A0A077ZFK7_TRITR Loading...

Acetyltransf 9 domain containing protein

AlphaFold DB (Q32BH7), UniProt , Accession A0A077ZFK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M87.4Confident96.7Very high108 Ų10871.5 Ų71.553%0.53239%0.386SS..  0129.60-173.217680.600109.4T47 D49 I54 L88M1-T47 CarbonylContact C-O 3.58Å; M1-T47 WeakPolarHBondContact CA-O 3.5Å; M1-D49 PolarHBondContact N-OD1 3.34Å; M1-I54 HydrophobicContact CG-CD1 4.37Å; M1-I54 HydrophobicContact SD-CD1 4.4Å; M1-L88 HydrophobicContact CE-CD2 3.69Å; M1-L88 HydrophobicContact CE-CG 4.4Å; M1-L88 HydrophobicContact CG-CD2 4.41Å; M1-L88 HydrophobicContact SD-CD1 4.05Å; M1-L88 HydrophobicContact SD-CD2 3.44Å; M1-L88 WeakPolarHBondContact SD-CD2 3.5Å; M1-L88 HydrophobicContact SD-CG 3.98Å
2L95.1Very high96.9Very high92 Ų9273.3 Ų73.348%0.48241%0.405SS..EExtended strand (participates in β ladder)trans-134.6132.1-174.4175.765.3000110R4 A46 T47L2-R4 HydrophobicContact CD2-CG 4.28Å; L2-R4 HydrophobicContact CG-CB 4.48Å; L2-R4 HydrophobicContact CG-CG 4.32Å; L2-A46 CarbonylContact O-C 3.6Å; L2-A46 VanDerWaalsContact O-CA 3.32Å; L2-A46 WeakPolarHBondContact O-CA 3.1Å; L2-T47 PolarHBondContact N-O 2.95Å; L2-T47 PolarHBondContact O-N 3.35Å
3I97.7Very high97Very high44 Ų4469.5 Ų69.523%0.22639%0.392CS..EExtended strand (participates in β ladder)trans-101.7131166.2-65176.1000107.9L44 V45 A46 Q91 L92 E95I3-L44 HydrophobicContact CG2-CD1 4.44Å; I3-V45 VanDerWaalsContact CA-O 3.32Å; I3-V45 WeakPolarHBondContact CA-O 3.32Å; I3-A46 HydrophobicContact CG1-CB 4.1Å; I3-Q91 HydrophobicContact CD1-CB 3.48Å; I3-Q91 VanDerWaalsContact CD1-CB 3.48Å; I3-L92 HydrophobicContact CD1-CD2 4.48Å; I3-L92 HydrophobicContact CD1-CG 4.41Å; I3-L92 HydrophobicContact CG1-CD2 4.46Å; I3-L92 HydrophobicContact CG2-CD2 4.18Å; I3-E95 HydrophobicContact CG2-CB 4.35Å; I3-E95 HydrophobicContact CG2-CG 4.31Å
4R97.7Very high97.1Very high65 Ų6564.6 Ų64.625%0.24537%0.365CS..EExtended strand (participates in β ladder)trans-156.6165.8178.458.5169.2178.774.55111.4L2 D10 L44 V45L2-R4 HydrophobicContact CD2-CG 4.28Å; L2-R4 HydrophobicContact CG-CB 4.48Å; L2-R4 HydrophobicContact CG-CG 4.32Å; R4-D10 IonicContact CZ-OD1 3.36Å; R4-D10 IonicContact CZ-OD2 2.89Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 2.72Å; R4-D10 PolarHBondContact NH1-OD2 3.07Å; R4-D10 IonicContact NH2-OD1 3.93Å; R4-D10 PolarHBondContact NH2-OD1 2.87Å; R4-D10 IonicContact NH2-OD2 2.71Å; R4-D10 PolarHBondContact NH2-OD2 3.1Å; R4-L44 WeakPolarHBondContact O-CA 3.45Å; R4-V45 HydrophobicContact CG-CG2 3.92Å; R4-V45 PolarHBondContact N-O 2.9Å; R4-V45 PolarHBondContact O-N 3.27Å
5V98.2Very high97.2Very high74 Ų7463.6 Ų63.645%0.44836%0.358SS..EExtended strand (participates in β ladder)trans-56.9138.2167.6-177.40000109.9L42 G43 L44V5-L42 HydrophobicContact CG1-CD1 4.12Å; V5-L42 HydrophobicContact CG2-CD1 4.13Å; V5-G43 CarbonylContact C-O 3.57Å; V5-G43 WeakPolarHBondContact CA-O 3.27Å; V5-L44 HydrophobicContact CB-CD2 4.39Å; V5-L44 HydrophobicContact CG2-CD2 3.88Å
6E98.5Very high97.3Very high29 Ų2962.4 Ų62.414%0.13636%0.358CS..  trans-62148.5175.178.8164.5-129.500110.8D10 I14 R35 L40 G43 V45 Y56E6-D10 WeakPolarHBondContact CA-OD2 3.2Å; E6-I14 HydrophobicContact CB-CD1 4.2Å; E6-R35 VanDerWaalsContact CD-NH2 3.26Å; E6-R35 IonicContact OE1-CZ 3.68Å; E6-R35 IonicContact OE1-NE 2.85Å; E6-R35 PolarHBondContact OE1-NE 3.2Å; E6-R35 IonicContact OE1-NH2 3.7Å; E6-R35 PolarHBondContact OE1-NH2 3.46Å; E6-R35 IonicContact OE2-CZ 3.15Å; E6-R35 IonicContact OE2-NH2 3.42Å; E6-R35 PolarHBondContact OE2-NH2 3.03Å; E6-L40 WeakPolarHBondContact OE1-CD2 3.41Å; E6-G43 PolarHBondContact N-O 3.16Å; E6-V45 HydrophobicContact CB-CG1 4.13Å; E6-Y56 HydrophobicContact CB-CE2 4.49Å; E6-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E6-Y56 VanDerWaalsContact OE2-CZ 3.24Å; E6-Y56 PolarHBondContact OE2-OH 3.28Å
7I97.6Very high97.4Very high83 Ų8358.7 Ų58.743%0.42634%0.337SS..  trans-131.2164.817167.2-179.8000108.8I9 D10I7-I9 HydrophobicContact CD1-CG2 3.74Å; I7-I9 HydrophobicContact CG1-CB 4.47Å; I7-I9 HydrophobicContact CG1-CG2 3.69Å; I7-I9 PolarHBondContact O-N 3.17Å; I7-D10 WeakPolarHBondContact CG1-OD2 3.35Å; I7-D10 PolarHBondContact N-OD2 3.44Å; I7-D10 WeakPolarHBondContact O-CB 3.42Å; I7-D10 PolarHBondContact O-N 3.45Å
8P97.5Very high97.5Very high119 Ų11955.4 Ų55.477%0.77332%0.319SS*.G310 helixtrans-54.7-27.7-174-30.637000115.6D10 A11P8-D10 PolarHBondContact O-N 3.31Å; P8-A11 PolarHBondContact O-N 3.32Å
9I97.3Very high97.5Very high134 Ų13457.5 Ų57.569%0.68732%0.32SS*.G310 helixtrans-67.4-21.1178-151.1172.5000113.1I7 P12I7-I9 HydrophobicContact CD1-CG2 3.74Å; I7-I9 HydrophobicContact CG1-CB 4.47Å; I7-I9 HydrophobicContact CG1-CG2 3.69Å; I7-I9 PolarHBondContact O-N 3.17Å; I9-P12 WeakPolarHBondContact O-CD 3.25Å
10D98.4Very high97.5Very high6 Ų660 Ų603%0.03233%0.325CS..G310 helixtrans-80.1-19.4-176.8-58.4-41.7000112.3R4 E6 I7 P8 G13 I14 V45 V53R4-D10 IonicContact CZ-OD1 3.36Å; R4-D10 IonicContact CZ-OD2 2.89Å; R4-D10 IonicContact NH1-OD1 3.96Å; R4-D10 IonicContact NH1-OD2 2.72Å; R4-D10 PolarHBondContact NH1-OD2 3.07Å; R4-D10 IonicContact NH2-OD1 3.93Å; R4-D10 PolarHBondContact NH2-OD1 2.87Å; R4-D10 IonicContact NH2-OD2 2.71Å; R4-D10 PolarHBondContact NH2-OD2 3.1Å; E6-D10 WeakPolarHBondContact CA-OD2 3.2Å; I7-D10 WeakPolarHBondContact CG1-OD2 3.35Å; I7-D10 PolarHBondContact N-OD2 3.44Å; I7-D10 WeakPolarHBondContact O-CB 3.42Å; I7-D10 PolarHBondContact O-N 3.45Å; P8-D10 PolarHBondContact O-N 3.31Å; D10-G13 CarbonylContact O-C 3.54Å; D10-G13 WeakPolarHBondContact O-CA 3.37Å; D10-G13 PolarHBondContact O-N 3.3Å; D10-I14 HydrophobicContact CB-CD1 3.7Å; D10-I14 HydrophobicContact CB-CG1 4.17Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 3.18Å; D10-V45 HydrophobicContact CB-CG1 4.14Å; D10-V53 HydrophobicContact CB-CG2 4.19Å
11A98.5Very high97.6Very high32 Ų3258.1 Ų58.126%0.26432%0.316SS..Hα-helixtrans-52.6-43.9-171.600000113.8P8 G13 I14 D15P8-A11 PolarHBondContact O-N 3.32Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.18Å; A11-I14 PolarHBondContact O-N 3.39Å; A11-D15 WeakPolarHBondContact O-CB 3.46Å; A11-D15 PolarHBondContact O-N 2.67Å
12P98.5Very high98Very high94 Ų9455.4 Ų55.461%0.6130%0.301SS*.Hα-helixtrans-64.8-36.4174.7-20.633.8000113.2I9 A16I9-P12 WeakPolarHBondContact O-CD 3.25Å; P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.41Å; P12-A16 PolarHBondContact O-N 2.8Å
13G98.7Very high98Very high23 Ų2360 Ų6024%0.23732%0.321CS..Hα-helixtrans-70.2-39.7178.100000112.5D10 A11 L17D10-G13 CarbonylContact O-C 3.54Å; D10-G13 WeakPolarHBondContact O-CA 3.37Å; D10-G13 PolarHBondContact O-N 3.3Å; A11-G13 VanDerWaalsContact C-N 3.34Å; A11-G13 PolarHBondContact O-N 3.18Å; G13-L17 WeakPolarHBondContact O-CB 3.27Å; G13-L17 PolarHBondContact O-N 3.06Å
14I98.8Very high98Very high1 Ų160.5 Ų60.51%0.00533%0.328CS..Hα-helixtrans-63.7-52.4173.9-66.1162.8000109.9E6 D10 A11 A16 L17 L18 V31 V45 V53 Y56E6-I14 HydrophobicContact CB-CD1 4.2Å; D10-I14 HydrophobicContact CB-CD1 3.7Å; D10-I14 HydrophobicContact CB-CG1 4.17Å; D10-I14 WeakPolarHBondContact O-CG1 3.46Å; D10-I14 PolarHBondContact O-N 3.18Å; A11-I14 PolarHBondContact O-N 3.39Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.16Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.85Å; I14-L18 HydrophobicContact CG2-CD1 3.76Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.86Å; I14-V31 HydrophobicContact CG2-CG1 4.03Å; I14-V45 HydrophobicContact CD1-CG1 3.77Å; I14-V45 HydrophobicContact CG1-CG1 3.82Å; I14-V53 HydrophobicContact CG1-CG1 4.12Å; I14-V53 HydrophobicContact CG1-CG2 4.47Å; I14-Y56 HydrophobicContact CD1-CD2 3.92Å; I14-Y56 HydrophobicContact CD1-CE2 3.47Å; I14-Y56 VanDerWaalsContact CD1-CE2 3.47Å; I14-Y56 HydrophobicContact CG1-CD2 3.79Å; I14-Y56 HydrophobicContact CG1-CE2 3.86Å; I14-Y56 HydrophobicContact CG1-CG 4.32Å; I14-Y56 HydrophobicContact CG2-CD1 3.79Å; I14-Y56 HydrophobicContact CG2-CD2 4.11Å; I14-Y56 HydrophobicContact CG2-CE1 3.68Å; I14-Y56 HydrophobicContact CG2-CE2 4.02Å; I14-Y56 HydrophobicContact CG2-CG 3.97Å
15D98.8Very high98Very high50 Ų5060.5 Ų60.527%0.26733%0.333SS..Hα-helixtrans-56-48.7178.5177.690.5000110.8A11 L17 L18 R19A11-D15 WeakPolarHBondContact O-CB 3.46Å; A11-D15 PolarHBondContact O-N 2.67Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.07Å; D15-L18 PolarHBondContact O-N 2.79Å; D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.39Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.06Å; D15-R19 IonicContact OD1-NE 2.79Å; D15-R19 PolarHBondContact OD1-NE 3.24Å; D15-R19 VanDerWaalsContact OD1-NE 3.15Å; D15-R19 IonicContact OD1-NH2 3.88Å; D15-R19 PolarHBondContact OD1-NH2 2.77Å; D15-R19 WeakPolarHBondContact OD2-CD 3.46Å; D15-R19 IonicContact OD2-CZ 2.8Å; D15-R19 IonicContact OD2-NE 3.22Å; D15-R19 PolarHBondContact OD2-NE 3Å; D15-R19 IonicContact OD2-NH2 2.89Å
16A98.6Very high98Very high44 Ų4458 Ų5836%0.36432%0.32SS..Hα-helixtrans-62.3-33.217700000113.2P12 I14 R20P12-A16 VanDerWaalsContact O-CB 3.29Å; P12-A16 WeakPolarHBondContact O-CB 3.41Å; P12-A16 PolarHBondContact O-N 2.8Å; I14-A16 VanDerWaalsContact C-N 3.33Å; I14-A16 PolarHBondContact O-N 3.16Å; A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.44Å; A16-R20 PolarHBondContact O-NH1 2.83Å
17L98.7Very high97.9Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-69.5-46177.1172.166.2000110.9G13 I14 D15 R20 S21 V53 A78 D80G13-L17 WeakPolarHBondContact O-CB 3.27Å; G13-L17 PolarHBondContact O-N 3.06Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 2.85Å; D15-L17 VanDerWaalsContact C-N 3.29Å; D15-L17 PolarHBondContact O-N 3.07Å; L17-R20 VanDerWaalsContact CA-CZ 3.45Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.22Å; L17-S21 WeakPolarHBondContact CD1-OG 3.42Å; L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.05Å; L17-S21 PolarHBondContact O-OG 3.04Å; L17-V53 HydrophobicContact CD2-CG1 3.97Å; L17-A78 HydrophobicContact CD2-CB 4.29Å; L17-A78 HydrophobicContact CG-CB 4.33Å; L17-D80 HydrophobicContact CD1-CB 3.82Å
18L98.7Very high98Very high0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-65.1-47.4-177-64.7175.6000110.6I14 D15 R20 S21 F22 A28 V31 Y56 P76 A78I14-L18 HydrophobicContact CG2-CD1 3.76Å; I14-L18 HydrophobicContact CG2-CG 4.27Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.47Å; I14-L18 PolarHBondContact O-N 2.86Å; D15-L18 PolarHBondContact O-N 2.79Å; L18-R20 PolarHBondContact O-N 3.33Å; L18-S21 PolarHBondContact O-N 3.03Å; L18-F22 HydrophobicContact CD2-CD2 4.32Å; L18-F22 HydrophobicContact CD2-CE2 3.75Å; L18-F22 WeakPolarHBondContact O-CD2 3.2Å; L18-F22 PolarHBondContact O-N 2.67Å; L18-A28 HydrophobicContact CB-CB 3.85Å; L18-V31 HydrophobicContact CD1-CB 3.88Å; L18-V31 HydrophobicContact CD1-CG1 4.23Å; L18-V31 HydrophobicContact CD1-CG2 3.69Å; L18-Y56 HydrophobicContact CD1-CD1 4.35Å; L18-Y56 HydrophobicContact CD1-CE1 4.46Å; L18-Y56 HydrophobicContact CD2-CD1 4.22Å; L18-P76 HydrophobicContact CD1-CG 4.04Å; L18-P76 HydrophobicContact CD2-CB 4.14Å; L18-P76 HydrophobicContact CD2-CG 3.52Å; L18-P76 HydrophobicContact CG-CG 4.44Å; L18-A78 HydrophobicContact CD2-CB 3.91Å
19R98.3Very high98Very high94 Ų9454.3 Ų54.336%0.35529%0.289SS..Hα-helixtrans-59.6-30.1178.7-66.2-178-171.5-79.1-10.6114.7D15 D25 A28D15-R19 VanDerWaalsContact CG-NE 3.3Å; D15-R19 WeakPolarHBondContact O-CG 3.39Å; D15-R19 PolarHBondContact O-N 2.97Å; D15-R19 IonicContact OD1-CZ 3.06Å; D15-R19 IonicContact OD1-NE 2.79Å; D15-R19 PolarHBondContact OD1-NE 3.24Å; D15-R19 VanDerWaalsContact OD1-NE 3.15Å; D15-R19 IonicContact OD1-NH2 3.88Å; D15-R19 PolarHBondContact OD1-NH2 2.77Å; D15-R19 WeakPolarHBondContact OD2-CD 3.46Å; D15-R19 IonicContact OD2-CZ 2.8Å; D15-R19 IonicContact OD2-NE 3.22Å; D15-R19 PolarHBondContact OD2-NE 3Å; D15-R19 IonicContact OD2-NH2 2.89Å; R19-D25 WeakPolarHBondContact CG-OD1 3.29Å; R19-D25 IonicContact CZ-OD1 2.83Å; R19-D25 IonicContact NH1-OD1 3.22Å; R19-D25 PolarHBondContact NH1-OD1 2.76Å; R19-D25 IonicContact NH1-OD2 3.89Å; R19-D25 PolarHBondContact NH1-OD2 3.15Å; R19-A28 HydrophobicContact CG-CB 3.65Å
