ų10120.2 Ų20.238%0.38112%0.117SC..THydrogen-bonded Turntrans-68-37.1-179.3-68.3176.7-180160.9-0.1111.9D4 F181 G186D4-R183 HydrophobicContact CB-CB 4.34Å; D4-R183 PolarHBondContact O-N 3.12Å; F181-R183 HydrophobicContact CD2-CG 3.84Å; F181-R183 HydrophobicContact CE2-CG 3.76Å; R183-G186 PolarHBondContact O-N 2.56Å
184S94.7Very high96.8Very high87 Ų8720.7 Ų20.761%0.60812%0.119SC*.THydrogen-bonded Turntrans-67.4-38.2-179.2-46.40000112.3D4 N182D4-S184 WeakPolarHBondContact CB-OG 3.47Å; N182-S184 WeakPolarHBondContact OD1-CA 3.25Å; N182-S184 WeakPolarHBondContact OD1-CB 3.42Å; N182-S184 PolarHBondContact OD1-N 2.87Å
185T94.5Very high96.4Very high89 Ų8922.5 Ų22.555%0.54613%0.126SC..THydrogen-bonded Turntrans-92.7-10.6177660000113.1N182 C187N182-T185 VanDerWaalsContact CB-OG1 3.3Å; N182-T185 WeakPolarHBondContact CB-OG1 3.43Å; N182-T185 VanDerWaalsContact CG-OG1 3.22Å; N182-T185 PolarHBondContact OD1-N 2.96Å; N182-T185 PolarHBondContact OD1-OG1 2.82Å; T185-C187 PolarHBondContact O-SG 3.13Å; T185-C187 PolarHBondContact OG1-SG 3.32Å
186G96.1Very high95.7Very high23 Ų2325.2 Ų25.224%0.23715%0.147CC..THydrogen-bonded Turntrans67.538.4-177.100000113.1N182 R183 S203 I204N182-G186 WeakPolarHBondContact O-CA 3.47Å; N182-G186 PolarHBondContact O-N 3.34Å; R183-G186 PolarHBondContact O-N 2.56Å; G186-S203 CarbonylContact O-C 3.4Å; G186-S203 WeakPolarHBondContact O-CA 3.5Å; G186-I204 WeakPolarHBondContact O-CG1 3.21Å; G186-I204 PolarHBondContact O-N 3.19Å
187C96.7Very high95.1Very high11 Ų1130.3 Ų30.37%0.07417%0.174CC..EExtended strand (participates in β ladder)trans-115.4154.4-173.8-60.60000113.3F181 N182 T185 C201 T202F181-C187 CarbonylContact C-O 3.59Å; F181-C187 VanDerWaalsContact CA-O 3.25Å; F181-C187 WeakPolarHBondContact CA-O 2.88Å; N182-C187 PolarHBondContact N-O 3.07Å; N182-C187 PolarHBondContact O-N 2.72Å; T185-C187 PolarHBondContact O-SG 3.13Å; T185-C187 PolarHBondContact OG1-SG 3.32Å; C187-C201 VanDerWaalsContact CB-SG 3.56Å; C187-T202 CarbonylContact C-O 3.51Å; C187-T202 VanDerWaalsContact CA-O 3.23Å; C187-T202 WeakPolarHBondContact CA-O 3.27Å
188I98.3Very high94.6Very high1 Ų135 Ų351%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-116.1132.2170.7-67.1-68.2000109.2I121 V178 F181 C201 T202 I204 F207I121-I188 HydrophobicContact CD1-CD1 3.81Å; I121-I188 HydrophobicContact CD1-CG1 4.12Å; V178-I188 HydrophobicContact CG1-CG2 3.91Å; V178-I188 HydrophobicContact CG2-CG2 4.3Å; F181-I188 HydrophobicContact CB-CD1 3.88Å; I188-C201 WeakPolarHBondContact O-CA 3.15Å; I188-T202 HydrophobicContact CB-CG2 4.4Å; I188-T202 PolarHBondContact N-O 3.27Å; I188-T202 PolarHBondContact O-N 3.06Å; I188-I204 HydrophobicContact CD1-CG1 4.42Å; I188-I204 HydrophobicContact CG1-CG1 3.96Å; I188-F207 HydrophobicContact CB-CG 4.41Å; I188-F207 HydrophobicContact CG1-CB 4.41Å; I188-F207 HydrophobicContact CG1-CD1 4.08Å; I188-F207 HydrophobicContact CG1-CG 4.24Å; I188-F207 HydrophobicContact CG2-CD2 4.27Å; I188-F207 HydrophobicContact CG2-CE2 4.46Å; I188-F207 HydrophobicContact CG2-CG 4.34Å
189F98.3Very high94.4Very high39 Ų3937.3 Ų37.317%0.17121%0.206CC..EExtended strand (participates in β ladder)trans-98.7135172.3-58.5-69.1000110.3L7 C179 G180 N182 V199 C200 C201L7-F189 HydrophobicContact CD1-CB 3.76Å; L7-F189 HydrophobicContact CD1-CD2 4.25Å; L7-F189 HydrophobicContact CD1-CG 4.05Å; C179-F189 PolarHBondContact N-O 3.08Å; G180-F189 PolarHBondContact N-O 2.98Å; G180-F189 PolarHBondContact O-N 3.46Å; N182-F189 HydrophobicContact CB-CE2 4.07Å; N182-F189 HydrophobicContact CB-CZ 4.38Å; F189-V199 HydrophobicContact CB-CG1 3.95Å; F189-C200 WeakPolarHBondContact CA-O 3.26Å; F189-C201 HydrophobicContact CD1-CB 3.83Å; F189-C201 HydrophobicContact CE1-CB 3.93Å