20R97.9Very high98.1Very high107 Ų10748.6 Ų48.640%0.40426%0.26SS..Hα-helixtrans-91.9-11.9177.974.9-175.3178.2-96.40113.6A16 L17 L18 V53 D80A16-R20 VanDerWaalsContact O-CG 3.28Å; A16-R20 WeakPolarHBondContact O-CG 3.44Å; A16-R20 PolarHBondContact O-NH1 2.83Å; L17-R20 VanDerWaalsContact CA-CZ 3.45Å; L17-R20 WeakPolarHBondContact O-CG 3.35Å; L17-R20 PolarHBondContact O-N 3.22Å; L18-R20 PolarHBondContact O-N 3.33Å; R20-V53 PolarHBondContact NH2-O 3.39Å; R20-V53 VanDerWaalsContact NH2-O 3.16Å; R20-D80 IonicContact CZ-OD2 2.89Å; R20-D80 IonicContact NE-OD2 2.75Å; R20-D80 PolarHBondContact NE-OD2 3.22Å; R20-D80 IonicContact NH2-OD2 3.3Å; R20-D80 PolarHBondContact NH2-OD2 2.81Å
21S97.8Very high98.1Very high21 Ų2148.4 Ų48.415%0.14726%0.259CS..Hα-helixtrans-98.8-24.8-174.8-62.90000113.7L17 L18L17-S21 WeakPolarHBondContact CD1-OG 3.42Å; L17-S21 WeakPolarHBondContact O-CB 3.33Å; L17-S21 PolarHBondContact O-N 3.05Å; L17-S21 PolarHBondContact O-OG 3.04Å; L18-S21 PolarHBondContact O-N 3.03Å
22F97Very high98.1Very high51 Ų5151.7 Ų51.722%0.22427%0.269CS..SBendtrans-113.6160.7-178.2-66.6-84.5000111.5L18 S24 E27 P76 A78L18-F22 HydrophobicContact CD2-CD2 4.32Å; L18-F22 HydrophobicContact CD2-CE2 3.75Å; L18-F22 WeakPolarHBondContact O-CD2 3.2Å; L18-F22 PolarHBondContact O-N 2.67Å; F22-S24 PolarHBondContact O-N 3.09Å; F22-E27 HydrophobicContact CB-CG 4.47Å; F22-E27 WeakPolarHBondContact CB-OE2 3.31Å; F22-E27 VanDerWaalsContact CD1-CD 3.5Å; F22-E27 HydrophobicContact CD1-CG 3.82Å; F22-E27 HydrophobicContact CD2-CB 3.77Å; F22-E27 HydrophobicContact CD2-CG 3.71Å; F22-E27 HydrophobicContact CE1-CG 3.92Å; F22-E27 HydrophobicContact CE2-CB 4Å; F22-E27 HydrophobicContact CE2-CG 3.82Å; F22-E27 HydrophobicContact CG-CB 4.18Å; F22-E27 VanDerWaalsContact CG-CD 3.48Å; F22-E27 HydrophobicContact CG-CG 3.73Å; F22-E27 HydrophobicContact CZ-CG 3.94Å; F22-P76 HydrophobicContact CE2-CB 4Å; F22-P76 HydrophobicContact CZ-CB 3.83Å; F22-A78 HydrophobicContact CE2-CB 3.92Å; F22-A78 HydrophobicContact CZ-CB 4.37Å
23E95.6Very high98.1Very high190 Ų19049.3 Ų49.389%0.88825%0.251SS*.SBendtrans-69-17.6-179.4-64.979.8-176.300113.3
24S96.6Very high98.1Very high53 Ų5348.2 Ų48.237%0.37124%0.24SC..SBendtrans-138.2171.7-179.785.80000111.7F22 A26F22-S24 PolarHBondContact O-N 3.09Å; S24-A26 PolarHBondContact O-N 3.06Å; S24-A26 WeakPolarHBondContact OG-CB 3.28Å; S24-A26 PolarHBondContact OG-N 2.89Å; S24-A26 VanDerWaalsContact OG-N 3.09Å
25D97.5Very high98Very high66 Ų6651.2 Ų51.235%0.35325%0.251SS..SBendtrans-79.22.7173.3-68.9-36.5000113.6R19 E27 A28 K29R19-D25 WeakPolarHBondContact CG-OD1 3.29Å; R19-D25 IonicContact CZ-OD1 2.83Å; R19-D25 IonicContact NH1-OD1 3.22Å; R19-D25 PolarHBondContact NH1-OD1 2.76Å; R19-D25 IonicContact NH1-OD2 3.89Å; R19-D25 PolarHBondContact NH1-OD2 3.15Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.03Å; D25-A28 PolarHBondContact O-N 3.03Å; D25-K29 HydrophobicContact CB-CD 4.33Å; D25-K29 WeakPolarHBondContact O-CG 3.4Å; D25-K29 PolarHBondContact O-N 2.93Å
26A97.7Very high98Very high22 Ų2255.7 Ų55.718%0.18227%0.27CS..Hα-helixtrans-58.8-44.1-17000000112.3S24 K29 L30S24-A26 PolarHBondContact O-N 3.06Å; S24-A26 WeakPolarHBondContact OG-CB 3.28Å; S24-A26 PolarHBondContact OG-N 2.89Å; S24-A26 VanDerWaalsContact OG-N 3.09Å; A26-K29 PolarHBondContact O-N 3.38Å; A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 3.06Å
27E98.1Very high98Very high48 Ų4858 Ų5822%0.22428%0.276CS..Hα-helixtrans-66.8-41.5179.7-70.876-16900112F22 D25 L30 V31 P76F22-E27 HydrophobicContact CB-CG 4.47Å; F22-E27 WeakPolarHBondContact CB-OE2 3.31Å; F22-E27 VanDerWaalsContact CD1-CD 3.5Å; F22-E27 HydrophobicContact CD1-CG 3.82Å; F22-E27 HydrophobicContact CD2-CB 3.77Å; F22-E27 HydrophobicContact CD2-CG 3.71Å; F22-E27 HydrophobicContact CE1-CG 3.92Å; F22-E27 HydrophobicContact CE2-CB 4Å; F22-E27 HydrophobicContact CE2-CG 3.82Å; F22-E27 HydrophobicContact CG-CB 4.18Å; F22-E27 VanDerWaalsContact CG-CD 3.48Å; F22-E27 HydrophobicContact CG-CG 3.73Å; F22-E27 HydrophobicContact CZ-CG 3.94Å; D25-E27 VanDerWaalsContact C-N 3.35Å; D25-E27 PolarHBondContact O-N 3.03Å; E27-L30 PolarHBondContact O-N 2.89Å; E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.37Å; E27-P76 HydrophobicContact CB-CB 4.16Å; E27-P76 HydrophobicContact CB-CG 4.26Å; E27-P76 HydrophobicContact CG-CB 3.99Å
28A98.5Very high97.9Very high2 Ų261 Ų612%0.01731%0.308CS..Hα-helixtrans-62.7-46.2177.200000111L18 R19 D25 V31 H32L18-A28 HydrophobicContact CB-CB 3.85Å; R19-A28 HydrophobicContact CG-CB 3.65Å; D25-A28 PolarHBondContact O-N 3.03Å; A28-V31 PolarHBondContact O-N 3.3Å; A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 3.28Å
29K98.4Very high97.9Very high103 Ų10364.9 Ų64.945%0.44833%0.325SS..Hα-helixtrans-65.4-40.7176.3-67172.1-179.5171.30111.7D25 A26 V31 H32 D33 R166D25-K29 HydrophobicContact CB-CD 4.33Å; D25-K29 WeakPolarHBondContact O-CG 3.4Å; D25-K29 PolarHBondContact O-N 2.93Å; A26-K29 PolarHBondContact O-N 3.38Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 2.95Å; K29-H32 WeakPolarHBondContact O-CB 2.92Å; K29-H32 PolarHBondContact O-N 2.85Å; K29-D33 WeakPolarHBondContact O-CB 3.25Å; K29-D33 PolarHBondContact O-N 3.18Å; K29-D33 VanDerWaalsContact O-OD2 3.06Å; K29-R166 PolarHBondContact O-NH1 3.49Å
30L98.5Very high97.9Very high14 Ų1461.9 Ų61.97%0.07332%0.315CS..Hα-helixtrans-57.6-48.9177.4172.464.5000110.9A26 E27 D33 L34 H163 F164 R166A26-L30 VanDerWaalsContact O-CB 3.28Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 PolarHBondContact O-N 3.06Å; E27-L30 PolarHBondContact O-N 2.89Å; L30-D33 PolarHBondContact O-N 2.84Å; L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.03Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.04Å; L30-H163 HydrophobicContact CD1-CB 3.92Å; L30-H163 WeakPolarHBondContact CD1-O 3.45Å; L30-F164 HydrophobicContact CD1-CD1 4.32Å; L30-F164 HydrophobicContact CD1-CD2 3.95Å; L30-F164 HydrophobicContact CD1-CE1 4.43Å; L30-F164 HydrophobicContact CD1-CE2 4.06Å; L30-F164 HydrophobicContact CD1-CG 4.09Å; L30-F164 HydrophobicContact CD1-CZ 4.3Å; L30-F164 HydrophobicContact CD2-CD1 3.91Å; L30-F164 HydrophobicContact CD2-CE1 3.63Å; L30-F164 HydrophobicContact CD2-CZ 3.98Å; L30-R166 VanDerWaalsContact N-NH1 3.14Å
31V98.6Very high97.9Very high2 Ų259 Ų591%0.01231%0.31CS..Hα-helixtrans-67.1-37179.9169.20000111.9I14 L18 E27 A28 K29 R35 Y56 P76I14-V31 HydrophobicContact CG2-CG1 4.03Å; L18-V31 HydrophobicContact CD1-CB 3.88Å; L18-V31 HydrophobicContact CD1-CG1 4.23Å; L18-V31 HydrophobicContact CD1-CG2 3.69Å; E27-V31 WeakPolarHBondContact O-CG2 3.34Å; E27-V31 PolarHBondContact O-N 3.37Å; A28-V31 PolarHBondContact O-N 3.3Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 2.95Å; V31-R35 VanDerWaalsContact CG1-NH2 3.33Å; V31-R35 VanDerWaalsContact O-CB 3.31Å; V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.09Å; V31-R35 VanDerWaalsContact O-N 3.16Å; V31-R35 PolarHBondContact O-NH1 2.84Å; V31-Y56 HydrophobicContact CG1-CE1 3.92Å; V31-Y56 HydrophobicContact CG2-CE1 3.99Å; V31-P76 HydrophobicContact CG2-CG 3.68Å
32H98.4Very high98Very high100 Ų10058.4 Ų58.446%0.46331%0.305SS..Hα-helixtrans-58.5-53.8171.8173.7-81.5000111.1A28 K29 R35 E36A28-H32 WeakPolarHBondContact O-CB 3.38Å; A28-H32 PolarHBondContact O-N 3.28Å; K29-H32 WeakPolarHBondContact O-CB 2.92Å; K29-H32 PolarHBondContact O-N 2.85Å; H32-R35 PolarHBondContact O-N 2.85Å; H32-E36 WeakPolarHBondContact O-CB 3.14Å; H32-E36 PolarHBondContact O-N 3.18Å
33D98.5Very high98Very high44 Ų4456.1 Ų56.124%0.23530%0.295CS..Hα-helixtrans-68.9-40.3-173.2-55.8-23.4000111.9K29 L30 R35 E36 D37 R166K29-D33 WeakPolarHBondContact O-CB 3.25Å; K29-D33 PolarHBondContact O-N 3.18Å; K29-D33 VanDerWaalsContact O-OD2 3.06Å; L30-D33 PolarHBondContact O-N 2.84Å; D33-R35 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 3.28Å; D33-E36 PolarHBondContact O-N 3.47Å; D33-D37 WeakPolarHBondContact O-CB 3.42Å; D33-D37 PolarHBondContact O-N 3.03Å; D33-R166 IonicContact OD2-CZ 2.67Å; D33-R166 VanDerWaalsContact OD2-CZ 3.3Å; D33-R166 IonicContact OD2-NH1 2.76Å; D33-R166 PolarHBondContact OD2-NH1 3Å; D33-R166 IonicContact OD2-NH2 3.2Å; D33-R166 PolarHBondContact OD2-NH2 3.19Å
34L98.5Very high98.2Very high0 Ų047.2 Ų47.20%025%0.254CS..Hα-helixtrans-59.6-40.5172.9-73.7170.2000111.8L30 G38 F39 L40 H161 H163 F164L30-L34 HydrophobicContact CD1-CD1 3.78Å; L30-L34 HydrophobicContact CD1-CG 4.03Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 VanDerWaalsContact O-CG 3.29Å; L30-L34 WeakPolarHBondContact O-CG 3.5Å; L30-L34 PolarHBondContact O-N 3.04Å; L34-G38 PolarHBondContact O-N 3.13Å; L34-F39 HydrophobicContact CD2-CB 3.72Å; L34-F39 CarbonylContact O-C 3.49Å; L34-F39 WeakPolarHBondContact O-CA 3.17Å; L34-F39 PolarHBondContact O-N 2.6Å; L34-L40 HydrophobicContact CB-CB 4.39Å; L34-L40 PolarHBondContact O-N 2.83Å; L34-L40 VanDerWaalsContact O-N 3.08Å; L34-H161 HydrophobicContact CD2-CB 4.17Å; L34-H163 HydrophobicContact CD2-CB 4.11Å; L34-H163 HydrophobicContact CG-CB 4.36Å; L34-F164 HydrophobicContact CD1-CE2 3.83Å; L34-F164 HydrophobicContact CD1-CZ 4.11Å; L34-F164 HydrophobicContact CD2-CE2 4.17Å
35R98.2Very high98.3Very high65 Ų6544.7 Ų44.725%0.24524%0.237CC..Hα-helixtrans-70.9-47.3179.6-174.5-177.3-64.393.13.4111.7E6 V31 H32 D33 D37 G38 L40 Y56E6-R35 VanDerWaalsContact CD-NH2 3.26Å; E6-R35 IonicContact OE1-CZ 3.68Å; E6-R35 IonicContact OE1-NE 2.85Å; E6-R35 PolarHBondContact OE1-NE 3.2Å; E6-R35 IonicContact OE1-NH2 3.7Å; E6-R35 PolarHBondContact OE1-NH2 3.46Å; E6-R35 IonicContact OE2-CZ 3.15Å; E6-R35 IonicContact OE2-NH2 3.42Å; E6-R35 PolarHBondContact OE2-NH2 3.03Å; V31-R35 VanDerWaalsContact CG1-NH2 3.33Å; V31-R35 VanDerWaalsContact O-CB 3.31Å; V31-R35 WeakPolarHBondContact O-CB 3.23Å; V31-R35 PolarHBondContact O-N 3.09Å; V31-R35 VanDerWaalsContact O-N 3.16Å; V31-R35 PolarHBondContact O-NH1 2.84Å; H32-R35 PolarHBondContact O-N 2.85Å; D33-R35 VanDerWaalsContact C-N 3.29Å; D33-R35 PolarHBondContact O-N 3.28Å; R35-D37 VanDerWaalsContact C-N 3.28Å; R35-D37 PolarHBondContact O-N 2.87Å; R35-G38 PolarHBondContact O-N 3Å; R35-L40 HydrophobicContact CB-CB 4.33Å; R35-L40 HydrophobicContact CB-CD2 4.18Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; R35-Y56 PolarHBondContact NH2-OH 2.88Å; R35-Y56 VanDerWaalsContact NH2-OH 3.11Å
36E97.7Very high98.4Very high144 Ų14441.6 Ų41.667%0.67322%0.22SC*.Hα-helixtrans-59.7-41.5-178.1-171.866.6-170.500111.3H32 D33 G38H32-E36 WeakPolarHBondContact O-CB 3.14Å; H32-E36 PolarHBondContact O-N 3.18Å; D33-E36 PolarHBondContact O-N 3.47Å; E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.34Å
37D98.1Very high98.4Very high92 Ų9240.8 Ų40.849%0.49221%0.213SC..THydrogen-bonded Turntrans-89.13.6-178.8-65.5-27.4000113.6D33 R35 F39 H163D33-D37 WeakPolarHBondContact O-CB 3.42Å; D33-D37 PolarHBondContact O-N 3.03Å; R35-D37 VanDerWaalsContact C-N 3.28Å; R35-D37 PolarHBondContact O-N 2.87Å; D37-F39 HydrophobicContact CB-CD2 3.77Å; D37-F39 HydrophobicContact CB-CE2 4.05Å; D37-F39 WeakPolarHBondContact O-CD2 3.35Å; D37-H163 IonicContact OD2-CD2 3.69Å; D37-H163 IonicContact OD2-CE1 2.71Å; D37-H163 PolarHBondContact OD2-CE1 2.85Å; D37-H163 IonicContact OD2-NE2 3.64Å; D37-H163 PolarHBondContact OD2-NE2 3.02Å
38G97.8Very high98.3Very high64 Ų6439.9 Ų39.966%0.6621%0.209SC*.THydrogen-bonded Turntrans77.419.9174.400000115.7L34 R35 E36L34-G38 PolarHBondContact O-N 3.13Å; R35-G38 PolarHBondContact O-N 3Å; E36-G38 VanDerWaalsContact C-N 3.33Å; E36-G38 PolarHBondContact O-N 3.34Å
39F98.2Very high98.1Very high80 Ų8046.9 Ų46.935%0.35125%0.246SC..  trans-98.85177-67.4-77000114.1L34 D37 T41 S60 P61 H161L34-F39 HydrophobicContact CD2-CB 3.72Å; L34-F39 CarbonylContact O-C 3.49Å; L34-F39 WeakPolarHBondContact O-CA 3.17Å; L34-F39 PolarHBondContact O-N 2.6Å; D37-F39 HydrophobicContact CB-CD2 3.77Å; D37-F39 HydrophobicContact CB-CE2 4.05Å; D37-F39 WeakPolarHBondContact O-CD2 3.35Å; F39-T41 PolarHBondContact O-N 3.15Å; F39-S60 WeakPolarHBondContact O-CA 3.38Å; F39-S60 WeakPolarHBondContact O-CB 3.33Å; F39-P61 WeakPolarHBondContact O-CD 3.33Å; F39-H161 AromaticContact CD1-CD2 3.58Å; F39-H161 AromaticContact CD1-NE2 3.98Å; F39-H161 AromaticContact CD2-CD2 3.86Å; F39-H161 AromaticContact CD2-CE1 3.71Å; F39-H161 AromaticContact CD2-NE2 3.48Å; F39-H161 WeakPolarHBondContact CD2-NE2 3.45Å; F39-H161 AromaticContact CE1-CD2 3.59Å; F39-H161 AromaticContact CE1-NE2 3.74Å; F39-H161 AromaticContact CE2-CD2 3.87Å; F39-H161 AromaticContact CE2-CE1 3.76Å; F39-H161 AromaticContact CE2-NE2 3.21Å; F39-H161 WeakPolarHBondContact CE2-NE2 3.29Å; F39-H161 AromaticContact CG-CD2 3.71Å; F39-H161 AromaticContact CG-NE2 3.85Å; F39-H161 AromaticContact CZ-CD2 3.73Å; F39-H161 AromaticContact CZ-NE2 3.35Å; F39-H161 WeakPolarHBondContact CZ-NE2 3.49Å
40L98.5Very high97.9Very high31 Ų3150.7 Ų50.716%0.16227%0.266CS..  trans-84.398.9170.2-16876.5000109.8E6 L34 R35 A58E6-L40 WeakPolarHBondContact OE1-CD2 3.41Å; L34-L40 HydrophobicContact CB-CB 4.39Å; L34-L40 PolarHBondContact O-N 2.83Å; L34-L40 VanDerWaalsContact O-N 3.08Å; R35-L40 HydrophobicContact CB-CB 4.33Å; R35-L40 HydrophobicContact CB-CD2 4.18Å; R35-L40 HydrophobicContact CG-CD2 4.34Å; L40-A58 HydrophobicContact CD1-CB 3.73Å
41T98.3Very high97.7Very high47 Ų4752 Ų5229%0.28828%0.283SS..  trans-68-48.8-178.2-60.30000112.3F39 F59 P61 V72 Y105F39-T41 PolarHBondContact O-N 3.15Å; T41-F59 WeakPolarHBondContact CB-O 3.44Å; T41-F59 PolarHBondContact N-O 3.43Å; T41-P61 VanDerWaalsContact OG1-CD 3.25Å; T41-P61 WeakPolarHBondContact OG1-CD 3.14Å; T41-V72 HydrophobicContact CG2-CG1 4.14Å; T41-Y105 HydrophobicContact CG2-CE1 4.21Å; T41-Y105 HydrophobicContact CG2-CE2 3.92Å; T41-Y105 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y105 WeakPolarHBondContact CG2-OH 3.28Å
42L98.6Very high97.6Very high9 Ų956.3 Ų56.35%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-149.7134.2-178.8178.861.8000108.9V5 L44 A58 F59 L100 F103V5-L42 HydrophobicContact CG1-CD1 4.12Å; V5-L42 HydrophobicContact CG2-CD1 4.13Å; L42-L44 HydrophobicContact CD1-CD2 4.14Å; L42-L44 HydrophobicContact CG-CD2 4.48Å; L42-A58 CarbonylContact O-C 3.51Å; L42-A58 WeakPolarHBondContact O-CA 3.41Å; L42-F59 HydrophobicContact CB-CB 4.3Å; L42-F59 HydrophobicContact CB-CD2 3.99Å; L42-F59 HydrophobicContact CD2-CD2 4.08Å; L42-F59 HydrophobicContact CD2-CE2 4.29Å; L42-F59 HydrophobicContact CG-CD2 4.09Å; L42-F59 PolarHBondContact N-O 2.83Å; L42-F59 PolarHBondContact O-N 2.93Å; L42-L100 HydrophobicContact CB-CD2 4.38Å; L42-L100 HydrophobicContact CD2-CD2 4.06Å; L42-L100 HydrophobicContact CD2-CG 3.88Å; L42-F103 HydrophobicContact CD1-CE2 4.34Å; L42-F103 HydrophobicContact CD2-CE2 4.48Å
43G98.8Very high97.6Very high2 Ų251.8 Ų51.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-124.2135164.900000109.2V5 E6 V57V5-G43 CarbonylContact C-O 3.57Å; V5-G43 WeakPolarHBondContact CA-O 3.27Å; E6-G43 PolarHBondContact N-O 3.16Å; G43-V57 CarbonylContact C-O 3.54Å; G43-V57 WeakPolarHBondContact CA-O 3.38Å
44L98.8Very high97.6Very high4 Ų449.7 Ų49.72%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-113.3133.7168.3-60.8-174.6000109.6I3 R4 V5 L42 Y56 V57 L92 E95 G96I3-L44 HydrophobicContact CG2-CD1 4.44Å; R4-L44 WeakPolarHBondContact O-CA 3.45Å; V5-L44 HydrophobicContact CB-CD2 4.39Å; V5-L44 HydrophobicContact CG2-CD2 3.88Å; L42-L44 HydrophobicContact CD1-CD2 4.14Å; L42-L44 HydrophobicContact CG-CD2 4.48Å; L44-Y56 WeakPolarHBondContact O-CA 3.46Å; L44-Y56 VanDerWaalsContact O-CD2 3.23Å; L44-Y56 WeakPolarHBondContact O-CD2 3.39Å; L44-V57 HydrophobicContact CB-CG1 3.85Å; L44-V57 HydrophobicContact CD1-CG1 4.49Å; L44-V57 HydrophobicContact CG-CG1 4.39Å; L44-V57 PolarHBondContact N-O 3.36Å; L44-V57 PolarHBondContact O-N 3.03Å; L44-L92 HydrophobicContact CB-CD2 4.05Å; L44-E95 HydrophobicContact CD1-CB 3.79Å; L44-G96 VanDerWaalsContact CD1-CA 3.46Å; L44-G96 VanDerWaalsContact CD1-N 3.27Å
45V98.8Very high97.7Very high0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-107.8143.3173.1-68.80000110.1I3 R4 E6 D10 I14 T47 V53 G55 Y56I3-V45 VanDerWaalsContact CA-O 3.32Å; I3-V45 WeakPolarHBondContact CA-O 3.32Å; R4-V45 HydrophobicContact CG-CG2 3.92Å; R4-V45 PolarHBondContact N-O 2.9Å; R4-V45 PolarHBondContact O-N 3.27Å; E6-V45 HydrophobicContact CB-CG1 4.13Å; D10-V45 HydrophobicContact CB-CG1 4.14Å; I14-V45 HydrophobicContact CD1-CG1 3.77Å; I14-V45 HydrophobicContact CG1-CG1 3.82Å; V45-T47 HydrophobicContact CB-CG2 4.41Å; V45-T47 HydrophobicContact CG2-CG2 4.11Å; V45-V53 HydrophobicContact CB-CG1 4.33Å; V45-V53 HydrophobicContact CG1-CG1 4.07Å; V45-V53 HydrophobicContact CG1-CG2 4.32Å; V45-G55 WeakPolarHBondContact CA-O 3.28Å; V45-Y56 HydrophobicContact CG1-CD2 3.68Å; V45-Y56 HydrophobicContact CG1-CE2 4.1Å
46A98.7Very high97.7Very high0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-101123.2158.800000108.2L2 I3 I54 G55 L88 L92L2-A46 CarbonylContact O-C 3.6Å; L2-A46 VanDerWaalsContact O-CA 3.32Å; L2-A46 WeakPolarHBondContact O-CA 3.1Å; I3-A46 HydrophobicContact CG1-CB 4.1Å; A46-I54 HydrophobicContact CB-CG1 4.31Å; A46-I54 VanDerWaalsContact O-CG1 3.27Å; A46-I54 WeakPolarHBondContact O-CG1 3.4Å; A46-I54 PolarHBondContact O-N 3.45Å; A46-G55 PolarHBondContact N-O 3.45Å; A46-G55 PolarHBondContact O-N 2.99Å; A46-L88 HydrophobicContact CB-CD2 3.92Å; A46-L92 HydrophobicContact CB-CD1 4.37Å; A46-L92 HydrophobicContact CB-CD2 4.24Å
47T98.3Very high97.7Very high6 Ų639.8 Ų39.84%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-114.6148.1176.767.20000112M1 L2 V45 Q52 V53M1-T47 CarbonylContact C-O 3.58Å; M1-T47 WeakPolarHBondContact CA-O 3.5Å; L2-T47 PolarHBondContact N-O 2.95Å; L2-T47 PolarHBondContact O-N 3.35Å; V45-T47 HydrophobicContact CB-CG2 4.41Å; V45-T47 HydrophobicContact CG2-CG2 4.11Å; T47-Q52 CarbonylContact C-O 3.51Å; T47-Q52 WeakPolarHBondContact CA-O 3.42Å; T47-V53 HydrophobicContact CG2-CG2 4.3Å
48D96.4Very high97.8Very high28 Ų2835.4 Ų35.415%0.1520%0.204CC..  trans-76.7-173.316770.212000111.9E50 G51 Q52 I54D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 PolarHBondContact OD1-N 2.88Å; D48-G51 PolarHBondContact O-N 3.37Å; D48-G51 PolarHBondContact OD1-N 3.23Å; D48-Q52 PolarHBondContact N-O 3.36Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.3Å; D48-Q52 PolarHBondContact OD1-N 3.37Å; D48-Q52 WeakPolarHBondContact OD2-CB 3.25Å; D48-I54 HydrophobicContact CB-CD1 4.36Å
49D93.8Very high97.8Very high149 Ų14932.3 Ų32.380%0.79717%0.173SC*.THydrogen-bonded Turntrans-73.2-15.2-176.9-59.8-22.4000112.9M1M1-D49 PolarHBondContact N-OD1 3.34Å
50E94.6Very high97.9Very high183 Ų18328.5 Ų28.586%0.85516%0.156SC*.THydrogen-bonded Turntrans-92.3-4.2173.8-61.1-174-178.500112D48D48-E50 PolarHBondContact O-N 2.85Å; D48-E50 WeakPolarHBondContact OD1-CA 3.47Å; D48-E50 PolarHBondContact OD1-N 2.88Å
51G94Very high97.9Very high42 Ų4229.4 Ų29.443%0.43316%0.163SC..  trans85.88.5-178.200000113.9D48 V53D48-G51 PolarHBondContact O-N 3.37Å; D48-G51 PolarHBondContact OD1-N 3.23Å; G51-V53 PolarHBondContact O-N 2.84Å
52Q97.2Very high97.9Very high93 Ų9327.2 Ų27.244%0.43515%0.15SC..  trans-68.8131.2175.8-175.9-178.6-6.900110.1T47 D48 I54T47-Q52 CarbonylContact C-O 3.51Å; T47-Q52 WeakPolarHBondContact CA-O 3.42Å; D48-Q52 PolarHBondContact N-O 3.36Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.3Å; D48-Q52 PolarHBondContact OD1-N 3.37Å; D48-Q52 WeakPolarHBondContact OD2-CB 3.25Å; Q52-I54 HydrophobicContact CG-CG2 4.39Å; Q52-I54 PolarHBondContact O-N 3.01Å
53V98.6Very high97.9Very high4 Ų429.9 Ų29.92%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-71.4114.5173.5-177.20000109.9D10 I14 L17 R20 V45 T47 G51D10-V53 HydrophobicContact CB-CG2 4.19Å; I14-V53 HydrophobicContact CG1-CG1 4.12Å; I14-V53 HydrophobicContact CG1-CG2 4.47Å; L17-V53 HydrophobicContact CD2-CG1 3.97Å; R20-V53 PolarHBondContact NH2-O 3.39Å; R20-V53 VanDerWaalsContact NH2-O 3.16Å; V45-V53 HydrophobicContact CB-CG1 4.33Å; V45-V53 HydrophobicContact CG1-CG1 4.07Å; V45-V53 HydrophobicContact CG1-CG2 4.32Å; T47-V53 HydrophobicContact CG2-CG2 4.3Å; G51-V53 PolarHBondContact O-N 2.84Å
54I98.5Very high97.9Very high1 Ų130 Ų301%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-116.5-6.9-178.558.9165.5000113M1 A46 D48 Q52 D80 Y83 L88M1-I54 HydrophobicContact CG-CD1 4.37Å; M1-I54 HydrophobicContact SD-CD1 4.4Å; A46-I54 HydrophobicContact CB-CG1 4.31Å; A46-I54 VanDerWaalsContact O-CG1 3.27Å; A46-I54 WeakPolarHBondContact O-CG1 3.4Å; A46-I54 PolarHBondContact O-N 3.45Å; D48-I54 HydrophobicContact CB-CD1 4.36Å; Q52-I54 HydrophobicContact CG-CG2 4.39Å; Q52-I54 PolarHBondContact O-N 3.01Å; I54-D80 HydrophobicContact CB-CB 4.3Å; I54-D80 WeakPolarHBondContact O-CB 3.4Å; I54-D80 PolarHBondContact O-N 3.27Å; I54-Y83 HydrophobicContact CB-CD2 4Å; I54-Y83 HydrophobicContact CB-CE2 4.09Å; I54-Y83 HydrophobicContact CB-CG 4.45Å; I54-Y83 HydrophobicContact CD1-CD1 3.82Å; I54-Y83 HydrophobicContact CD1-CD2 4.31Å; I54-Y83 HydrophobicContact CD1-CE1 3.91Å; I54-Y83 HydrophobicContact CD1-CE2 4.4Å; I54-Y83 HydrophobicContact CD1-CG 4.02Å; I54-Y83 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CG2-CE2 3.61Å; I54-L88 HydrophobicContact CD1-CD1 4.14Å
55G98.8Very high97.8Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-155.6153.4171.800000111.2V45 A46 A78V45-G55 WeakPolarHBondContact CA-O 3.28Å; A46-G55 PolarHBondContact N-O 3.45Å; A46-G55 PolarHBondContact O-N 2.99Å; G55-A78 CarbonylContact C-O 3.56Å; G55-A78 VanDerWaalsContact CA-O 3.23Å; G55-A78 WeakPolarHBondContact CA-O 3.49Å
56Y98.9Very high97.7Very high0 Ų037.9 Ų37.90%021%0.214CC..EExtended strand (participates in β ladder)trans-152.9142.4-177.6-173.5-114.4000111.9E6 I14 L18 V31 R35 L44 V45 A58 P76 L77 A78E6-Y56 HydrophobicContact CB-CE2 4.49Å; E6-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E6-Y56 VanDerWaalsContact OE2-CZ 3.24Å; E6-Y56 PolarHBondContact OE2-OH 3.28Å; I14-Y56 HydrophobicContact CD1-CD2 3.92Å; I14-Y56 HydrophobicContact CD1-CE2 3.47Å; I14-Y56 VanDerWaalsContact CD1-CE2 3.47Å; I14-Y56 HydrophobicContact CG1-CD2 3.79Å; I14-Y56 HydrophobicContact CG1-CE2 3.86Å; I14-Y56 HydrophobicContact CG1-CG 4.32Å; I14-Y56 HydrophobicContact CG2-CD1 3.79Å; I14-Y56 HydrophobicContact CG2-CD2 4.11Å; I14-Y56 HydrophobicContact CG2-CE1 3.68Å; I14-Y56 HydrophobicContact CG2-CE2 4.02Å; I14-Y56 HydrophobicContact CG2-CG 3.97Å; L18-Y56 HydrophobicContact CD1-CD1 4.35Å; L18-Y56 HydrophobicContact CD1-CE1 4.46Å; L18-Y56 HydrophobicContact CD2-CD1 4.22Å; V31-Y56 HydrophobicContact CG1-CE1 3.92Å; V31-Y56 HydrophobicContact CG2-CE1 3.99Å; R35-Y56 PolarHBondContact NH2-OH 2.88Å; R35-Y56 VanDerWaalsContact NH2-OH 3.11Å; L44-Y56 WeakPolarHBondContact O-CA 3.46Å; L44-Y56 VanDerWaalsContact O-CD2 3.23Å; L44-Y56 WeakPolarHBondContact O-CD2 3.39Å; V45-Y56 HydrophobicContact CG1-CD2 3.68Å; V45-Y56 HydrophobicContact CG1-CE2 4.1Å; Y56-A58 HydrophobicContact CE1-CB 3.65Å; Y56-P76 HydrophobicContact CD1-CG 4.35Å; Y56-P76 HydrophobicContact CE1-CG 4.49Å; Y56-L77 WeakPolarHBondContact O-CA 3.41Å; Y56-A78 PolarHBondContact N-O 2.86Å; Y56-A78 PolarHBondContact O-N 3Å
57V98.9Very high97.7Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-139.2140.3165.263.40000109.3G43 L44 F59 M74 P76 L77 L92G43-V57 CarbonylContact C-O 3.54Å; G43-V57 WeakPolarHBondContact CA-O 3.38Å; L44-V57 HydrophobicContact CB-CG1 3.85Å; L44-V57 HydrophobicContact CD1-CG1 4.49Å; L44-V57 HydrophobicContact CG-CG1 4.39Å; L44-V57 PolarHBondContact N-O 3.36Å; L44-V57 PolarHBondContact O-N 3.03Å; V57-F59 HydrophobicContact CG1-CE2 3.95Å; V57-F59 HydrophobicContact CG1-CZ 4.33Å; V57-F59 HydrophobicContact CG2-CE1 4.47Å; V57-F59 HydrophobicContact CG2-CE2 3.94Å; V57-F59 HydrophobicContact CG2-CZ 3.8Å; V57-M74 HydrophobicContact CG2-CG 3.58Å; V57-M74 HydrophobicContact CG2-SD 3.79Å; V57-P76 WeakPolarHBondContact CA-O 3.28Å; V57-L77 HydrophobicContact CB-CD1 3.87Å; V57-L77 HydrophobicContact CG2-CD1 4.07Å; V57-L92 HydrophobicContact CB-CB 4.38Å; V57-L92 HydrophobicContact CG1-CB 3.91Å; V57-L92 HydrophobicContact CG1-CD2 4.26Å