190Y98.5Very high94.3Very high4 Ų437.3 Ų37.32%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-146.2145.2-178.662.6-82.8000112.4L143 C145 V176 V177 N192 C200 T202L143-Y190 HydrophobicContact CD2-CD2 4.47Å; L143-Y190 HydrophobicContact CD2-CE2 3.74Å; C145-Y190 WeakPolarHBondContact CB-OH 3.19Å; V176-Y190 HydrophobicContact CB-CD2 3.93Å; V176-Y190 HydrophobicContact CG1-CD2 3.89Å; V176-Y190 HydrophobicContact CG1-CE2 4.23Å; V176-Y190 HydrophobicContact CG2-CD2 4.34Å; V177-Y190 CarbonylContact O-C 2.87Å; V177-Y190 WeakPolarHBondContact O-CA 3.49Å; V177-Y190 VanDerWaalsContact O-CB 3.29Å; V177-Y190 WeakPolarHBondContact O-CB 3.36Å; Y190-N192 HydrophobicContact CD2-CB 4.09Å; Y190-N192 HydrophobicContact CE2-CB 3.92Å; Y190-C200 HydrophobicContact CD1-CB 4.1Å; Y190-C200 HydrophobicContact CD2-CB 3.79Å; Y190-C200 HydrophobicContact CE1-CB 3.68Å; Y190-C200 HydrophobicContact CE2-CB 3.35Å; Y190-C200 HydrophobicContact CG-CB 4.15Å; Y190-C200 PolarHBondContact N-O 3.22Å; Y190-C200 WeakPolarHBondContact O-CA 3.46Å; Y190-C200 WeakPolarHBondContact O-CB 3.49Å; Y190-C200 PolarHBondContact O-N 3.37Å; Y190-T202 HydrophobicContact CD1-CG2 4.27Å; Y190-T202 HydrophobicContact CE1-CG2 3.74Å
191N97.8Very high94.2Very high1 Ų137.7 Ų37.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-85.3120.3166.6-67.7-5.3000108.6V10 P11 V12 M28 V177 V199V10-N191 PolarHBondContact O-ND2 3.33Å; P11-N191 PolarHBondContact O-ND2 2.96Å; V12-N191 HydrophobicContact CG2-CB 4.49Å; M28-N191 HydrophobicContact CE-CB 4.21Å; M28-N191 HydrophobicContact SD-CB 3.64Å; V177-N191 HydrophobicContact CB-CB 4.3Å; V177-N191 PolarHBondContact N-O 3.37Å; V177-N191 PolarHBondContact O-N 3.29Å; N191-V199 WeakPolarHBondContact OD1-CG2 3.26Å
192N95.8Very high94.1Very high6 Ų637.7 Ų37.73%0.03221%0.208CC..  trans-98.8116.7174178.1-8.9000109Y154 H174 V176 Y190 A194 Y195Y154-N192 PolarHBondContact OH-ND2 2.93Å; H174-N192 PolarHBondContact NE2-OD1 3.3Å; V176-N192 HydrophobicContact CG1-CB 4.44Å; Y190-N192 HydrophobicContact CD2-CB 4.09Å; Y190-N192 HydrophobicContact CE2-CB 3.92Å; N192-A194 PolarHBondContact O-N 2.76Å; N192-A194 VanDerWaalsContact OD1-CB 3.23Å; N192-A194 WeakPolarHBondContact OD1-CB 3.38Å; N192-A194 PolarHBondContact OD1-N 2.85Å; N192-Y195 HydrophobicContact CB-CD2 3.97Å; N192-Y195 HydrophobicContact CB-CE2 4.42Å; N192-Y195 PolarHBondContact O-N 3.17Å
193P95Very high94.1Very high0 Ų037.4 Ų37.40%021%0.209CC..THydrogen-bonded Turntrans-65.8-6.5-177.829.5-36.9000113.8R14 Q15 C21 A24 M28 F175 Y195R14-P193 CarbonylContact C-O 3.52Å; R14-P193 VanDerWaalsContact CA-O 3.25Å; R14-P193 WeakPolarHBondContact CA-O 3.5Å; R14-P193 WeakPolarHBondContact CG-O 3.36Å; Q15-P193 HydrophobicContact CB-CB 4.18Å; Q15-P193 PolarHBondContact N-O 3.47Å; C21-P193 HydrophobicContact CB-CG 3.83Å; A24-P193 HydrophobicContact CB-CB 3.76Å; M28-P193 HydrophobicContact CE-CB 3.91Å; M28-P193 HydrophobicContact CE-CG 4.46Å; F175-P193 WeakPolarHBondContact O-CD 3.28Å; F175-P193 VanDerWaalsContact O-CG 3.3Å; F175-P193 WeakPolarHBondContact O-CG 3.38Å; P193-Y195 PolarHBondContact O-N 2.86Å
194A89.9Confident94.3Very high21 Ų2134.5 Ų34.517%0.17420%0.2CC..THydrogen-bonded Turntrans-68-18.7168.900000113.3V152 N192V152-A194 HydrophobicContact CG1-CB 4.46Å; V152-A194 HydrophobicContact CG2-CB 4.31Å; N192-A194 PolarHBondContact O-N 2.76Å; N192-A194 VanDerWaalsContact OD1-CB 3.23Å; N192-A194 WeakPolarHBondContact OD1-CB 3.38Å; N192-A194 PolarHBondContact OD1-N 2.85Å
195Y86.7Confident94.4Very high45 Ų4534.5 Ų34.518%0.17620%0.201CC..  trans-116.6158.3179.1-54.3-67.8000111V12 V152 N192 P193 R198V12-Y195 WeakPolarHBondContact CG1-O 3.41Å; V152-Y195 HydrophobicContact CG2-CE1 4.21Å; V152-Y195 HydrophobicContact CG2-CE2 3.75Å; V152-Y195 WeakPolarHBondContact CG2-OH 3.2Å; N192-Y195 HydrophobicContact CB-CD2 3.97Å; N192-Y195 HydrophobicContact CB-CE2 4.42Å; N192-Y195 PolarHBondContact O-N 3.17Å; P193-Y195 PolarHBondContact O-N 2.86Å; Y195-R198 HydrophobicContact CD2-CG 4.41Å; Y195-R198 HydrophobicContact CG-CG 4.25Å
196S84.7Confident94.6Very high69 Ų6931.2 Ų31.248%0.48318%0.18SC..SBendtrans-115-6.7-178.656.80000114.7
197D85.1Confident94.7Very high106 Ų10630.1 Ų30.157%0.56717%0.169SC*.SBendtrans-136.15.1-158.666.6-25.7000114.2
198R88.4Confident94.8Very high99 Ų9931.4 Ų31.437%0.37417%0.173SC..  trans-151.8153.8-171.968.8-165.968.8-155-5.5113.8Y195Y195-R198 HydrophobicContact CD2-CG 4.41Å; Y195-R198 HydrophobicContact CG-CG 4.25Å
199V94.8Very high94.7Very high48 Ų4837.2 Ų37.229%0.29120%0.2SC..  trans-91.5134.8161.3-177.60000107.9L7 F189 N191L7-V199 HydrophobicContact CD1-CG1 4.1Å; F189-V199 HydrophobicContact CB-CG1 3.95Å; N191-V199 WeakPolarHBondContact OD1-CG2 3.26Å
200C95.7Very high94.7Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-92.1159.6174.5-66.90000111C145 F189 Y190C145-C200 HydrophobicContact CB-CB 4.43Å; C145-C200 VanDerWaalsContact SG-CB 3.56Å; F189-C200 WeakPolarHBondContact CA-O 3.26Å; Y190-C200 HydrophobicContact CD1-CB 4.1Å; Y190-C200 HydrophobicContact CD2-CB 3.79Å; Y190-C200 HydrophobicContact CE1-CB 3.68Å; Y190-C200 HydrophobicContact CE2-CB 3.35Å; Y190-C200 HydrophobicContact CG-CB 4.15Å; Y190-C200 PolarHBondContact N-O 3.22Å; Y190-C200 WeakPolarHBondContact O-CA 3.46Å; Y190-C200 WeakPolarHBondContact O-CB 3.49Å; Y190-C200 PolarHBondContact O-N 3.37Å
201C96.3Very high94.7Very high8 Ų835.3 Ų35.35%0.05419%0.192CC..EExtended strand (participates in β ladder)trans-138.1142.4178.4-176.70000109.4C145 E146 L147 C187 I188 F189C145-C201 CarbonylContact C-O 3.49Å; C145-C201 VanDerWaalsContact CA-O 3.26Å; C145-C201 WeakPolarHBondContact CA-O 3.4Å; C145-C201 PolarHBondContact SG-O 2.63Å; C145-C201 VanDerWaalsContact SG-O 3.41Å; E146-C201 PolarHBondContact N-O 3.11Å; L147-C201 HydrophobicContact CD1-CB 3.49Å; L147-C201 VanDerWaalsContact CD1-CB 3.49Å; L147-C201 HydrophobicContact CG-CB 3.76Å; C187-C201 VanDerWaalsContact CB-SG 3.56Å; I188-C201 WeakPolarHBondContact O-CA 3.15Å; F189-C201 HydrophobicContact CD1-CB 3.83Å; F189-C201 HydrophobicContact CE1-CB 3.93Å
202T96.8Very high94.6Very high1 Ų139.3 Ų39.31%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-146.4162.2174.3-169.60000109.9L143 V144 C187 I188 Y190 N206 F207L143-T202 HydrophobicContact CD1-CG2 3.98Å; V144-T202 WeakPolarHBondContact O-CB 3.42Å; V144-T202 PolarHBondContact O-OG1 3.18Å; C187-T202 CarbonylContact C-O 3.51Å; C187-T202 VanDerWaalsContact CA-O 3.23Å; C187-T202 WeakPolarHBondContact CA-O 3.27Å; I188-T202 HydrophobicContact CB-CG2 4.4Å; I188-T202 PolarHBondContact N-O 3.27Å; I188-T202 PolarHBondContact O-N 3.06Å; Y190-T202 HydrophobicContact CD1-CG2 4.27Å; Y190-T202 HydrophobicContact CE1-CG2 3.74Å; T202-N206 PolarHBondContact OG1-OD1 3Å; T202-F207 HydrophobicContact CG2-CB 3.8Å
203S97.8Very high94.6Very high27 Ų2740 Ų4019%0.18922%0.217CC..EExtended strand (participates in β ladder)trans-69.1151.5171.666.90000111.3G186 S205 N206 F207G186-S203 CarbonylContact O-C 3.4Å; G186-S203 WeakPolarHBondContact O-CA 3.5Å; S203-S205 PolarHBondContact O-N 2.95Å; S203-S205 PolarHBondContact OG-OG 3.09Å; S203-N206 PolarHBondContact O-N 2.66Å; S203-N206 WeakPolarHBondContact OG-CB 3.17Å; S203-N206 PolarHBondContact OG-N 3.21Å; S203-F207 WeakPolarHBondContact O-CB 3.06Å; S203-F207 PolarHBondContact O-N 3.02Å