58A98.9Very high97.7Very high0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-127.1153.2178.800000112.2L40 L42 Y56 M74 A75 P76L40-A58 HydrophobicContact CD1-CB 3.73Å; L42-A58 CarbonylContact O-C 3.51Å; L42-A58 WeakPolarHBondContact O-CA 3.41Å; Y56-A58 HydrophobicContact CE1-CB 3.65Å; A58-M74 CarbonylContact O-C 3.59Å; A58-M74 WeakPolarHBondContact O-CA 3.32Å; A58-A75 WeakPolarHBondContact CB-O 3.38Å; A58-A75 PolarHBondContact O-N 3.19Å; A58-P76 PolarHBondContact N-O 2.87Å
59F98.9Very high97.7Very high0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-134.3136.4179.2-53.6-90.5000109.8T41 L42 V57 V72 G73 M74 L100 V108T41-F59 WeakPolarHBondContact CB-O 3.44Å; T41-F59 PolarHBondContact N-O 3.43Å; L42-F59 HydrophobicContact CB-CB 4.3Å; L42-F59 HydrophobicContact CB-CD2 3.99Å; L42-F59 HydrophobicContact CD2-CD2 4.08Å; L42-F59 HydrophobicContact CD2-CE2 4.29Å; L42-F59 HydrophobicContact CG-CD2 4.09Å; L42-F59 PolarHBondContact N-O 2.83Å; L42-F59 PolarHBondContact O-N 2.93Å; V57-F59 HydrophobicContact CG1-CE2 3.95Å; V57-F59 HydrophobicContact CG1-CZ 4.33Å; V57-F59 HydrophobicContact CG2-CE1 4.47Å; V57-F59 HydrophobicContact CG2-CE2 3.94Å; V57-F59 HydrophobicContact CG2-CZ 3.8Å; F59-V72 HydrophobicContact CB-CB 4.22Å; F59-V72 HydrophobicContact CB-CG2 4.12Å; F59-V72 HydrophobicContact CD1-CG2 4.11Å; F59-V72 HydrophobicContact CG-CG2 4.49Å; F59-G73 VanDerWaalsContact CA-O 3.29Å; F59-G73 WeakPolarHBondContact CA-O 3.09Å; F59-M74 HydrophobicContact CD1-CB 3.7Å; F59-M74 HydrophobicContact CD1-CG 3.94Å; F59-M74 HydrophobicContact CE1-CB 3.58Å; F59-M74 HydrophobicContact CE1-CG 3.47Å; F59-M74 VanDerWaalsContact CE1-CG 3.47Å; F59-M74 HydrophobicContact CE1-SD 3.87Å; F59-M74 HydrophobicContact CZ-CG 4.03Å; F59-M74 HydrophobicContact CZ-SD 4.16Å; F59-L100 HydrophobicContact CB-CD1 4.36Å; F59-L100 HydrophobicContact CD1-CD1 3.49Å; F59-L100 VanDerWaalsContact CD1-CD1 3.49Å; F59-L100 HydrophobicContact CD2-CD1 4.12Å; F59-L100 HydrophobicContact CE1-CD1 3.64Å; F59-L100 HydrophobicContact CE2-CD1 4.27Å; F59-L100 HydrophobicContact CG-CD1 3.74Å; F59-L100 HydrophobicContact CZ-CD1 4.04Å; F59-V108 HydrophobicContact CD1-CG1 4.1Å; F59-V108 HydrophobicContact CE1-CG1 4Å
60S98.8Very high97.9Very high0 Ų047 Ų470%026%0.255CS..EExtended strand (participates in β ladder)trans-135.7157177.859.20000110.7F39 V72 G73 F164F39-S60 WeakPolarHBondContact O-CA 3.38Å; F39-S60 WeakPolarHBondContact O-CB 3.33Å; S60-V72 CarbonylContact O-C 3.52Å; S60-V72 VanDerWaalsContact O-CA 3.24Å; S60-V72 WeakPolarHBondContact O-CA 3.35Å; S60-V72 WeakPolarHBondContact O-CB 3.35Å; S60-G73 PolarHBondContact N-O 2.9Å; S60-G73 VanDerWaalsContact N-O 3.08Å; S60-G73 PolarHBondContact O-N 3.5Å; S60-F164 VanDerWaalsContact OG-CE2 3.27Å; S60-F164 WeakPolarHBondContact OG-CE2 3.49Å; S60-F164 WeakPolarHBondContact OG-CZ 3.39Å
61P98.6Very high98.1Very high49 Ų4938.4 Ų38.432%0.31822%0.215SC..EExtended strand (participates in β ladder)trans-59.5147.8-178.1-21.833.9000112.8F39 T41F39-P61 WeakPolarHBondContact O-CD 3.33Å; T41-P61 VanDerWaalsContact OG1-CD 3.25Å; T41-P61 WeakPolarHBondContact OG1-CD 3.14Å
62V98.8Very high98.3Very high2 Ų236.4 Ų36.41%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-134.9147165.7-58.20000109.9W71 V109 V158 E159 Y160V62-W71 HydrophobicContact CG2-CB 3.52Å; V62-W71 PolarHBondContact N-O 3.45Å; V62-W71 VanDerWaalsContact N-O 3.17Å; V62-V109 HydrophobicContact CG1-CG2 4.09Å; V62-V109 HydrophobicContact CG2-CG2 3.9Å; V62-V158 HydrophobicContact CB-CG1 3.77Å; V62-V158 HydrophobicContact CG1-CG1 4.35Å; V62-V158 HydrophobicContact CG2-CG1 3.71Å; V62-E159 CarbonylContact C-O 3.5Å; V62-E159 WeakPolarHBondContact CA-O 3.35Å; V62-E159 WeakPolarHBondContact CB-O 3.35Å; V62-Y160 HydrophobicContact CG1-CD1 3.86Å; V62-Y160 HydrophobicContact CG1-CD2 3.93Å; V62-Y160 HydrophobicContact CG1-CE1 4.06Å; V62-Y160 HydrophobicContact CG1-CE2 4.09Å; V62-Y160 HydrophobicContact CG1-CG 3.81Å
63D98.5Very high98.4Very high64 Ų6432 Ų3234%0.34217%0.173SC..EExtended strand (participates in β ladder)trans-104.1149.8173.7-64.9-37.5000110.4E67 V158 E159D63-E67 WeakPolarHBondContact CA-O 3.23Å; D63-V158 CarbonylContact O-C 3.6Å; D63-V158 VanDerWaalsContact O-CA 3.27Å; D63-V158 WeakPolarHBondContact O-CA 3.16Å; D63-E159 PolarHBondContact N-O 3.17Å; D63-E159 PolarHBondContact O-N 3.16Å
64V98.5Very high98.4Very high4 Ų431.9 Ų31.92%0.02417%0.173CC..EExtended strand (participates in β ladder)trans-114.4118.1172.6-171.10000108.7G66 E67 L69 W71 L130 V154 L157 V158V64-G66 PolarHBondContact O-N 3.42Å; V64-E67 PolarHBondContact N-O 2.87Å; V64-E67 WeakPolarHBondContact O-CB 3.49Å; V64-E67 PolarHBondContact O-N 3.3Å; V64-L69 HydrophobicContact CB-CD1 3.88Å; V64-L69 HydrophobicContact CB-CG 4.46Å; V64-L69 HydrophobicContact CG2-CD1 4.12Å; V64-W71 HydrophobicContact CG2-CD2 3.97Å; V64-W71 HydrophobicContact CG2-CE3 3.75Å; V64-W71 HydrophobicContact CG2-CZ3 4.06Å; V64-L130 HydrophobicContact CG1-CD2 3.99Å; V64-V154 HydrophobicContact CB-CG1 4.28Å; V64-V154 HydrophobicContact CG1-CG1 3.78Å; V64-V154 HydrophobicContact CG2-CG1 4.3Å; V64-L157 WeakPolarHBondContact CA-O 3.26Å; V64-V158 HydrophobicContact CG2-CG2 4.25Å
65Q97.5Very high98.4Very high124 Ų12433 Ų3358%0.57918%0.182SC*.THydrogen-bonded Turntrans55.331.3-172.9-60.9-88.619.900112.9E67 T155 L157Q65-E67 VanDerWaalsContact C-N 3.28Å; Q65-E67 PolarHBondContact O-N 2.89Å; Q65-T155 VanDerWaalsContact CG-O 3.29Å; Q65-T155 WeakPolarHBondContact CG-O 3.47Å; Q65-T155 PolarHBondContact NE2-O 3.09Å; Q65-L157 PolarHBondContact N-O 3.27Å
66G97.6Very high98.4Very high46 Ų4633.3 Ų33.347%0.47418%0.184SC..THydrogen-bonded Turntrans76.58.7-176.700000115V64V64-G66 PolarHBondContact O-N 3.42Å
67E97.9Very high98.4Very high129 Ų12934.4 Ų34.460%0.60319%0.19SC*.EExtended strand (participates in β ladder)trans-105.9135.8176.1-62.1-73.1169.600110.8D63 V64 Q65 L69D63-E67 WeakPolarHBondContact CA-O 3.23Å; V64-E67 PolarHBondContact N-O 2.87Å; V64-E67 WeakPolarHBondContact O-CB 3.49Å; V64-E67 PolarHBondContact O-N 3.3Å; Q65-E67 VanDerWaalsContact C-N 3.28Å; Q65-E67 PolarHBondContact O-N 2.89Å; E67-L69 HydrophobicContact CB-CD2 4.24Å; E67-L69 PolarHBondContact O-N 2.89Å
68D97.5Very high98.3Very high97 Ų9734.7 Ų34.752%0.51919%0.192SC..EExtended strand (participates in β ladder)trans-79.1103.7172.31776.1000109.7Q70D68-Q70 WeakPolarHBondContact OD1-CA 3.37Å; D68-Q70 PolarHBondContact OD1-N 3.11Å; D68-Q70 PolarHBondContact OD1-NE2 2.77Å; D68-Q70 PolarHBondContact OD2-NE2 3.06Å
69L97.5Very high98.3Very high66 Ų6635.3 Ų35.335%0.34620%0.196SC..EExtended strand (participates in β ladder)trans-98.917.5177.8-57.7-174.9000113V64 E67 W71 V154V64-L69 HydrophobicContact CB-CD1 3.88Å; V64-L69 HydrophobicContact CB-CG 4.46Å; V64-L69 HydrophobicContact CG2-CD1 4.12Å; E67-L69 HydrophobicContact CB-CD2 4.24Å; E67-L69 PolarHBondContact O-N 2.89Å; L69-W71 HydrophobicContact CB-CG 4.44Å; L69-W71 VanDerWaalsContact O-CD1 3.23Å; L69-V154 HydrophobicContact CD1-CB 4.43Å; L69-V154 HydrophobicContact CD1-CG1 3.55Å; L69-V154 HydrophobicContact CD1-CG2 3.98Å
70Q97.7Very high98.3Very high82 Ų8236 Ų3638%0.38320%0.2SC..EExtended strand (participates in β ladder)trans57.947.7-170.8-51.7-57.9-66.800111.6D68 Y105 A106D68-Q70 WeakPolarHBondContact OD1-CA 3.37Å; D68-Q70 PolarHBondContact OD1-N 3.11Å; D68-Q70 PolarHBondContact OD1-NE2 2.77Å; D68-Q70 PolarHBondContact OD2-NE2 3.06Å; Q70-Y105 HydrophobicContact CB-CD1 4.28Å; Q70-Y105 CarbonylContact O-C 3.58Å; Q70-Y105 WeakPolarHBondContact O-CA 3.33Å; Q70-Y105 WeakPolarHBondContact O-CD1 3.44Å; Q70-A106 PolarHBondContact O-N 2.55Å
71W98.6Very high98.2Very high3 Ų343.1 Ų43.11%0.01123%0.233CC..EExtended strand (participates in β ladder)trans-106.4152174.3-75.229.6000110.2V62 V64 L69 A107 V109 L130 V143 L151 V154 V158V62-W71 HydrophobicContact CG2-CB 3.52Å; V62-W71 PolarHBondContact N-O 3.45Å; V62-W71 VanDerWaalsContact N-O 3.17Å; V64-W71 HydrophobicContact CG2-CD2 3.97Å; V64-W71 HydrophobicContact CG2-CE3 3.75Å; V64-W71 HydrophobicContact CG2-CZ3 4.06Å; L69-W71 HydrophobicContact CB-CG 4.44Å; L69-W71 VanDerWaalsContact O-CD1 3.23Å; W71-A107 WeakPolarHBondContact CA-O 3.37Å; W71-A107 HydrophobicContact CD2-CB 3.67Å; W71-A107 VanDerWaalsContact CE2-CB 3.49Å; W71-A107 HydrophobicContact CE3-CB 4.15Å; W71-A107 HydrophobicContact CG-CB 4.03Å; W71-A107 HydrophobicContact CH2-CB 4.34Å; W71-A107 HydrophobicContact CZ2-CB 3.87Å; W71-A107 HydrophobicContact CZ3-CB 4.46Å; W71-V109 HydrophobicContact CE3-CG1 3.9Å; W71-V109 HydrophobicContact CZ3-CG1 3.9Å; W71-L130 HydrophobicContact CH2-CD1 3.6Å; W71-L130 HydrophobicContact CH2-CD2 4.25Å; W71-L130 HydrophobicContact CZ3-CD1 3.83Å; W71-L130 HydrophobicContact CZ3-CD2 4.24Å; W71-V143 HydrophobicContact CH2-CG2 4.24Å; W71-V143 HydrophobicContact CZ3-CG2 4.04Å; W71-L151 HydrophobicContact CH2-CD2 3.4Å; W71-L151 VanDerWaalsContact CH2-CD2 3.4Å; W71-L151 HydrophobicContact CZ2-CD2 3.43Å; W71-L151 VanDerWaalsContact CZ2-CD2 3.43Å; W71-L151 HydrophobicContact CZ3-CD2 4.41Å; W71-V154 HydrophobicContact CH2-CG1 3.85Å; W71-V154 HydrophobicContact CZ2-CB 4.24Å; W71-V154 HydrophobicContact CZ2-CG1 3.67Å; W71-V158 HydrophobicContact CZ3-CG2 4.5Å
72V98.9Very high98.2Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-130.7152.6173.6-660000111.9T41 F59 S60 L100 Y105 A107 V108 V109T41-V72 HydrophobicContact CG2-CG1 4.14Å; F59-V72 HydrophobicContact CB-CB 4.22Å; F59-V72 HydrophobicContact CB-CG2 4.12Å; F59-V72 HydrophobicContact CD1-CG2 4.11Å; F59-V72 HydrophobicContact CG-CG2 4.49Å; S60-V72 CarbonylContact O-C 3.52Å; S60-V72 VanDerWaalsContact O-CA 3.24Å; S60-V72 WeakPolarHBondContact O-CA 3.35Å; S60-V72 WeakPolarHBondContact O-CB 3.35Å; V72-L100 HydrophobicContact CG2-CD1 3.64Å; V72-L100 HydrophobicContact CG2-CD2 4Å; V72-L100 HydrophobicContact CG2-CG 4.44Å; V72-Y105 HydrophobicContact CG1-CD1 3.64Å; V72-Y105 HydrophobicContact CG1-CE1 3.57Å; V72-Y105 HydrophobicContact CG1-CG 4.41Å; V72-A107 PolarHBondContact N-O 3.4Å; V72-A107 VanDerWaalsContact N-O 3.14Å; V72-V108 HydrophobicContact CG2-CB 4.46Å; V72-V108 HydrophobicContact CG2-CG1 4.39Å; V72-V108 HydrophobicContact CG2-CG2 3.77Å; V72-V108 CarbonylContact O-C 3.6Å; V72-V108 VanDerWaalsContact O-CA 3.27Å; V72-V108 WeakPolarHBondContact O-CA 3.32Å; V72-V109 PolarHBondContact O-N 3.26Å
73G98.8Very high98.1Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-97.2124.9170.700000110.9F59 S60 V109F59-G73 VanDerWaalsContact CA-O 3.29Å; F59-G73 WeakPolarHBondContact CA-O 3.09Å; S60-G73 PolarHBondContact N-O 2.9Å; S60-G73 VanDerWaalsContact N-O 3.08Å; S60-G73 PolarHBondContact O-N 3.5Å; G73-V109 CarbonylContact C-O 3.52Å; G73-V109 WeakPolarHBondContact CA-O 3.31Å
74M98.9Very high97.9Very high2 Ų255.2 Ų55.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-85.7110.8174-175.5-178.269.200110.6V57 A58 F59 V93 V108 V109 T110 Y117 F122V57-M74 HydrophobicContact CG2-CG 3.58Å; V57-M74 HydrophobicContact CG2-SD 3.79Å; A58-M74 CarbonylContact O-C 3.59Å; A58-M74 WeakPolarHBondContact O-CA 3.32Å; F59-M74 HydrophobicContact CD1-CB 3.7Å; F59-M74 HydrophobicContact CD1-CG 3.94Å; F59-M74 HydrophobicContact CE1-CB 3.58Å; F59-M74 HydrophobicContact CE1-CG 3.47Å; F59-M74 VanDerWaalsContact CE1-CG 3.47Å; F59-M74 HydrophobicContact CE1-SD 3.87Å; F59-M74 HydrophobicContact CZ-CG 4.03Å; F59-M74 HydrophobicContact CZ-SD 4.16Å; M74-V93 HydrophobicContact CE-CG2 4.36Å; M74-V93 HydrophobicContact SD-CG1 4.18Å; M74-V93 HydrophobicContact SD-CG2 3.89Å; M74-V108 HydrophobicContact CB-CG1 3.71Å; M74-V109 PolarHBondContact N-O 2.94Å; M74-T110 HydrophobicContact CE-CG2 4.1Å; M74-T110 PolarHBondContact O-OG1 3.43Å; M74-Y117 HydrophobicContact CE-CD1 3.69Å; M74-Y117 HydrophobicContact CE-CE1 3.35Å; M74-F122 HydrophobicContact CE-CE2 4.17Å; M74-F122 HydrophobicContact CE-CZ 3.84Å; M74-F122 HydrophobicContact SD-CZ 4.31Å
75A98.2Very high97.7Very high24 Ų2459.2 Ų59.220%0.19832%0.315CS..EExtended strand (participates in β ladder)trans-171.8144.5170.600000111.5A58 F164A58-A75 WeakPolarHBondContact CB-O 3.38Å; A58-A75 PolarHBondContact O-N 3.19Å; A75-F164 HydrophobicContact CB-CE1 3.74Å; A75-F164 HydrophobicContact CB-CZ 4.2Å