204I98.1Very high94.5Very high39 Ų3946 Ų4620%0.224%0.241CC..Hα-helixtrans-55.9-40.8175.1-74.9167000110.8I121 G186 I188 N206 F207 E208I121-I204 HydrophobicContact CB-CG2 4.33Å; I121-I204 HydrophobicContact CD1-CG1 4.39Å; I121-I204 HydrophobicContact CD1-CG2 4.2Å; I121-I204 HydrophobicContact CG1-CD1 4.25Å; I121-I204 HydrophobicContact CG1-CG1 4.13Å; I121-I204 HydrophobicContact CG1-CG2 3.76Å; I121-I204 HydrophobicContact CG2-CG2 4.38Å; G186-I204 WeakPolarHBondContact O-CG1 3.21Å; G186-I204 PolarHBondContact O-N 3.19Å; I188-I204 HydrophobicContact CD1-CG1 4.42Å; I188-I204 HydrophobicContact CG1-CG1 3.96Å; I204-N206 PolarHBondContact O-N 3.01Å; I204-F207 PolarHBondContact O-N 2.9Å; I204-E208 HydrophobicContact CG2-CG 4.22Å; I204-E208 WeakPolarHBondContact O-CB 3.32Å; I204-E208 VanDerWaalsContact O-CG 3.29Å; I204-E208 WeakPolarHBondContact O-CG 3.2Å; I204-E208 PolarHBondContact O-N 3.42Å
205S98.1Very high94.5Very high88 Ų8845 Ų4562%0.61523%0.233SC*.Hα-helixtrans-63-44.4-179.553.30000112.3S203 E209S203-S205 PolarHBondContact O-N 2.95Å; S203-S205 PolarHBondContact OG-OG 3.09Å; S205-E209 WeakPolarHBondContact O-CB 3.08Å; S205-E209 PolarHBondContact O-N 3.32Å
206N97.4Very high94.9Very high20 Ų2043 Ų4311%0.10723%0.225CC..Hα-helixtrans-71.4-34.4178.1-178.5-111.4000112.3V142 V144 T202 S203 I204 A210V142-N206 PolarHBondContact O-ND2 3Å; V144-N206 PolarHBondContact N-OD1 3.49Å; V144-N206 PolarHBondContact O-OD1 3.08Å; T202-N206 PolarHBondContact OG1-OD1 3Å; S203-N206 PolarHBondContact O-N 2.66Å; S203-N206 WeakPolarHBondContact OG-CB 3.17Å; S203-N206 PolarHBondContact OG-N 3.21Å; I204-N206 PolarHBondContact O-N 3.01Å; N206-A210 VanDerWaalsContact O-CB 3.29Å; N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 2.9Å
207F98.4Very high95.4Very high0 Ų040.7 Ų40.70%021%0.207CC..Hα-helixtrans-61.5-48.3172.4176.5-109.1000112.2I121 I124 V136 V138 V178 I188 T202 S203 I204 A210 R211I121-F207 HydrophobicContact CD1-CD1 3.88Å; I121-F207 HydrophobicContact CD1-CE1 4.02Å; I124-F207 HydrophobicContact CD1-CE1 3.88Å; I124-F207 HydrophobicContact CD1-CZ 4.39Å; V136-F207 HydrophobicContact CB-CZ 4.47Å; V136-F207 HydrophobicContact CG1-CE2 4.16Å; V136-F207 HydrophobicContact CG1-CZ 4.01Å; V136-F207 HydrophobicContact CG2-CZ 4.2Å; V138-F207 HydrophobicContact CG1-CE2 4.49Å; V178-F207 HydrophobicContact CG2-CE2 3.74Å; V178-F207 HydrophobicContact CG2-CZ 3.67Å; I188-F207 HydrophobicContact CB-CG 4.41Å; I188-F207 HydrophobicContact CG1-CB 4.41Å; I188-F207 HydrophobicContact CG1-CD1 4.08Å; I188-F207 HydrophobicContact CG1-CG 4.24Å; I188-F207 HydrophobicContact CG2-CD2 4.27Å; I188-F207 HydrophobicContact CG2-CE2 4.46Å; I188-F207 HydrophobicContact CG2-CG 4.34Å; T202-F207 HydrophobicContact CG2-CB 3.8Å; S203-F207 WeakPolarHBondContact O-CB 3.06Å; S203-F207 PolarHBondContact O-N 3.02Å; I204-F207 PolarHBondContact O-N 2.9Å; F207-A210 PolarHBondContact O-N 3.43Å; F207-R211 WeakPolarHBondContact O-CG 3.32Å; F207-R211 PolarHBondContact O-N 3.24Å