76P98.4Very high97.6Very high8 Ų859 Ų595%0.05231%0.314CS..EExtended strand (participates in β ladder)cis-77.8172-12.232.6-36.5000112.1L18 F22 E27 V31 Y56 V57 A58L18-P76 HydrophobicContact CD1-CG 4.04Å; L18-P76 HydrophobicContact CD2-CB 4.14Å; L18-P76 HydrophobicContact CD2-CG 3.52Å; L18-P76 HydrophobicContact CG-CG 4.44Å; F22-P76 HydrophobicContact CE2-CB 4Å; F22-P76 HydrophobicContact CZ-CB 3.83Å; E27-P76 HydrophobicContact CB-CB 4.16Å; E27-P76 HydrophobicContact CB-CG 4.26Å; E27-P76 HydrophobicContact CG-CB 3.99Å; V31-P76 HydrophobicContact CG2-CG 3.68Å; Y56-P76 HydrophobicContact CD1-CG 4.35Å; Y56-P76 HydrophobicContact CE1-CG 4.49Å; V57-P76 WeakPolarHBondContact CA-O 3.28Å; A58-P76 PolarHBondContact N-O 2.87Å
77L98.6Very high97.5Very high23 Ų2358.6 Ų58.612%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-123.1120.2164.8172.964.7000108.3Y56 V57 A89 L92 V93 Y117 F120Y56-L77 WeakPolarHBondContact O-CA 3.41Å; V57-L77 HydrophobicContact CB-CD1 3.87Å; V57-L77 HydrophobicContact CG2-CD1 4.07Å; L77-A89 HydrophobicContact CD1-CB 4.48Å; L77-A89 HydrophobicContact CD2-CB 4.42Å; L77-L92 HydrophobicContact CD1-CB 4.39Å; L77-V93 HydrophobicContact CD1-CG2 3.93Å; L77-V93 HydrophobicContact CD2-CG2 3.66Å; L77-V93 HydrophobicContact CG-CG2 4.44Å; L77-Y117 HydrophobicContact CD2-CE1 4.06Å; L77-F120 HydrophobicContact CD2-CE2 4.09Å
78A98.5Very high97.4Very high6 Ų652.6 Ų52.65%0.0528%0.281CS..EExtended strand (participates in β ladder)trans-136.9142.3-177.200000112.3L17 L18 F22 G55 Y56L17-A78 HydrophobicContact CD2-CB 4.29Å; L17-A78 HydrophobicContact CG-CB 4.33Å; L18-A78 HydrophobicContact CD2-CB 3.91Å; F22-A78 HydrophobicContact CE2-CB 3.92Å; F22-A78 HydrophobicContact CZ-CB 4.37Å; G55-A78 CarbonylContact C-O 3.56Å; G55-A78 VanDerWaalsContact CA-O 3.23Å; G55-A78 WeakPolarHBondContact CA-O 3.49Å; Y56-A78 PolarHBondContact N-O 2.86Å; Y56-A78 PolarHBondContact O-N 3Å
79V98.4Very high97.4Very high12 Ų1249.3 Ų49.37%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-133.8131166.6178.30000107.4E81 R84 L88 A89 L92V79-E81 PolarHBondContact O-N 3.06Å; V79-R84 HydrophobicContact CB-CG 4.36Å; V79-R84 HydrophobicContact CG1-CG 4.24Å; V79-R84 PolarHBondContact O-NE 3.3Å; V79-L88 HydrophobicContact CG1-CB 4.02Å; V79-L88 HydrophobicContact CG1-CD1 3.95Å; V79-L88 HydrophobicContact CG2-CB 3.95Å; V79-A89 HydrophobicContact CG2-CB 3.84Å; V79-L92 HydrophobicContact CG2-CD1 4.3Å
80D98.2Very high97.4Very high14 Ų1454.3 Ų54.38%0.07528%0.282CS..  trans-53.3135.2176.4-172.6-64.7000109.8L17 R20 I54 K82 Y83 R84L17-D80 HydrophobicContact CD1-CB 3.82Å; R20-D80 IonicContact CZ-OD2 2.89Å; R20-D80 IonicContact NE-OD2 2.75Å; R20-D80 PolarHBondContact NE-OD2 3.22Å; R20-D80 IonicContact NH2-OD2 3.3Å; R20-D80 PolarHBondContact NH2-OD2 2.81Å; I54-D80 HydrophobicContact CB-CB 4.3Å; I54-D80 WeakPolarHBondContact O-CB 3.4Å; I54-D80 PolarHBondContact O-N 3.27Å; D80-K82 PolarHBondContact O-N 2.7Å; D80-K82 VanDerWaalsContact O-N 3.07Å; D80-K82 PolarHBondContact OD1-N 3.33Å; D80-K82 VanDerWaalsContact OD1-N 3.1Å; D80-Y83 HydrophobicContact CB-CD2 3.95Å; D80-Y83 PolarHBondContact O-N 2.71Å; D80-R84 PolarHBondContact O-N 2.93Å
81E97.7Very high97.4Very high151 Ų15154.6 Ų54.671%0.70628%0.284SS*.G310 helixtrans-52-37.4-172.8-170179.3179.800112.7V79 Y83 R84V79-E81 PolarHBondContact O-N 3.06Å; E81-Y83 PolarHBondContact O-N 2.9Å; E81-R84 PolarHBondContact O-N 2.87Å
82K96.8Very high97.4Very high174 Ų17454.5 Ų54.576%0.75728%0.283SS*.G310 helixtrans-64.2-21.1179.9-63177.3-177174.60113.6D80D80-K82 PolarHBondContact O-N 2.7Å; D80-K82 VanDerWaalsContact O-N 3.07Å; D80-K82 PolarHBondContact OD1-N 3.33Å; D80-K82 VanDerWaalsContact OD1-N 3.1Å
83Y96.7Very high97.4Very high63 Ų6354.5 Ų54.525%0.24728%0.283CS..G310 helixtrans-114.15-174.7-57.7-93.9000113.3I54 D80 E81I54-Y83 HydrophobicContact CB-CD2 4Å; I54-Y83 HydrophobicContact CB-CE2 4.09Å; I54-Y83 HydrophobicContact CB-CG 4.45Å; I54-Y83 HydrophobicContact CD1-CD1 3.82Å; I54-Y83 HydrophobicContact CD1-CD2 4.31Å; I54-Y83 HydrophobicContact CD1-CE1 3.91Å; I54-Y83 HydrophobicContact CD1-CE2 4.4Å; I54-Y83 HydrophobicContact CD1-CG 4.02Å; I54-Y83 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CG2-CE2 3.61Å; D80-Y83 HydrophobicContact CB-CD2 3.95Å; D80-Y83 PolarHBondContact O-N 2.71Å; E81-Y83 PolarHBondContact O-N 2.9Å
84R95.1Very high97.4Very high131 Ų13161.7 Ų61.749%0.49431%0.311SS..THydrogen-bonded Turntrans-64.5153.6175.3-68.6178.3-174.9175.2-4.2111.2V79 D80 E81 Q86V79-R84 HydrophobicContact CB-CG 4.36Å; V79-R84 HydrophobicContact CG1-CG 4.24Å; V79-R84 PolarHBondContact O-NE 3.3Å; D80-R84 PolarHBondContact O-N 2.93Å; E81-R84 PolarHBondContact O-N 2.87Å; R84-Q86 PolarHBondContact O-N 3.44Å
85G94.2Very high97.4Very high89 Ų8965.7 Ų65.792%0.91833%0.33SS*.THydrogen-bonded Turntrans78.4-2.7-179.100000115.3
86Q95Very high97.4Very high120 Ų12064.6 Ų64.656%0.56132%0.321SS*.SBendtrans-93.96.4180-55.5-176.42900113.6R84R84-Q86 PolarHBondContact O-N 3.44Å
87G95.9Very high97.4Very high37 Ų3764.8 Ų64.838%0.38132%0.321SS..SBendtrans84.50.3179.600000115.6A89 R90 Q91G87-A89 PolarHBondContact O-N 2.91Å; G87-R90 WeakPolarHBondContact O-CB 3.29Å; G87-R90 PolarHBondContact O-N 2.91Å; G87-Q91 PolarHBondContact O-N 3.32Å
88L96.9Very high97.3Very high2 Ų267.3 Ų67.31%0.0134%0.335CS..Hα-helixtrans-53.8-46-179.3-88.9176.3000114.2M1 A46 I54 V79 R90 Q91 L92M1-L88 HydrophobicContact CE-CD2 3.69Å; M1-L88 HydrophobicContact CE-CG 4.4Å; M1-L88 HydrophobicContact CG-CD2 4.41Å; M1-L88 HydrophobicContact SD-CD1 4.05Å; M1-L88 HydrophobicContact SD-CD2 3.44Å; M1-L88 WeakPolarHBondContact SD-CD2 3.5Å; M1-L88 HydrophobicContact SD-CG 3.98Å; A46-L88 HydrophobicContact CB-CD2 3.92Å; I54-L88 HydrophobicContact CD1-CD1 4.14Å; V79-L88 HydrophobicContact CG1-CB 4.02Å; V79-L88 HydrophobicContact CG1-CD1 3.95Å; V79-L88 HydrophobicContact CG2-CB 3.95Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.35Å; L88-Q91 PolarHBondContact O-N 3Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.29Å
89A97.4Very high97.3Very high28 Ų2868 Ų6823%0.23134%0.34CS..Hα-helixtrans-60.1-39.6178.200000111.5L77 V79 G87 V93 F120L77-A89 HydrophobicContact CD1-CB 4.48Å; L77-A89 HydrophobicContact CD2-CB 4.42Å; V79-A89 HydrophobicContact CG2-CB 3.84Å; G87-A89 PolarHBondContact O-N 2.91Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.88Å; A89-F120 HydrophobicContact CB-CZ 4.47Å
90R97.2Very high97.3Very high172 Ų17267.5 Ų67.565%0.64934%0.336SS*.Hα-helixtrans-64.8-43.4177.2-174.9-178.1-175.4-177.62.4111.3G87 L88 Y94 F120G87-R90 WeakPolarHBondContact O-CB 3.29Å; G87-R90 PolarHBondContact O-N 2.91Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.35Å; R90-Y94 VanDerWaalsContact O-CB 3.3Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 3.45Å; R90-F120 HydrophobicContact CB-CD1 4.3Å; R90-F120 HydrophobicContact CB-CE1 3.81Å; R90-F120 HydrophobicContact CG-CD1 4.1Å; R90-F120 HydrophobicContact CG-CE1 4.09Å
91Q97.7Very high97.3Very high88 Ų8870.5 Ų70.541%0.41135%0.352SS..Hα-helixtrans-65.1-47.2178.2-68.9177.1-34.400110.9I3 G87 L88 V93 Y94 E95I3-Q91 HydrophobicContact CD1-CB 3.48Å; I3-Q91 VanDerWaalsContact CD1-CB 3.48Å; G87-Q91 PolarHBondContact O-N 3.32Å; L88-Q91 PolarHBondContact O-N 3Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 2.89Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Q91-E95 WeakPolarHBondContact O-CB 3.27Å; Q91-E95 VanDerWaalsContact O-CG 3.25Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 2.88Å
92L98.6Very high97.3Very high0 Ų070.7 Ų70.70%035%0.353CS..Hα-helixtrans-55.7-46.8176.4-77.4165.4000112.4I3 L44 A46 V57 L77 V79 L88 G96I3-L92 HydrophobicContact CD1-CD2 4.48Å; I3-L92 HydrophobicContact CD1-CG 4.41Å; I3-L92 HydrophobicContact CG1-CD2 4.46Å; I3-L92 HydrophobicContact CG2-CD2 4.18Å; L44-L92 HydrophobicContact CB-CD2 4.05Å; A46-L92 HydrophobicContact CB-CD1 4.37Å; A46-L92 HydrophobicContact CB-CD2 4.24Å; V57-L92 HydrophobicContact CB-CB 4.38Å; V57-L92 HydrophobicContact CG1-CB 3.91Å; V57-L92 HydrophobicContact CG1-CD2 4.26Å; L77-L92 HydrophobicContact CD1-CB 4.39Å; V79-L92 HydrophobicContact CG2-CD1 4.3Å; L88-L92 WeakPolarHBondContact O-CG 3.36Å; L88-L92 PolarHBondContact O-N 3.29Å; L92-G96 PolarHBondContact O-N 2.92Å
93V98.6Very high97.3Very high1 Ų168.1 Ų68.11%0.00634%0.342CS..Hα-helixtrans-65.7-45.5178.2174.50000111.2M74 L77 A89 Q91 G96 L97 F120 F122M74-V93 HydrophobicContact CE-CG2 4.36Å; M74-V93 HydrophobicContact SD-CG1 4.18Å; M74-V93 HydrophobicContact SD-CG2 3.89Å; L77-V93 HydrophobicContact CD1-CG2 3.93Å; L77-V93 HydrophobicContact CD2-CG2 3.66Å; L77-V93 HydrophobicContact CG-CG2 4.44Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 2.88Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 2.89Å; V93-G96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 3.83Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.04Å; V93-F120 HydrophobicContact CB-CD2 4.27Å; V93-F120 HydrophobicContact CB-CG 4.32Å; V93-F120 HydrophobicContact CG1-CB 3.82Å; V93-F120 HydrophobicContact CG1-CD2 4.02Å; V93-F120 HydrophobicContact CG1-CG 3.99Å; V93-F120 HydrophobicContact CG2-CD2 3.97Å; V93-F120 HydrophobicContact CG2-CE2 4.05Å; V93-F122 HydrophobicContact CG1-CE2 4.06Å
94Y98.1Very high97.3Very high151 Ų15167.6 Ų67.659%0.59236%0.356SS*.Hα-helixtrans-63.1-50.2-179.1-175.1-91.8000112.3R90 Q91 G96 L97 D98R90-Y94 VanDerWaalsContact O-CB 3.3Å; R90-Y94 WeakPolarHBondContact O-CB 3.49Å; R90-Y94 PolarHBondContact O-N 3.45Å; Q91-Y94 PolarHBondContact O-N 2.75Å; Y94-G96 PolarHBondContact O-N 3.29Å; Y94-L97 PolarHBondContact O-N 2.72Å; Y94-D98 WeakPolarHBondContact O-CB 3.36Å; Y94-D98 PolarHBondContact O-N 3.35Å
95E98.2Very high97.4Very high86 Ų8663.8 Ų63.840%0.40234%0.342SS..Hα-helixtrans-62.6-34.2177.3-63.3-64.7147.400111.5I3 L44 Q91 S99I3-E95 HydrophobicContact CG2-CB 4.35Å; I3-E95 HydrophobicContact CG2-CG 4.31Å; L44-E95 HydrophobicContact CD1-CB 3.79Å; Q91-E95 WeakPolarHBondContact O-CB 3.27Å; Q91-E95 VanDerWaalsContact O-CG 3.25Å; Q91-E95 WeakPolarHBondContact O-CG 3.31Å; Q91-E95 PolarHBondContact O-N 2.88Å; E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-OG 2.89Å
96G98.6Very high97.6Very high0 Ų060.6 Ų60.60%031%0.307CS..Hα-helixtrans-66-48175.500000112.4L44 L92 V93 Y94 S99 L100L44-G96 VanDerWaalsContact CD1-CA 3.46Å; L44-G96 VanDerWaalsContact CD1-N 3.27Å; L92-G96 PolarHBondContact O-N 2.92Å; V93-G96 PolarHBondContact O-N 3.42Å; Y94-G96 PolarHBondContact O-N 3.29Å; G96-S99 PolarHBondContact O-N 3.16Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 WeakPolarHBondContact O-CD1 3.4Å; G96-L100 VanDerWaalsContact O-CG 3.22Å; G96-L100 WeakPolarHBondContact O-CG 3.29Å; G96-L100 PolarHBondContact O-N 3.45Å
97L98.5Very high97.8Very high13 Ų1354.9 Ų54.97%0.06828%0.28CS..Hα-helixtrans-62.6-42175.9-68.4170.3000111.6V93 Y94 L100 N101 V108 F122 H144 L146V93-L97 HydrophobicContact CG1-CD1 3.83Å; V93-L97 HydrophobicContact CG1-CG 4.3Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.33Å; V93-L97 PolarHBondContact O-N 3.04Å; Y94-L97 PolarHBondContact O-N 2.72Å; L97-L100 PolarHBondContact O-N 2.93Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.76Å; L97-V108 HydrophobicContact CD2-CB 3.79Å; L97-V108 HydrophobicContact CD2-CG1 4.27Å; L97-V108 HydrophobicContact CD2-CG2 3.48Å; L97-V108 VanDerWaalsContact CD2-CG2 3.48Å; L97-F122 HydrophobicContact CD1-CE2 4.3Å; L97-F122 HydrophobicContact CD2-CZ 4.4Å; L97-H144 HydrophobicContact CD2-CB 4.49Å; L97-L146 HydrophobicContact CB-CD2 4.04Å; L97-L146 HydrophobicContact CD2-CD2 3.83Å
98D98Very high97.9Very high76 Ų7653.1 Ų53.141%0.40626%0.262SS..Hα-helixtrans-63.8-46.5178.1-164.857000111.4Y94 L100 N101 E102Y94-D98 WeakPolarHBondContact O-CB 3.36Å; Y94-D98 PolarHBondContact O-N 3.35Å; D98-L100 PolarHBondContact O-N 3.11Å; D98-N101 WeakPolarHBondContact O-CB 3.18Å; D98-N101 PolarHBondContact O-N 3.35Å; D98-E102 PolarHBondContact O-N 3.21Å