208E98.4Very high96Very high38 Ų3837 Ų3718%0.17819%0.187CC..Hα-helixtrans-60.6-47.3176.2-71.8-71.212600111.1I204 A210 R211 M212I204-E208 HydrophobicContact CG2-CG 4.22Å; I204-E208 WeakPolarHBondContact O-CB 3.32Å; I204-E208 VanDerWaalsContact O-CG 3.29Å; I204-E208 WeakPolarHBondContact O-CG 3.2Å; I204-E208 PolarHBondContact O-N 3.42Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 3.04Å; E208-R211 VanDerWaalsContact CD-NE 3.34Å; E208-R211 PolarHBondContact O-N 3.35Å; E208-R211 IonicContact OE1-CZ 2.88Å; E208-R211 IonicContact OE1-NE 3.33Å; E208-R211 PolarHBondContact OE1-NE 3.24Å; E208-R211 IonicContact OE1-NH2 2.68Å; E208-R211 PolarHBondContact OE1-NH2 3.06Å; E208-R211 IonicContact OE2-CZ 3.96Å; E208-R211 IonicContact OE2-NE 3.49Å; E208-R211 IonicContact OE2-NH2 3.64Å; E208-R211 PolarHBondContact OE2-NH2 2.91Å; E208-M212 HydrophobicContact CB-SD 4.48Å; E208-M212 VanDerWaalsContact O-CB 3.23Å; E208-M212 WeakPolarHBondContact O-CB 3.39Å; E208-M212 VanDerWaalsContact O-CG 3.26Å; E208-M212 WeakPolarHBondContact O-CG 3.22Å; E208-M212 PolarHBondContact O-N 3.44Å
209E97.6Very high96.5Very high122 Ų12232.7 Ų32.757%0.5717%0.171SC*.Hα-helixtrans-56.7-43.4176.2-166.5-168.1168.500111.8V142 S205 S213V142-E209 HydrophobicContact CG1-CB 3.97Å; V142-E209 HydrophobicContact CG1-CG 3.65Å; S205-E209 WeakPolarHBondContact O-CB 3.08Å; S205-E209 PolarHBondContact O-N 3.32Å; E209-S213 PolarHBondContact O-N 2.81Å; E209-S213 PolarHBondContact O-OG 3.42Å
210A97.1Very high96.7Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-71.5-44.3-178.900000112.9V138 N139 V142 L143 N206 F207 E208 S213V138-A210 HydrophobicContact CB-CB 4.25Å; N139-A210 PolarHBondContact N-O 2.82Å; V142-A210 HydrophobicContact CB-CB 4.08Å; V142-A210 HydrophobicContact CG1-CB 3.92Å; L143-A210 HydrophobicContact CB-CB 3.82Å; L143-A210 HydrophobicContact CD1-CB 3.96Å; L143-A210 HydrophobicContact CG-CB 4.49Å; N206-A210 VanDerWaalsContact O-CB 3.29Å; N206-A210 WeakPolarHBondContact O-CB 3.38Å; N206-A210 PolarHBondContact O-N 2.9Å; F207-A210 PolarHBondContact O-N 3.43Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 3.04Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å
211R98.1Very high96.8Very high3 Ų330.4 Ų30.41%0.01116%0.157CC..Hα-helixtrans-77.3-24.4-177.981.1178.5-171.8717.9113.1V119 V136 V138 F207 E208 T216 E218V119-R211 PolarHBondContact O-NH2 3.07Å; V136-R211 HydrophobicContact CG1-CB 3.87Å; V138-R211 HydrophobicContact CG1-CB 4.11Å; F207-R211 WeakPolarHBondContact O-CG 3.32Å; F207-R211 PolarHBondContact O-N 3.24Å; E208-R211 VanDerWaalsContact CD-NE 3.34Å; E208-R211 PolarHBondContact O-N 3.35Å; E208-R211 IonicContact OE1-CZ 2.88Å; E208-R211 IonicContact OE1-NE 3.33Å; E208-R211 PolarHBondContact OE1-NE 3.24Å; E208-R211 IonicContact OE1-NH2 2.68Å; E208-R211 PolarHBondContact OE1-NH2 3.06Å; E208-R211 IonicContact OE2-CZ 3.96Å; E208-R211 IonicContact OE2-NE 3.49Å; E208-R211 IonicContact OE2-NH2 3.64Å; E208-R211 PolarHBondContact OE2-NH2 2.91Å; R211-T216 WeakPolarHBondContact O-CB 3.3Å; R211-T216 PolarHBondContact O-OG1 3.02Å; R211-E218 WeakPolarHBondContact O-CA 3.07Å
212M97.4Very high97Very high86 Ų8630 Ų3042%0.42416%0.155SC..THydrogen-bonded Turntrans-97.45.8177.8-5717874.900113E208 E218E208-M212 HydrophobicContact CB-SD 4.48Å; E208-M212 VanDerWaalsContact O-CB 3.23Å; E208-M212 WeakPolarHBondContact O-CB 3.39Å; E208-M212 VanDerWaalsContact O-CG 3.26Å; E208-M212 WeakPolarHBondContact O-CG 3.22Å; E208-M212 PolarHBondContact O-N 3.44Å; M212-E218 HydrophobicContact CB-CG 4.24Å; M212-E218 VanDerWaalsContact CE-OE1 3.23Å; M212-E218 WeakPolarHBondContact CE-OE1 3.3Å; M212-E218 HydrophobicContact CG-CG 4.05Å
213S95.2Very high97Very high20 Ų2030 Ų3014%0.1416%0.155CC..SBendtrans-60140.6175.3-79.10000111.7N139 E209 A210 G215 T216N139-S213 VanDerWaalsContact CB-CB 3.49Å; E209-S213 PolarHBondContact O-N 2.81Å; E209-S213 PolarHBondContact O-OG 3.42Å; A210-S213 WeakPolarHBondContact O-CB 3.27Å; S213-G215 PolarHBondContact O-N 3.04Å; S213-T216 PolarHBondContact O-N 3.44Å; S213-T216 VanDerWaalsContact O-N 3.09Å; S213-T216 PolarHBondContact O-OG1 3.31Å