99S98.1Very high98Very high21 Ų2153 Ų5315%0.14726%0.262CS..Hα-helixtrans-60.7-44176-59.40000112E95 G96 N101 E102 F103E95-S99 VanDerWaalsContact O-CB 3.32Å; E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.45Å; E95-S99 PolarHBondContact O-OG 2.89Å; G96-S99 PolarHBondContact O-N 3.16Å; S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact O-N 2.79Å; S99-E102 PolarHBondContact O-N 3.2Å; S99-F103 VanDerWaalsContact O-CD2 3.26Å; S99-F103 WeakPolarHBondContact O-CD2 3.25Å; S99-F103 WeakPolarHBondContact O-CG 3.39Å; S99-F103 PolarHBondContact O-N 2.83Å
100L98.5Very high98.1Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-65-38.5178.1-73.5165.9000112L42 F59 V72 G96 L97 D98 F103 G104 Y105 V108 L146L42-L100 HydrophobicContact CB-CD2 4.38Å; L42-L100 HydrophobicContact CD2-CD2 4.06Å; L42-L100 HydrophobicContact CD2-CG 3.88Å; F59-L100 HydrophobicContact CB-CD1 4.36Å; F59-L100 HydrophobicContact CD1-CD1 3.49Å; F59-L100 VanDerWaalsContact CD1-CD1 3.49Å; F59-L100 HydrophobicContact CD2-CD1 4.12Å; F59-L100 HydrophobicContact CE1-CD1 3.64Å; F59-L100 HydrophobicContact CE2-CD1 4.27Å; F59-L100 HydrophobicContact CG-CD1 3.74Å; F59-L100 HydrophobicContact CZ-CD1 4.04Å; V72-L100 HydrophobicContact CG2-CD1 3.64Å; V72-L100 HydrophobicContact CG2-CD2 4Å; V72-L100 HydrophobicContact CG2-CG 4.44Å; G96-L100 WeakPolarHBondContact O-CB 3.36Å; G96-L100 WeakPolarHBondContact O-CD1 3.4Å; G96-L100 VanDerWaalsContact O-CG 3.22Å; G96-L100 WeakPolarHBondContact O-CG 3.29Å; G96-L100 PolarHBondContact O-N 3.45Å; L97-L100 PolarHBondContact O-N 2.93Å; D98-L100 PolarHBondContact O-N 3.11Å; L100-F103 CarbonylContact O-C 3.52Å; L100-F103 PolarHBondContact O-N 2.71Å; L100-G104 PolarHBondContact O-N 2.96Å; L100-G104 VanDerWaalsContact O-N 3.16Å; L100-Y105 HydrophobicContact CB-CD2 4.25Å; L100-Y105 HydrophobicContact CD2-CD2 3.5Å; L100-Y105 HydrophobicContact CD2-CE2 3.88Å; L100-Y105 HydrophobicContact CD2-CG 3.98Å; L100-Y105 HydrophobicContact CG-CD2 4.49Å; L100-Y105 WeakPolarHBondContact O-CB 3.27Å; L100-Y105 PolarHBondContact O-N 3.48Å; L100-V108 HydrophobicContact CD1-CG2 3.74Å; L100-L146 HydrophobicContact CB-CD1 3.73Å
101N97.6Very high98.1Very high77 Ų7746.6 Ų46.641%0.41224%0.236SC..Hα-helixtrans-64-42.4174-177.450.2000111.2L97 D98 S99 F103 G104 L146L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.76Å; D98-N101 WeakPolarHBondContact O-CB 3.18Å; D98-N101 PolarHBondContact O-N 3.35Å; S99-N101 VanDerWaalsContact C-N 3.34Å; S99-N101 PolarHBondContact O-N 2.79Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 2.89Å; N101-G104 PolarHBondContact O-N 3.08Å; N101-L146 HydrophobicContact CB-CB 4.26Å; N101-L146 HydrophobicContact CB-CD1 4.46Å; N101-L146 HydrophobicContact CB-CD2 4.37Å; N101-L146 PolarHBondContact OD1-O 2.82Å
102E97.4Very high98.1Very high156 Ų15643.5 Ų43.573%0.72923%0.228SC*.Hα-helixtrans-61.6-35.5174.3-171.4177.2-177.300112.2D98 S99 G104D98-E102 PolarHBondContact O-N 3.21Å; S99-E102 PolarHBondContact O-N 3.2Å; E102-G104 PolarHBondContact O-N 2.79Å
103F96.6Very high98Very high120 Ų12048.3 Ų48.353%0.52625%0.253SS..THydrogen-bonded Turntrans-78.4-3.5175.4-58.2-24000114.1L42 S99 L100 N101 Y105L42-F103 HydrophobicContact CD1-CE2 4.34Å; L42-F103 HydrophobicContact CD2-CE2 4.48Å; S99-F103 VanDerWaalsContact O-CD2 3.26Å; S99-F103 WeakPolarHBondContact O-CD2 3.25Å; S99-F103 WeakPolarHBondContact O-CG 3.39Å; S99-F103 PolarHBondContact O-N 2.83Å; L100-F103 CarbonylContact O-C 3.52Å; L100-F103 PolarHBondContact O-N 2.71Å; N101-F103 VanDerWaalsContact C-N 3.27Å; N101-F103 PolarHBondContact O-N 2.89Å; F103-Y105 HydrophobicContact CB-CD2 3.94Å; F103-Y105 HydrophobicContact CB-CE2 4.01Å
104G96.9Very high97.9Very high51 Ų5150.2 Ų50.253%0.52627%0.266SS..THydrogen-bonded Turntrans8617175.400000115.3L100 N101 E102L100-G104 PolarHBondContact O-N 2.96Å; L100-G104 VanDerWaalsContact O-N 3.16Å; N101-G104 PolarHBondContact O-N 3.08Å; E102-G104 PolarHBondContact O-N 2.79Å
105Y98.3Very high97.8Very high51 Ų5145.5 Ų45.520%0.226%0.258CS..  trans-70.3145.8169.6-71.2-85.6000110.7T41 Q70 V72 L100 F103 L146T41-Y105 HydrophobicContact CG2-CE1 4.21Å; T41-Y105 HydrophobicContact CG2-CE2 3.92Å; T41-Y105 VanDerWaalsContact CG2-CZ 3.49Å; T41-Y105 WeakPolarHBondContact CG2-OH 3.28Å; Q70-Y105 HydrophobicContact CB-CD1 4.28Å; Q70-Y105 CarbonylContact O-C 3.58Å; Q70-Y105 WeakPolarHBondContact O-CA 3.33Å; Q70-Y105 WeakPolarHBondContact O-CD1 3.44Å; V72-Y105 HydrophobicContact CG1-CD1 3.64Å; V72-Y105 HydrophobicContact CG1-CE1 3.57Å; V72-Y105 HydrophobicContact CG1-CG 4.41Å; L100-Y105 HydrophobicContact CB-CD2 4.25Å; L100-Y105 HydrophobicContact CD2-CD2 3.5Å; L100-Y105 HydrophobicContact CD2-CE2 3.88Å; L100-Y105 HydrophobicContact CD2-CG 3.98Å; L100-Y105 HydrophobicContact CG-CD2 4.49Å; L100-Y105 WeakPolarHBondContact O-CB 3.27Å; L100-Y105 PolarHBondContact O-N 3.48Å; F103-Y105 HydrophobicContact CB-CD2 3.94Å; F103-Y105 HydrophobicContact CB-CE2 4.01Å; Y105-L146 WeakPolarHBondContact O-CB 3.44Å; Y105-L146 WeakPolarHBondContact O-CD1 3.43Å
106A97.9Very high97.7Very high23 Ų2344.6 Ų44.619%0.1926%0.256CS..  trans-94.3-34.5-171.400000113.5Q70 L146 A147 A150Q70-A106 PolarHBondContact O-N 2.55Å; A106-L146 WeakPolarHBondContact O-CB 3.5Å; A106-L146 PolarHBondContact O-N 3.2Å; A106-A147 PolarHBondContact O-N 3.04Å; A106-A150 HydrophobicContact CB-CB 4.02Å; A106-A150 WeakPolarHBondContact O-CB 3.37Å
107A98.5Very high97.7Very high0 Ų045.8 Ų45.80%026%0.26CS..EExtended strand (participates in β ladder)trans-157.5161.8177.600000112.7W71 V72 V143 H144 L151W71-A107 WeakPolarHBondContact CA-O 3.37Å; W71-A107 HydrophobicContact CD2-CB 3.67Å; W71-A107 VanDerWaalsContact CE2-CB 3.49Å; W71-A107 HydrophobicContact CE3-CB 4.15Å; W71-A107 HydrophobicContact CG-CB 4.03Å; W71-A107 HydrophobicContact CH2-CB 4.34Å; W71-A107 HydrophobicContact CZ2-CB 3.87Å; W71-A107 HydrophobicContact CZ3-CB 4.46Å; V72-A107 PolarHBondContact N-O 3.4Å; V72-A107 VanDerWaalsContact N-O 3.14Å; A107-V143 HydrophobicContact CB-CG2 4.35Å; A107-H144 WeakPolarHBondContact CA-O 3.37Å; A107-H144 WeakPolarHBondContact CB-O 3.41Å; A107-L151 HydrophobicContact CB-CD2 4Å
108V98.8Very high97.6Very high0 Ų048.3 Ų48.30%028%0.279CS..EExtended strand (participates in β ladder)trans-123.1130.3175.6-177.50000109.9F59 V72 M74 L97 L100 F122 V143 H144 L146F59-V108 HydrophobicContact CD1-CG1 4.1Å; F59-V108 HydrophobicContact CE1-CG1 4Å; V72-V108 HydrophobicContact CG2-CB 4.46Å; V72-V108 HydrophobicContact CG2-CG1 4.39Å; V72-V108 HydrophobicContact CG2-CG2 3.77Å; V72-V108 CarbonylContact O-C 3.6Å; V72-V108 VanDerWaalsContact O-CA 3.27Å; V72-V108 WeakPolarHBondContact O-CA 3.32Å; M74-V108 HydrophobicContact CB-CG1 3.71Å; L97-V108 HydrophobicContact CD2-CB 3.79Å; L97-V108 HydrophobicContact CD2-CG1 4.27Å; L97-V108 HydrophobicContact CD2-CG2 3.48Å; L97-V108 VanDerWaalsContact CD2-CG2 3.48Å; L100-V108 HydrophobicContact CD1-CG2 3.74Å; V108-F122 HydrophobicContact CB-CE1 4.43Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG1-CE1 4.14Å; V108-F122 HydrophobicContact CG1-CZ 4.07Å; V108-V143 CarbonylContact O-C 3.52Å; V108-V143 WeakPolarHBondContact O-CA 3.47Å; V108-H144 PolarHBondContact N-O 3.16Å; V108-H144 PolarHBondContact O-N 3.35Å; V108-L146 HydrophobicContact CG2-CD1 3.99Å; V108-L146 HydrophobicContact CG2-CD2 4.45Å; V108-L146 HydrophobicContact CG2-CG 4.33Å
109V98.8Very high97.5Very high0 Ų053.2 Ų53.20%029%0.292CS..EExtended strand (participates in β ladder)trans-107.3152171.5-67.80000111.2V62 W71 V72 G73 M74 F141 Q142 V143 V158 Y160V62-V109 HydrophobicContact CG1-CG2 4.09Å; V62-V109 HydrophobicContact CG2-CG2 3.9Å; W71-V109 HydrophobicContact CE3-CG1 3.9Å; W71-V109 HydrophobicContact CZ3-CG1 3.9Å; V72-V109 PolarHBondContact O-N 3.26Å; G73-V109 CarbonylContact C-O 3.52Å; G73-V109 WeakPolarHBondContact CA-O 3.31Å; M74-V109 PolarHBondContact N-O 2.94Å; V109-F141 HydrophobicContact CB-CE2 3.77Å; V109-F141 HydrophobicContact CB-CZ 3.72Å; V109-F141 HydrophobicContact CG1-CE2 4.38Å; V109-F141 HydrophobicContact CG1-CZ 3.85Å; V109-F141 HydrophobicContact CG2-CE2 4.17Å; V109-F141 HydrophobicContact CG2-CZ 4.12Å; V109-Q142 CarbonylContact C-O 3.3Å; V109-Q142 VanDerWaalsContact CA-O 3.25Å; V109-Q142 WeakPolarHBondContact CA-O 3.18Å; V109-V143 HydrophobicContact CG1-CB 4.04Å; V109-V143 HydrophobicContact CG1-CG2 3.86Å; V109-V158 HydrophobicContact CG1-CG1 4.49Å; V109-V158 HydrophobicContact CG2-CG1 4Å; V109-Y160 HydrophobicContact CG2-CE2 4.01Å; V109-Y160 WeakPolarHBondContact CG2-OH 3.21Å; V109-Y160 PolarHBondContact O-OH 3.41Å
110T98.7Very high97.4Very high1 Ų153.8 Ų53.81%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-148.2164.7174.9-163.20000111M74 Y117 F122 F141 Q142M74-T110 HydrophobicContact CE-CG2 4.1Å; M74-T110 PolarHBondContact O-OG1 3.43Å; T110-Y117 HydrophobicContact CG2-CD1 3.83Å; T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CE1 4.14Å; T110-Y117 HydrophobicContact CG2-CE2 4.31Å; T110-Y117 HydrophobicContact CG2-CG 3.8Å; T110-F122 HydrophobicContact CG2-CD1 3.6Å; T110-F122 HydrophobicContact CG2-CE1 3.63Å; T110-F122 HydrophobicContact CG2-CG 4.25Å; T110-F122 HydrophobicContact CG2-CZ 4.29Å; T110-F141 WeakPolarHBondContact O-CD2 3.22Å; T110-Q142 HydrophobicContact CG2-CB 4.19Å; T110-Q142 PolarHBondContact N-O 3.24Å; T110-Q142 PolarHBondContact O-N 3.04Å
111L98.2Very high97.4Very high64 Ų6455.7 Ų55.734%0.33531%0.312SS..EExtended strand (participates in β ladder)trans-128.7121.9178.2-173.269.8000110W134 T137 A140 F141L111-W134 HydrophobicContact CD2-CE3 3.86Å; L111-W134 HydrophobicContact CD2-CZ3 4.09Å; L111-T137 HydrophobicContact CD1-CG2 3.74Å; L111-T137 HydrophobicContact CD2-CG2 4.1Å; L111-A140 HydrophobicContact CD1-CB 3.9Å; L111-F141 HydrophobicContact CD1-CB 3.91Å; L111-F141 HydrophobicContact CD1-CD2 4.26Å
112G96.8Very high97.4Very high23 Ų2352.4 Ų52.424%0.23729%0.294CS..SBendtrans158.3-157.3169.700000112.5P114 A140 Q142G112-P114 VanDerWaalsContact O-CD 3.25Å; G112-P114 WeakPolarHBondContact O-CD 3.49Å; G112-A140 PolarHBondContact N-O 2.9Å; G112-A140 VanDerWaalsContact N-O 3.11Å; G112-A140 WeakPolarHBondContact O-CA 3.42Å; G112-A140 WeakPolarHBondContact O-CB 3.45Å; G112-A140 VanDerWaalsContact O-O 3.1Å; G112-Q142 PolarHBondContact O-NE2 2.93Å; G112-Q142 VanDerWaalsContact O-NE2 3.09Å
113D96.9Very high97.4Very high101 Ų10149 Ų4954%0.5428%0.278SS..  trans-64.1116.6-170.9-173.2-6.7000112.3A115 L116 Y117D113-A115 PolarHBondContact O-N 2.82Å; D113-A115 VanDerWaalsContact OD1-CB 3.25Å; D113-A115 WeakPolarHBondContact OD1-CB 3.35Å; D113-A115 PolarHBondContact OD1-N 2.87Å; D113-L116 HydrophobicContact CB-CB 4.42Å; D113-L116 WeakPolarHBondContact O-CB 3.47Å; D113-L116 PolarHBondContact O-N 3.36Å; D113-Y117 WeakPolarHBondContact O-CD2 3.48Å; D113-Y117 PolarHBondContact O-N 2.76Å; D113-Y117 VanDerWaalsContact O-N 3.13Å
114P97Very high97.5Very high41 Ų4145.6 Ų45.627%0.26627%0.265SS..Hα-helixtrans-59.5-27.9175.1-20.831.8000113.6G112 L116 S118 L124 S139G112-P114 VanDerWaalsContact O-CD 3.25Å; G112-P114 WeakPolarHBondContact O-CD 3.49Å; P114-L116 PolarHBondContact O-N 2.84Å; P114-S118 WeakPolarHBondContact O-CB 3.28Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 PolarHBondContact O-OG 2.77Å; P114-L124 HydrophobicContact CG-CD2 4.15Å; P114-S139 WeakPolarHBondContact CG-O 3.37Å
115A96.2Very high97.6Very high52 Ų5243.1 Ų43.143%0.4324%0.24SC..Hα-helixtrans-65.2-22.3176.300000112.4D113 R119D113-A115 PolarHBondContact O-N 2.82Å; D113-A115 VanDerWaalsContact OD1-CB 3.25Å; D113-A115 WeakPolarHBondContact OD1-CB 3.35Å; D113-A115 PolarHBondContact OD1-N 2.87Å; A115-R119 PolarHBondContact O-NE 2.72Å; A115-R119 PolarHBondContact O-NH2 3.36Å
116L95.8Very high97.6Very high67 Ų6743 Ų4335%0.35125%0.249SC..Hα-helixtrans-86.5-59.9171176.662.1000111.2D113 P114 S118 R119 F120D113-L116 HydrophobicContact CB-CB 4.42Å; D113-L116 WeakPolarHBondContact O-CB 3.47Å; D113-L116 PolarHBondContact O-N 3.36Å; P114-L116 PolarHBondContact O-N 2.84Å; L116-S118 PolarHBondContact O-N 2.94Å; L116-R119 VanDerWaalsContact O-CB 3.28Å; L116-R119 WeakPolarHBondContact O-CB 3.46Å; L116-R119 WeakPolarHBondContact O-CG 3.46Å; L116-R119 PolarHBondContact O-N 3.42Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD1-CZ 3.8Å; L116-F120 HydrophobicContact CG-CE2 4.03Å; L116-F120 HydrophobicContact CG-CZ 4.37Å