214Y91.8Very high97Very high126 Ų12630.6 Ų30.649%0.49415%0.154SC..THydrogen-bonded Turntrans-54127.8173.3-176.7-112.5000111.1D80 G82 F83 Q86 Y171D80-Y214 WeakPolarHBondContact OD2-CE2 3.35Å; D80-Y214 PolarHBondContact OD2-OH 2.9Å; G82-Y214 VanDerWaalsContact C-OH 3.24Å; G82-Y214 WeakPolarHBondContact CA-OH 3.32Å; F83-Y214 HydrophobicContact CD1-CE1 4.36Å; F83-Y214 HydrophobicContact CD1-CE2 4.31Å; F83-Y214 AromaticContact CD1-CZ 3.85Å; F83-Y214 HydrophobicContact CE1-CD2 4.47Å; F83-Y214 AromaticContact CE1-CE2 3.88Å; F83-Y214 HydrophobicContact CE1-CE2 3.88Å; F83-Y214 AromaticContact CE1-CZ 3.9Å; Q86-Y214 HydrophobicContact CG-CE1 4.38Å; Y171-Y214 VanDerWaalsContact CD2-O 3.26Å; Y171-Y214 WeakPolarHBondContact CD2-O 3.44Å
215G90.7Very high96.8Very high1 Ų133.3 Ų33.31%0.0116%0.164CC..THydrogen-bonded Turntrans109.1-17-17300000114.7F83 Y89 Y171 S213F83-G215 VanDerWaalsContact CE1-CA 3.49Å; Y89-G215 PolarHBondContact OH-O 3.31Å; Y171-G215 VanDerWaalsContact CZ-C 3.43Å; Y171-G215 VanDerWaalsContact CZ-O 3.22Å; Y171-G215 PolarHBondContact OH-O 2.05Å; S213-G215 PolarHBondContact O-N 3.04Å
216T94.9Very high96Very high1 Ų134.2 Ų34.21%0.00616%0.159CC..SBendtrans-93.5-16.2178.363.50000114.4L137 N139 Y171 R211 S213 E218 D219L137-T216 HydrophobicContact CG-CG2 4.39Å; N139-T216 HydrophobicContact CB-CG2 4.47Å; Y171-T216 HydrophobicContact CE2-CG2 3.76Å; R211-T216 WeakPolarHBondContact O-CB 3.3Å; R211-T216 PolarHBondContact O-OG1 3.02Å; S213-T216 PolarHBondContact O-N 3.44Å; S213-T216 VanDerWaalsContact O-N 3.09Å; S213-T216 PolarHBondContact O-OG1 3.31Å; T216-E218 PolarHBondContact O-N 3.35Å; T216-E218 PolarHBondContact OG1-N 3.39Å; T216-D219 VanDerWaalsContact O-CB 3.25Å; T216-D219 WeakPolarHBondContact O-CB 3.08Å; T216-D219 PolarHBondContact O-N 2.03Å
217D95.4Very high94.2Very high21 Ų2141.5 Ų41.511%0.11221%0.211CC..THydrogen-bonded Turntrans52.419.8-169.2-66.4-48.7000115T74 Q75 T76 F83 D219T74-D217 CarbonylContact C-O 3.58Å; T74-D217 WeakPolarHBondContact OG1-CB 3.48Å; Q75-D217 WeakPolarHBondContact CB-O 3.23Å; Q75-D217 PolarHBondContact N-O 3.34Å; T76-D217 WeakPolarHBondContact CB-OD1 3.39Å; T76-D217 PolarHBondContact OG1-OD1 3.38Å; F83-D217 WeakPolarHBondContact CE2-OD2 3.36Å; F83-D217 VanDerWaalsContact CZ-CG 3.45Å; F83-D217 VanDerWaalsContact CZ-OD1 3.32Å; F83-D217 WeakPolarHBondContact CZ-OD1 3.46Å; F83-D217 WeakPolarHBondContact CZ-OD2 3.44Å; D217-D219 WeakPolarHBondContact CB-OD1 3.19Å; D217-D219 PolarHBondContact O-N 3.38Å
218E97.8Very high94Very high29 Ų2943.6 Ų43.614%0.13622%0.222CC..THydrogen-bonded Turntrans54.926.7-169.4-53.5-178.4-168.700113.6Q75 S118 R211 M212 T216 I220Q75-E218 HydrophobicContact CG-CB 4.07Å; Q75-E218 HydrophobicContact CG-CG 3.86Å; Q75-E218 PolarHBondContact NE2-OE2 3.46Å; S118-E218 VanDerWaalsContact CB-OE2 3.26Å; S118-E218 WeakPolarHBondContact CB-OE2 3.32Å; S118-E218 PolarHBondContact OG-OE2 3.19Å; R211-E218 WeakPolarHBondContact O-CA 3.07Å; M212-E218 HydrophobicContact CB-CG 4.24Å; M212-E218 VanDerWaalsContact CE-OE1 3.23Å; M212-E218 WeakPolarHBondContact CE-OE1 3.3Å; M212-E218 HydrophobicContact CG-CG 4.05Å; T216-E218 PolarHBondContact O-N 3.35Å; T216-E218 PolarHBondContact OG1-N 3.39Å; E218-I220 PolarHBondContact O-N 3.14Å
219D98.7Very high93.8Very high9 Ų943.9 Ų43.95%0.04822%0.224CC..  trans-58.4120.3-173.5-85.54.9000112.4T56 F72 C73 T74 L137 T216 D217T56-D219 WeakPolarHBondContact CB-OD2 3.49Å; T56-D219 HydrophobicContact CG2-CB 4.11Å; T56-D219 WeakPolarHBondContact OG1-CB 3.45Å; T56-D219 PolarHBondContact OG1-OD2 3.21Å; F72-D219 HydrophobicContact CE2-CB 4.02Å; F72-D219 WeakPolarHBondContact CE2-OD1 3.23Å; C73-D219 WeakPolarHBondContact O-CA 3.17Å; T74-D219 WeakPolarHBondContact CB-OD1 3.25Å; T74-D219 PolarHBondContact OG1-OD1 3.34Å; L137-D219 HydrophobicContact CB-CB 3.79Å; L137-D219 HydrophobicContact CD2-CB 4.17Å; L137-D219 PolarHBondContact N-O 3.22Å; T216-D219 VanDerWaalsContact O-CB 3.25Å; T216-D219 WeakPolarHBondContact O-CB 3.08Å; T216-D219 PolarHBondContact O-N 2.03Å; D217-D219 WeakPolarHBondContact CB-OD1 3.19Å; D217-D219 PolarHBondContact O-N 3.38Å
220I98.8Very high93.5Very high0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans-137.8123173.7-178.3162.6000110.5C73 V119 I124 A134 V136 E218 F222C73-I220 HydrophobicContact CB-CG2 3.74Å; C73-I220 PolarHBondContact N-O 3.17Å; C73-I220 PolarHBondContact O-N 3.41Å; V119-I220 HydrophobicContact CB-CG2 4.14Å; V119-I220 HydrophobicContact CG2-CG2 3.68Å; I124-I220 HydrophobicContact CD1-CD1 3.78Å; I124-I220 HydrophobicContact CG1-CD1 3.75Å; A134-I220 HydrophobicContact CB-CD1 3.92Å; A134-I220 HydrophobicContact CB-CG1 3.96Å; V136-I220 HydrophobicContact CG2-CD1 3.83Å; V136-I220 HydrophobicContact CG2-CG1 3.93Å; E218-I220 PolarHBondContact O-N 3.14Å; I220-F222 HydrophobicContact CD1-CD1 4.33Å; I220-F222 HydrophobicContact CD1-CE1 3.74Å; I220-F222 HydrophobicContact CD1-CE2 4.06Å; I220-F222 HydrophobicContact CD1-CZ 3.62Å; I220-F222 HydrophobicContact CG1-CD1 4.46Å; I220-F222 HydrophobicContact CG1-CD2 4.32Å; I220-F222 HydrophobicContact CG1-CE1 4.3Å; I220-F222 HydrophobicContact CG1-CE2 4.14Å; I220-F222 HydrophobicContact CG1-CZ 4.17Å; I220-F222 HydrophobicContact CG2-CD2 4.49Å; I220-F222 HydrophobicContact CG2-CE2 4.01Å
221L98.9Very high93.3Very high0 Ų041.9 Ų41.90%022%0.217CC..EExtended strand (participates in β ladder)trans-101.1106.5172.2-179.863.2000108.5T56 L59 A60 M63 H70 F72 A134 I135 I223T56-L221 HydrophobicContact CG2-CB 4.2Å; L59-L221 HydrophobicContact CB-CD2 3.76Å; A60-L221 HydrophobicContact CB-CD1 3.94Å; M63-L221 HydrophobicContact CG-CD2 3.98Å; H70-L221 HydrophobicContact CB-CD1 4.07Å; F72-L221 HydrophobicContact CB-CD1 3.92Å; A134-L221 CarbonylContact C-O 3.53Å; A134-L221 VanDerWaalsContact CA-O 3.28Å; A134-L221 WeakPolarHBondContact CA-O 3.05Å; I135-L221 HydrophobicContact CB-CB 4.34Å; I135-L221 HydrophobicContact CD1-CD2 4.46Å; I135-L221 PolarHBondContact N-O 2.49Å; I135-L221 PolarHBondContact O-N 3.04Å; L221-I223 HydrophobicContact CG-CD1 4.15Å; L221-I223 HydrophobicContact CG-CG1 4.32Å; L221-I223 WeakPolarHBondContact O-CD1 3.09Å
222F98.8Very high93Very high0 Ų044.3 Ų44.30%023%0.23CC..EExtended strand (participates in β ladder)trans-78.5131171.1-71.3-69.7000110.2H70 R71 V119 I124 H127 A134 I220 F224H70-F222 CarbonylContact C-O 3.36Å; H70-F222 WeakPolarHBondContact CA-O 3.33Å; H70-F222 WeakPolarHBondContact CB-O 3.49Å; R71-F222 HydrophobicContact CB-CB 4.35Å; R71-F222 VanDerWaalsContact CZ-CD2 3.5Å; R71-F222 PolarHBondContact N-O 3.18Å; R71-F222 VanDerWaalsContact NH2-CD2 3.3Å; R71-F222 WeakPolarHBondContact O-CB 3.34Å; R71-F222 PolarHBondContact O-N 3.22Å; V119-F222 HydrophobicContact CG1-CE2 3.91Å; V119-F222 HydrophobicContact CG1-CZ 3.59Å; V119-F222 HydrophobicContact CG2-CE2 3.95Å; V119-F222 HydrophobicContact CG2-CZ 4.48Å; I124-F222 HydrophobicContact CG1-CE1 4.37Å; I124-F222 HydrophobicContact CG1-CZ 4.15Å; H127-F222 HydrophobicContact CB-CD1 4.04Å; H127-F222 HydrophobicContact CB-CE1 3.83Å; H127-F222 AromaticContact CD2-CD1 3.37Å; H127-F222 WeakPolarHBondContact CD2-CD1 3.38Å; H127-F222 AromaticContact CD2-CE1 3.93Å; H127-F222 