117Y98Very high97.5Very high25 Ų2548.6 Ų48.610%0.09827%0.271CS..Hα-helixtrans-73.8-27.6-167-66-69.5000114.1M74 L77 T110 D113 R119 F120 F122M74-Y117 HydrophobicContact CE-CD1 3.69Å; M74-Y117 HydrophobicContact CE-CE1 3.35Å; L77-Y117 HydrophobicContact CD2-CE1 4.06Å; T110-Y117 HydrophobicContact CG2-CD1 3.83Å; T110-Y117 HydrophobicContact CG2-CD2 4.06Å; T110-Y117 HydrophobicContact CG2-CE1 4.14Å; T110-Y117 HydrophobicContact CG2-CE2 4.31Å; T110-Y117 HydrophobicContact CG2-CG 3.8Å; D113-Y117 WeakPolarHBondContact O-CD2 3.48Å; D113-Y117 PolarHBondContact O-N 2.76Å; D113-Y117 VanDerWaalsContact O-N 3.13Å; Y117-R119 PolarHBondContact O-N 2.92Å; Y117-R119 VanDerWaalsContact O-N 3.15Å; Y117-F120 AromaticContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CE2 4.16Å; Y117-F120 WeakPolarHBondContact O-CA 3.45Å; Y117-F120 WeakPolarHBondContact O-CB 3.44Å; Y117-F120 PolarHBondContact O-N 3.19Å; Y117-F122 PolarHBondContact O-N 3.46Å
118S97Very high97.5Very high66 Ų6650.5 Ų50.546%0.46228%0.279SS..G310 helixtrans-59.8-25.7172.361.20000113P114 L116 F120 G121P114-S118 WeakPolarHBondContact O-CB 3.28Å; P114-S118 PolarHBondContact O-N 2.88Å; P114-S118 PolarHBondContact O-OG 2.77Å; L116-S118 PolarHBondContact O-N 2.94Å; S118-F120 PolarHBondContact O-N 2.94Å; S118-G121 PolarHBondContact O-N 2.98Å; S118-G121 VanDerWaalsContact O-N 3.16Å
119R95.8Very high97.4Very high179 Ų17956.3 Ų56.368%0.67531%0.311SS*.G310 helixtrans-68.5-17.2174.6-54179.1-171.3-173.62112.9A115 L116 Y117A115-R119 PolarHBondContact O-NE 2.72Å; A115-R119 PolarHBondContact O-NH2 3.36Å; L116-R119 VanDerWaalsContact O-CB 3.28Å; L116-R119 WeakPolarHBondContact O-CB 3.46Å; L116-R119 WeakPolarHBondContact O-CG 3.46Å; L116-R119 PolarHBondContact O-N 3.42Å; Y117-R119 PolarHBondContact O-N 2.92Å; Y117-R119 VanDerWaalsContact O-N 3.15Å
120F96.6Very high97.4Very high32 Ų3256.5 Ų56.514%0.1431%0.312CS..G310 helixtrans-102.77.7177.1-45.6-40.9000112.3L77 A89 R90 V93 L116 Y117 S118 F122 H144L77-F120 HydrophobicContact CD2-CE2 4.09Å; A89-F120 HydrophobicContact CB-CZ 4.47Å; R90-F120 HydrophobicContact CB-CD1 4.3Å; R90-F120 HydrophobicContact CB-CE1 3.81Å; R90-F120 HydrophobicContact CG-CD1 4.1Å; R90-F120 HydrophobicContact CG-CE1 4.09Å; V93-F120 HydrophobicContact CB-CD2 4.27Å; V93-F120 HydrophobicContact CB-CG 4.32Å; V93-F120 HydrophobicContact CG1-CB 3.82Å; V93-F120 HydrophobicContact CG1-CD2 4.02Å; V93-F120 HydrophobicContact CG1-CG 3.99Å; V93-F120 HydrophobicContact CG2-CD2 3.97Å; V93-F120 HydrophobicContact CG2-CE2 4.05Å; L116-F120 HydrophobicContact CD1-CE2 3.98Å; L116-F120 HydrophobicContact CD1-CZ 3.8Å; L116-F120 HydrophobicContact CG-CE2 4.03Å; L116-F120 HydrophobicContact CG-CZ 4.37Å; Y117-F120 AromaticContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CD2 3.95Å; Y117-F120 HydrophobicContact CD1-CE2 4.16Å; Y117-F120 WeakPolarHBondContact O-CA 3.45Å; Y117-F120 WeakPolarHBondContact O-CB 3.44Å; Y117-F120 PolarHBondContact O-N 3.19Å; S118-F120 PolarHBondContact O-N 2.94Å; F120-F122 HydrophobicContact CB-CD2 4Å; F120-F122 HydrophobicContact CB-CE2 4.2Å; F120-H144 PolarHBondContact O-CD2 3.02Å; F120-H144 VanDerWaalsContact O-CD2 3.3Å; F120-H144 PolarHBondContact O-NE2 3.41Å
121G96.9Very high97.4Very high41 Ų4162.9 Ų62.942%0.42334%0.336SS..THydrogen-bonded Turntrans90.76.2178.300000115S118 H144S118-G121 PolarHBondContact O-N 2.98Å; S118-G121 VanDerWaalsContact O-N 3.16Å; G121-H144 PolarHBondContact O-CD2 3.11Å
122F98.4Very high97.4Very high7 Ų760.1 Ų60.13%0.03132%0.321CS..  trans-73.3141.7175.7-75.3-102.7000111.5M74 V93 L97 V108 T110 Y117 F120 Q142 H144M74-F122 HydrophobicContact CE-CE2 4.17Å; M74-F122 HydrophobicContact CE-CZ 3.84Å; M74-F122 HydrophobicContact SD-CZ 4.31Å; V93-F122 HydrophobicContact CG1-CE2 4.06Å; L97-F122 HydrophobicContact CD1-CE2 4.3Å; L97-F122 HydrophobicContact CD2-CZ 4.4Å; V108-F122 HydrophobicContact CB-CE1 4.43Å; V108-F122 HydrophobicContact CB-CZ 4.46Å; V108-F122 HydrophobicContact CG1-CE1 4.14Å; V108-F122 HydrophobicContact CG1-CZ 4.07Å; T110-F122 HydrophobicContact CG2-CD1 3.6Å; T110-F122 HydrophobicContact CG2-CE1 3.63Å; T110-F122 HydrophobicContact CG2-CG 4.25Å; T110-F122 HydrophobicContact CG2-CZ 4.29Å; Y117-F122 PolarHBondContact O-N 3.46Å; F120-F122 HydrophobicContact CB-CD2 4Å; F120-F122 HydrophobicContact CB-CE2 4.2Å; F122-Q142 HydrophobicContact CB-CB 4.04Å; F122-Q142 HydrophobicContact CD1-CB 4.24Å; F122-H144 HydrophobicContact CD1-CB 3.72Å; F122-H144 HydrophobicContact CD2-CB 4.11Å; F122-H144 HydrophobicContact CE1-CB 3.68Å; F122-H144 HydrophobicContact CE2-CB 4.08Å; F122-H144 HydrophobicContact CG-CB 3.94Å; F122-H144 HydrophobicContact CZ-CB 3.87Å
123E98Very high97.4Very high86 Ų8665.3 Ų65.340%0.40233%0.334SS..EExtended strand (participates in β ladder)trans-112.6153177.2-62.9176.2-176.300110A125 H128 Q142 V143 R145E123-A125 PolarHBondContact O-N 3.02Å; E123-H128 IonicContact OE2-CD2 2.7Å; E123-H128 IonicContact OE2-CE1 3.27Å; E123-H128 PolarHBondContact OE2-CE1 3.08Å; E123-H128 IonicContact OE2-NE2 3.42Å; E123-H128 PolarHBondContact OE2-NE2 2.76Å; E123-Q142 CarbonylContact O-C 3.44Å; E123-Q142 WeakPolarHBondContact O-CA 3.43Å; E123-Q142 VanDerWaalsContact O-CB 3.31Å; E123-Q142 WeakPolarHBondContact O-CB 3.27Å; E123-V143 PolarHBondContact N-O 2.97Å; E123-V143 PolarHBondContact O-N 2.67Å; E123-R145 IonicContact OE2-NH2 3.92Å
124L98.4Very high97.5Very high47 Ų4763.6 Ų63.625%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-60.9124.6173.8-73.6174.5000110.2P114 A126 H127 Q142P114-L124 HydrophobicContact CG-CD2 4.15Å; L124-A126 PolarHBondContact O-N 3.26Å; L124-H127 WeakPolarHBondContact O-CB 3.38Å; L124-H127 PolarHBondContact O-N 3.47Å; L124-Q142 HydrophobicContact CD2-CG 4.01Å
125A98.5Very high97.4Very high0 Ų067.5 Ų67.50%035%0.345CS..G310 helixtrans-62.6-30.5-178.900000111.9E123 H127 H128 D129 L130 F141 V143E123-A125 PolarHBondContact O-N 3.02Å; A125-H127 PolarHBondContact O-N 2.92Å; A125-H128 CarbonylContact O-C 3.42Å; A125-H128 WeakPolarHBondContact O-CA 3.2Å; A125-H128 PolarHBondContact O-N 3.2Å; A125-D129 PolarHBondContact O-N 3.17Å; A125-L130 CarbonylContact C-O 3.57Å; A125-L130 VanDerWaalsContact C-O 3.3Å; A125-L130 HydrophobicContact CB-CB 3.91Å; A125-L130 PolarHBondContact O-N 3.32Å; A125-F141 HydrophobicContact CB-CB 4.39Å; A125-F141 HydrophobicContact CB-CD1 3.31Å; A125-F141 HydrophobicContact CB-CE1 3.75Å; A125-F141 HydrophobicContact CB-CG 4.03Å; A125-F141 WeakPolarHBondContact CB-O 3.24Å; A125-F141 PolarHBondContact N-O 3.14Å; A125-V143 HydrophobicContact CB-CG1 4.45Å
126A97.7Very high97.4Very high47 Ų4768.6 Ų68.639%0.38836%0.361SS..G310 helixtrans-60.5-25.4175.100000113.5L124 H128 D129 L130L124-A126 PolarHBondContact O-N 3.26Å; A126-H128 PolarHBondContact O-N 3.07Å; A126-D129 PolarHBondContact O-N 3.4Å; A126-L130 PolarHBondContact N-O 3.18Å
127H97.1Very high97.4Very high141 Ų14166.2 Ų66.265%0.65335%0.35SS*.G310 helixtrans-71.9-14174.2-62.7168.1000113.2L124 A125L124-H127 WeakPolarHBondContact O-CB 3.38Å; L124-H127 PolarHBondContact O-N 3.47Å; A125-H127 PolarHBondContact O-N 2.92Å
128H97.4Very high97.4Very high40 Ų4072.3 Ų72.319%0.18538%0.379CS..G310 helixtrans-113.919.1178.8-60.4-81.5000111.7E123 A125 A126 L130E123-H128 IonicContact OE2-CD2 2.7Å; E123-H128 IonicContact OE2-CE1 3.27Å; E123-H128 PolarHBondContact OE2-CE1 3.08Å; E123-H128 IonicContact OE2-NE2 3.42Å; E123-H128 PolarHBondContact OE2-NE2 2.76Å; A125-H128 CarbonylContact O-C 3.42Å; A125-H128 WeakPolarHBondContact O-CA 3.2Å; A125-H128 PolarHBondContact O-N 3.2Å; A126-H128 PolarHBondContact O-N 3.07Å; H128-L130 HydrophobicContact CB-CD1 3.92Å; H128-L130 HydrophobicContact CB-CG 4.39Å; H128-L130 PolarHBondContact O-N 3.2Å; H128-L130 VanDerWaalsContact O-N 3.15Å
129D97.9Very high97.4Very high122 Ų12273 Ų7365%0.65238%0.384SS*.THydrogen-bonded Turntrans54.330-175.8-64.5-38.8000114A125 A126 T155 G156A125-D129 PolarHBondContact O-N 3.17Å; A126-D129 PolarHBondContact O-N 3.4Å; D129-T155 HydrophobicContact CB-CG2 3.83Å; D129-G156 PolarHBondContact O-N 3.24Å
130L98.6Very high97.5Very high4 Ų465.5 Ų65.52%0.02136%0.36CS..EExtended strand (participates in β ladder)trans-104.3140.2176.8-68.7159.5000110.9V64 W71 A125 A126 H128 V143 V154 G156 V158V64-L130 HydrophobicContact CG1-CD2 3.99Å; W71-L130 HydrophobicContact CH2-CD1 3.6Å; W71-L130 HydrophobicContact CH2-CD2 4.25Å; W71-L130 HydrophobicContact CZ3-CD1 3.83Å; W71-L130 HydrophobicContact CZ3-CD2 4.24Å; A125-L130 CarbonylContact C-O 3.57Å; A125-L130 VanDerWaalsContact C-O 3.3Å; A125-L130 HydrophobicContact CB-CB 3.91Å; A125-L130 PolarHBondContact O-N 3.32Å; A126-L130 PolarHBondContact N-O 3.18Å; H128-L130 HydrophobicContact CB-CD1 3.92Å; H128-L130 HydrophobicContact CB-CG 4.39Å; H128-L130 PolarHBondContact O-N 3.2Å; H128-L130 VanDerWaalsContact O-N 3.15Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; L130-V154 HydrophobicContact CD2-CG1 4.46Å; L130-G156 WeakPolarHBondContact CA-O 3.39Å; L130-V158 HydrophobicContact CB-CG2 4.4Å; L130-V158 HydrophobicContact CD2-CG2 3.78Å
131R98.6Very high97.6Very high136 Ų13664 Ų6451%0.51335%0.354SS..EExtended strand (participates in β ladder)trans-144153.8178.760.2-178.3178.379.25.1110.8G156 L157 V158R131-G156 PolarHBondContact N-O 2.95Å; R131-L157 CarbonylContact O-C 3.53Å; R131-L157 WeakPolarHBondContact O-CA 3.47Å; R131-V158 PolarHBondContact O-N 2.88Å
132C98.1Very high97.7Very high5 Ų562.2 Ų62.23%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-97.4176.6166.568.20000110.7W134 T137 F141C132-W134 VanDerWaalsContact C-N 3.32Å; C132-W134 HydrophobicContact CB-CE3 4.1Å; C132-W134 HydrophobicContact CB-CZ3 4.29Å; C132-W134 PolarHBondContact O-N 2.96Å; C132-W134 VanDerWaalsContact SG-CE3 3.57Å; C132-T137 PolarHBondContact SG-OG1 3Å; C132-F141 HydrophobicContact CB-CD1 4.25Å; C132-F141 HydrophobicContact CB-CD2 4.05Å; C132-F141 HydrophobicContact CB-CE1 4.19Å; C132-F141 HydrophobicContact CB-CE2 4Å; C132-F141 HydrophobicContact CB-CG 4.2Å; C132-F141 HydrophobicContact CB-CZ 4.07Å
133R97.6Very high97.7Very high132 Ų13261.9 Ų61.950%0.49833%0.333SS..SBendtrans-73.7-19.9-175.268.1-176.5-69163.2-4.5114.7L157 N165R133-L157 HydrophobicContact CB-CD1 4.18Å; R133-N165 WeakPolarHBondContact CD-OD1 3.4Å; R133-N165 PolarHBondContact NE-OD1 3.06Å; R133-N165 PolarHBondContact NH1-ND2 2.8Å; R133-N165 VanDerWaalsContact NH1-ND2 3.19Å
134W97.5Very high97.7Very high65 Ų6560 Ų6025%0.24632%0.324CS..SBendtrans-85.9139.5-172.2-53.6-67.5000111.3L111 C132 T137 Y160 F164L111-W134 HydrophobicContact CD2-CE3 3.86Å; L111-W134 HydrophobicContact CD2-CZ3 4.09Å; C132-W134 VanDerWaalsContact C-N 3.32Å; C132-W134 HydrophobicContact CB-CE3 4.1Å; C132-W134 HydrophobicContact CB-CZ3 4.29Å; C132-W134 PolarHBondContact O-N 2.96Å; C132-W134 VanDerWaalsContact SG-CE3 3.57Å; W134-T137 HydrophobicContact CB-CG2 3.83Å; W134-T137 WeakPolarHBondContact O-CG2 3.17Å; W134-T137 PolarHBondContact O-OG1 2.77Å; W134-Y160 HydrophobicContact CH2-CD2 4.05Å; W134-Y160 HydrophobicContact CH2-CG 4.07Å; W134-Y160 HydrophobicContact CZ3-CD2 4.18Å; W134-Y160 HydrophobicContact CZ3-CE2 4.39Å; W134-F164 HydrophobicContact CH2-CB 3.84Å; W134-F164 HydrophobicContact CH2-CD1 4.3Å; W134-F164 HydrophobicContact CH2-CG 4.39Å; W134-F164 HydrophobicContact CZ2-CB 3.69Å
135P95.5Very high97.7Very high124 Ų12461.2 Ų61.281%0.80533%0.325SS*.THydrogen-bonded Turntrans-69.8153.3179.830.5-35.7000111.7T137P135-T137 VanDerWaalsContact C-N 3.27Å; P135-T137 PolarHBondContact O-N 2.82Å
136G95.5Very high97.7Very high74 Ų7462.5 Ų62.576%0.76333%0.332SS*.THydrogen-bonded Turntrans71.817.5174.300000114.8