AromaticContact CE1-CD1 3.75Å; H127-F222 AromaticContact CG-CD1 3.44Å; H127-F222 VanDerWaalsContact CG-CD1 3.44Å; H127-F222 AromaticContact CG-CE1 3.77Å; H127-F222 AromaticContact ND1-CD1 3.69Å; H127-F222 AromaticContact NE2-CD1 3.54Å; A134-F222 HydrophobicContact CB-CD1 3.93Å; A134-F222 HydrophobicContact CB-CE1 4.28Å; I220-F222 HydrophobicContact CD1-CD1 4.33Å; I220-F222 HydrophobicContact CD1-CE1 3.74Å; I220-F222 HydrophobicContact CD1-CE2 4.06Å; I220-F222 HydrophobicContact CD1-CZ 3.62Å; I220-F222 HydrophobicContact CG1-CD1 4.46Å; I220-F222 HydrophobicContact CG1-CD2 4.32Å; I220-F222 HydrophobicContact CG1-CE1 4.3Å; I220-F222 HydrophobicContact CG1-CE2 4.14Å; I220-F222 HydrophobicContact CG1-CZ 4.17Å; I220-F222 HydrophobicContact CG2-CD2 4.49Å; I220-F222 HydrophobicContact CG2-CE2 4.01Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 HydrophobicContact CB-CZ 4.3Å
223I98.6Very high92.7Very high1 Ų141.5 Ų41.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-120.5124.8177.3-5495000108.4V29 L33 M63 V68 H127 H132 V133 I135 L221V29-I223 HydrophobicContact CB-CD1 4.47Å; V29-I223 HydrophobicContact CG1-CD1 4.27Å; V29-I223 HydrophobicContact CG2-CD1 4.26Å; V29-I223 HydrophobicContact CG2-CG1 4.31Å; L33-I223 HydrophobicContact CD1-CB 4.1Å; L33-I223 HydrophobicContact CD1-CG2 3.64Å; M63-I223 HydrophobicContact CG-CG1 4.41Å; M63-I223 HydrophobicContact SD-CG1 4.31Å; V68-I223 HydrophobicContact CG1-CG2 3.44Å; V68-I223 VanDerWaalsContact CG1-CG2 3.44Å; H127-I223 PolarHBondContact NE2-O 3Å; H132-I223 WeakPolarHBondContact CB-O 3.22Å; V133-I223 HydrophobicContact CG2-CB 4.35Å; V133-I223 PolarHBondContact N-O 3.08Å; V133-I223 PolarHBondContact O-N 2.88Å; V133-I223 VanDerWaalsContact O-O 3.07Å; I135-I223 HydrophobicContact CB-CD1 4.39Å; I135-I223 HydrophobicContact CD1-CD1 4.16Å; I135-I223 HydrophobicContact CG1-CD1 3.8Å; L221-I223 HydrophobicContact CG-CD1 4.15Å; L221-I223 HydrophobicContact CG-CG1 4.32Å; L221-I223 WeakPolarHBondContact O-CD1 3.09Å
224F97.6Very high92.6Very high39 Ų3943.1 Ų43.117%0.17122%0.222CC..PPolyproline II helixtrans-97.4138.3-173.1-59.4-97.3000110.5R69 R71 H127 H132 F222R69-F224 HydrophobicContact CB-CB 4.19Å; R69-F224 HydrophobicContact CG-CB 4.28Å; R69-F224 HydrophobicContact CG-CD2 4.11Å; R69-F224 HydrophobicContact CG-CG 4.39Å; R69-F224 WeakPolarHBondContact O-CD2 3.38Å; R69-F224 PolarHBondContact O-N 3.46Å; R71-F224 HydrophobicContact CB-CE2 3.86Å; R71-F224 HydrophobicContact CB-CZ 4.23Å; H127-F224 AromaticContact CE1-CD1 3.74Å; H127-F224 AromaticContact CE1-CE1 3.65Å; H127-F224 AromaticContact CE1-CZ 3.97Å; H127-F224 AromaticContact ND1-CE1 3.76Å; H132-F224 AromaticContact CD2-CD1 3.72Å; H132-F224 AromaticContact NE2-CD1 3.79Å; F222-F224 HydrophobicContact CB-CE2 4.18Å; F222-F224 HydrophobicContact CB-CZ 4.3Å
225K92.1Very high92.6Very high96 Ų9636.7 Ų36.742%0.41720%0.201SC..PPolyproline II helixtrans-66.8137.4167.9-165.6168.4179.3-1790109L33 R69 H132L33-K225 HydrophobicContact CD2-CB 3.6Å; L33-K225 HydrophobicContact CD2-CD 4.01Å; L33-K225 HydrophobicContact CD2-CG 3.7Å; R69-K225 PolarHBondContact NH1-O 3.48Å; H132-K225 WeakPolarHBondContact ND1-CB 3.41Å; H132-K225 PolarHBondContact ND1-N 3.23Å; H132-K225 VanDerWaalsContact ND1-N 3.11Å
226E82.3Confident92.8Very high107 Ų10739.7 Ų39.750%0.522%0.217SC..PPolyproline II helixtrans-65.2140.5168.5-63.5-156.5150.200109.8
227S59.7Low92.6Very high173 Ų17343.2 Ų43.2100%1.2124%0.236SC*.  trans-88.80-174.8-51.30000110.1

Retrieved 227 of 227 residues in 255.1 ms (Link to these results)

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