137T97.6Very high97.4Very high17 Ų1762.1 Ų62.110%0.10433%0.328CS..  trans-98.6-4.4-17654.40000114L111 C132 W134 P135 S139 A140 F141L111-T137 HydrophobicContact CD1-CG2 3.74Å; L111-T137 HydrophobicContact CD2-CG2 4.1Å; C132-T137 PolarHBondContact SG-OG1 3Å; W134-T137 HydrophobicContact CB-CG2 3.83Å; W134-T137 WeakPolarHBondContact O-CG2 3.17Å; W134-T137 PolarHBondContact O-OG1 2.77Å; P135-T137 VanDerWaalsContact C-N 3.27Å; P135-T137 PolarHBondContact O-N 2.82Å; T137-S139 PolarHBondContact O-N 3.17Å; T137-S139 VanDerWaalsContact O-N 3.09Å; T137-A140 PolarHBondContact O-N 3.26Å; T137-F141 WeakPolarHBondContact O-CB 3.25Å; T137-F141 PolarHBondContact O-N 3.15Å
138E96.4Very high97Very high153 Ų15362.3 Ų62.372%0.71533%0.334SS*.THydrogen-bonded Turntrans-56.2-32-175.9-62177.6147.900113.2
139S97.3Very high96.8Very high82 Ų8265.6 Ų65.657%0.57335%0.353SS*.THydrogen-bonded Turntrans-90.70.6178.165.30000114.4P114 T137P114-S139 WeakPolarHBondContact CG-O 3.37Å; T137-S139 PolarHBondContact O-N 3.17Å; T137-S139 VanDerWaalsContact O-N 3.09Å
140A98Very high96.6Very high20 Ų2060.4 Ų60.417%0.16533%0.328CS..THydrogen-bonded Turntrans-129.5-25-17400000113.1L111 G112 T137 Q142L111-A140 HydrophobicContact CD1-CB 3.9Å; G112-A140 PolarHBondContact N-O 2.9Å; G112-A140 VanDerWaalsContact N-O 3.11Å; G112-A140 WeakPolarHBondContact O-CA 3.42Å; G112-A140 WeakPolarHBondContact O-CB 3.45Å; G112-A140 VanDerWaalsContact O-O 3.1Å; T137-A140 PolarHBondContact O-N 3.26Å; A140-Q142 PolarHBondContact O-N 3.36Å; A140-Q142 PolarHBondContact O-NE2 2.85Å
141F98.7Very high96.4Very high2 Ų260.7 Ų60.71%0.00933%0.329CS..EExtended strand (participates in β ladder)trans-76.7123.3178.1-169.1-125.2000109.4V109 T110 L111 A125 C132 T137 V158 Y160V109-F141 HydrophobicContact CB-CE2 3.77Å; V109-F141 HydrophobicContact CB-CZ 3.72Å; V109-F141 HydrophobicContact CG1-CE2 4.38Å; V109-F141 HydrophobicContact CG1-CZ 3.85Å; V109-F141 HydrophobicContact CG2-CE2 4.17Å; V109-F141 HydrophobicContact CG2-CZ 4.12Å; T110-F141 WeakPolarHBondContact O-CD2 3.22Å; L111-F141 HydrophobicContact CD1-CB 3.91Å; L111-F141 HydrophobicContact CD1-CD2 4.26Å; A125-F141 HydrophobicContact CB-CB 4.39Å; A125-F141 HydrophobicContact CB-CD1 3.31Å; A125-F141 HydrophobicContact CB-CE1 3.75Å; A125-F141 HydrophobicContact CB-CG 4.03Å; A125-F141 WeakPolarHBondContact CB-O 3.24Å; A125-F141 PolarHBondContact N-O 3.14Å; C132-F141 HydrophobicContact CB-CD1 4.25Å; C132-F141 HydrophobicContact CB-CD2 4.05Å; C132-F141 HydrophobicContact CB-CE1 4.19Å; C132-F141 HydrophobicContact CB-CE2 4Å; C132-F141 HydrophobicContact CB-CG 4.2Å; C132-F141 HydrophobicContact CB-CZ 4.07Å; T137-F141 WeakPolarHBondContact O-CB 3.25Å; T137-F141 PolarHBondContact O-N 3.15Å; F141-V158 HydrophobicContact CE1-CB 4.1Å; F141-V158 HydrophobicContact CE1-CG2 3.94Å; F141-V158 HydrophobicContact CZ-CB 3.78Å; F141-V158 HydrophobicContact CZ-CG1 4.09Å; F141-V158 HydrophobicContact CZ-CG2 3.97Å; F141-Y160 AromaticContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CZ-CE2 4.36Å
142Q98.8Very high96.2Very high2 Ų259.7 Ų59.71%0.00933%0.334CS..EExtended strand (participates in β ladder)trans-136.3155.4-168.3-7016788.300110.7V109 T110 G112 F122 E123 L124 A140V109-Q142 CarbonylContact C-O 3.3Å; V109-Q142 VanDerWaalsContact CA-O 3.25Å; V109-Q142 WeakPolarHBondContact CA-O 3.18Å; T110-Q142 HydrophobicContact CG2-CB 4.19Å; T110-Q142 PolarHBondContact N-O 3.24Å; T110-Q142 PolarHBondContact O-N 3.04Å; G112-Q142 PolarHBondContact O-NE2 2.93Å; G112-Q142 VanDerWaalsContact O-NE2 3.09Å; F122-Q142 HydrophobicContact CB-CB 4.04Å; F122-Q142 HydrophobicContact CD1-CB 4.24Å; E123-Q142 CarbonylContact O-C 3.44Å; E123-Q142 WeakPolarHBondContact O-CA 3.43Å; E123-Q142 VanDerWaalsContact O-CB 3.31Å; E123-Q142 WeakPolarHBondContact O-CB 3.27Å; L124-Q142 HydrophobicContact CD2-CG 4.01Å; A140-Q142 PolarHBondContact O-N 3.36Å; A140-Q142 PolarHBondContact O-NE2 2.85Å
143V98.7Very high96.1Very high1 Ų163.2 Ų63.21%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-134.3143.4-177.764.10000110.7W71 A107 V108 V109 E123 A125 L130 L151W71-V143 HydrophobicContact CH2-CG2 4.24Å; W71-V143 HydrophobicContact CZ3-CG2 4.04Å; A107-V143 HydrophobicContact CB-CG2 4.35Å; V108-V143 CarbonylContact O-C 3.52Å; V108-V143 WeakPolarHBondContact O-CA 3.47Å; V109-V143 HydrophobicContact CG1-CB 4.04Å; V109-V143 HydrophobicContact CG1-CG2 3.86Å; E123-V143 PolarHBondContact N-O 2.97Å; E123-V143 PolarHBondContact O-N 2.67Å; A125-V143 HydrophobicContact CB-CG1 4.45Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; V143-L151 HydrophobicContact CG1-CD1 4.01Å; V143-L151 HydrophobicContact CG2-CD1 4.27Å; V143-L151 HydrophobicContact CG2-CD2 3.72Å
144H98.6Very high96.1Very high45 Ų4558.1 Ų58.121%0.20836%0.355CS..EExtended strand (participates in β ladder)trans-126.2121.4171.1-169.7-59.5000108.4L97 A107 V108 F120 G121 F122L97-H144 HydrophobicContact CD2-CB 4.49Å; A107-H144 WeakPolarHBondContact CA-O 3.37Å; A107-H144 WeakPolarHBondContact CB-O 3.41Å; V108-H144 PolarHBondContact N-O 3.16Å; V108-H144 PolarHBondContact O-N 3.35Å; F120-H144 PolarHBondContact O-CD2 3.02Å; F120-H144 VanDerWaalsContact O-CD2 3.3Å; F120-H144 PolarHBondContact O-NE2 3.41Å; G121-H144 PolarHBondContact O-CD2 3.11Å; F122-H144 HydrophobicContact CD1-CB 3.72Å; F122-H144 HydrophobicContact CD2-CB 4.11Å; F122-H144 HydrophobicContact CE1-CB 3.68Å; F122-H144 HydrophobicContact CE2-CB 4.08Å; F122-H144 HydrophobicContact CG-CB 3.94Å; F122-H144 HydrophobicContact CZ-CB 3.87Å
145R97.9Very high96.1Very high73 Ų7358.2 Ų58.228%0.27536%0.362SS..EExtended strand (participates in β ladder)trans-76.3140.517674.5-175.975.8-159.42110.5E123 A147 D148 A150 L151E123-R145 IonicContact OE2-NH2 3.92Å; R145-A147 WeakPolarHBondContact CB-O 3.1Å; R145-D148 PolarHBondContact NH1-O 3.38Å; R145-A150 HydrophobicContact CB-CB 4.38Å; R145-L151 HydrophobicContact CB-CD1 4.09Å; R145-L151 HydrophobicContact CB-CD2 4.37Å; R145-L151 HydrophobicContact CB-CG 3.92Å
146L97.6Very high96.2Very high28 Ų2852.7 Ų52.715%0.14733%0.329CS..SBendtrans-99.5-31.1171.8-61177.8000111.1L97 L100 N101 Y105 A106 V108L97-L146 HydrophobicContact CB-CD2 4.04Å; L97-L146 HydrophobicContact CD2-CD2 3.83Å; L100-L146 HydrophobicContact CB-CD1 3.73Å; N101-L146 HydrophobicContact CB-CB 4.26Å; N101-L146 HydrophobicContact CB-CD1 4.46Å; N101-L146 HydrophobicContact CB-CD2 4.37Å; N101-L146 PolarHBondContact OD1-O 2.82Å; Y105-L146 WeakPolarHBondContact O-CB 3.44Å; Y105-L146 WeakPolarHBondContact O-CD1 3.43Å; A106-L146 WeakPolarHBondContact O-CB 3.5Å; A106-L146 PolarHBondContact O-N 3.2Å; V108-L146 HydrophobicContact CG2-CD1 3.99Å; V108-L146 HydrophobicContact CG2-CD2 4.45Å; V108-L146 HydrophobicContact CG2-CG 4.33Å
147A91.3Very high96.4Very high38 Ų3850.6 Ų50.631%0.31430%0.3SS..SBendtrans-107.8148.4166.300000111.6A106 R145 D149 A150A106-A147 PolarHBondContact O-N 3.04Å; R145-A147 WeakPolarHBondContact CB-O 3.1Å; A147-D149 PolarHBondContact O-N 2.84Å; A147-A150 HydrophobicContact CB-CB 4.19Å; A147-A150 WeakPolarHBondContact O-CB 3.07Å; A147-A150 PolarHBondContact O-N 3.24Å; A147-A150 VanDerWaalsContact O-N 3.16Å
148D89.7Confident96.5Very high145 Ų14549.8 Ų49.878%0.77530%0.295SS*.THydrogen-bonded Turntrans-57-35.2-174.5-85.7-14.8000113.3R145R145-D148 PolarHBondContact NH1-O 3.38Å
149D92.5Very high96.6Very high109 Ų10946 Ų4658%0.58328%0.277SS*.THydrogen-bonded Turntrans-102.54-17761.9-11.6000114.4A147 L151 N152A147-D149 PolarHBondContact O-N 2.84Å; D149-L151 PolarHBondContact O-N 3.49Å; D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.28Å
150A93.8Very high96.6Very high14 Ų1443 Ų4312%0.11625%0.253CS..THydrogen-bonded Turntrans-59-24.1-173.900000114.9A106 R145 A147A106-A150 HydrophobicContact CB-CB 4.02Å; A106-A150 WeakPolarHBondContact O-CB 3.37Å; R145-A150 HydrophobicContact CB-CB 4.38Å; A147-A150 HydrophobicContact CB-CB 4.19Å; A147-A150 WeakPolarHBondContact O-CB 3.07Å; A147-A150 PolarHBondContact O-N 3.24Å; A147-A150 VanDerWaalsContact O-N 3.16Å
151L95.8Very high96.6Very high9 Ų943.6 Ų43.65%0.04725%0.253CS..THydrogen-bonded Turntrans-99-8.7-179.7-49.4-174.4000112.7W71 A107 V143 R145 D149 G153 V154W71-L151 HydrophobicContact CH2-CD2 3.4Å; W71-L151 VanDerWaalsContact CH2-CD2 3.4Å; W71-L151 HydrophobicContact CZ2-CD2 3.43Å; W71-L151 VanDerWaalsContact CZ2-CD2 3.43Å; W71-L151 HydrophobicContact CZ3-CD2 4.41Å; A107-L151 HydrophobicContact CB-CD2 4Å; V143-L151 HydrophobicContact CG1-CD1 4.01Å; V143-L151 HydrophobicContact CG2-CD1 4.27Å; V143-L151 HydrophobicContact CG2-CD2 3.72Å; R145-L151 HydrophobicContact CB-CD1 4.09Å; R145-L151 HydrophobicContact CB-CD2 4.37Å; R145-L151 HydrophobicContact CB-CG 3.92Å; D149-L151 PolarHBondContact O-N 3.49Å; L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.16Å; L151-V154 PolarHBondContact O-N 3.16Å
152N94.6Very high96.6Very high115 Ų11550.3 Ų50.362%0.61528%0.284SS*.THydrogen-bonded Turntrans-70.9114.5-172.9-70-17.2000110.8D149 V154D149-N152 WeakPolarHBondContact O-CB 3.33Å; D149-N152 PolarHBondContact O-N 3.28Å; N152-V154 PolarHBondContact O-N 3.44Å
153G95.3Very high96.5Very high80 Ų8051.7 Ų51.783%0.82529%0.29SS*.THydrogen-bonded Turntrans78.63.2-179.100000114.4L151L151-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact O-N 3.16Å
154V97.4Very high96.5Very high25 Ų2552.8 Ų52.815%0.15230%0.295CS..  trans-96.3115.1177.3-178.50000108.8V64 L69 W71 L130 L151 N152V64-V154 HydrophobicContact CB-CG1 4.28Å; V64-V154 HydrophobicContact CG1-CG1 3.78Å; V64-V154 HydrophobicContact CG2-CG1 4.3Å; L69-V154 HydrophobicContact CD1-CB 4.43Å; L69-V154 HydrophobicContact CD1-CG1 3.55Å; L69-V154 HydrophobicContact CD1-CG2 3.98Å; W71-V154 HydrophobicContact CH2-CG1 3.85Å; W71-V154 HydrophobicContact CZ2-CB 4.24Å; W71-V154 HydrophobicContact CZ2-CG1 3.67Å; L130-V154 HydrophobicContact CD2-CG1 4.46Å; L151-V154 PolarHBondContact O-N 3.16Å; N152-V154 PolarHBondContact O-N 3.44Å
155T98Very high96.3Very high66 Ų6654 Ų5441%0.40530%0.303SS..  trans-143.6159.6-176.263.20000111Q65 D129Q65-T155 VanDerWaalsContact CG-O 3.29Å; Q65-T155 WeakPolarHBondContact CG-O 3.47Å; Q65-T155 PolarHBondContact NE2-O 3.09Å; D129-T155 HydrophobicContact CB-CG2 3.83Å
156G98.1Very high96Very high9 Ų954.3 Ų54.39%0.09330%0.304CS..EExtended strand (participates in β ladder)trans113-148.9169.200000115.4D129 L130 R131D129-G156 PolarHBondContact O-N 3.24Å; L130-G156 WeakPolarHBondContact CA-O 3.39Å; R131-G156 PolarHBondContact N-O 2.95Å
157L98.6Very high94.9Very high30 Ų3065.2 Ų65.216%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-80.7122.1-175.3176.960.6000110.2V64 Q65 R131 R133 E159V64-L157 WeakPolarHBondContact CA-O 3.26Å; Q65-L157 PolarHBondContact N-O 3.27Å; R131-L157 CarbonylContact O-C 3.53Å; R131-L157 WeakPolarHBondContact O-CA 3.47Å; R133-L157 HydrophobicContact CB-CD1 4.18Å; L157-E159 HydrophobicContact CD1-CG 4.42Å; L157-E159 HydrophobicContact CD2-CG 3.74Å; L157-E159 HydrophobicContact CG-CG 3.65Å
158V98.8Very high95.1Very high0 Ų066.6 Ų66.60%035%0.353CS..EExtended strand (participates in β ladder)trans-93.8120.7167.3-172.50000108.7V62 D63 V64 W71 V109 L130 R131 F141V62-V158 HydrophobicContact CB-CG1 3.77Å; V62-V158 HydrophobicContact CG1-CG1 4.35Å; V62-V158 HydrophobicContact CG2-CG1 3.71Å; D63-V158 CarbonylContact O-C 3.6Å; D63-V158 VanDerWaalsContact O-CA 3.27Å; D63-V158 WeakPolarHBondContact O-CA 3.16Å; V64-V158 HydrophobicContact CG2-CG2 4.25Å; W71-V158 HydrophobicContact CZ3-CG2 4.5Å; V109-V158 HydrophobicContact CG1-CG1 4.49Å; V109-V158 HydrophobicContact CG2-CG1 4Å; L130-V158 HydrophobicContact CB-CG2 4.4Å; L130-V158 HydrophobicContact CD2-CG2 3.78Å; R131-V158 PolarHBondContact O-N 2.88Å; F141-V158 HydrophobicContact CE1-CB 4.1Å; F141-V158 HydrophobicContact CE1-CG2 3.94Å; F141-V158 HydrophobicContact CZ-CB 3.78Å; F141-V158 HydrophobicContact CZ-CG1 4.09Å; F141-V158 HydrophobicContact CZ-CG2 3.97Å
159E98.6Very high95.4Very high73 Ų7362.5 Ų62.534%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-107.4118.7-177.4-60.6-166.676.100110.1V62 D63 L157V62-E159 CarbonylContact C-O 3.5Å; V62-E159 WeakPolarHBondContact CA-O 3.35Å; V62-E159 WeakPolarHBondContact CB-O 3.35Å; D63-E159 PolarHBondContact N-O 3.17Å; D63-E159 PolarHBondContact O-N 3.16Å; L157-E159 HydrophobicContact CD1-CG 4.42Å; L157-E159 HydrophobicContact CD2-CG 3.74Å; L157-E159 HydrophobicContact CG-CG 3.65Å
160Y98.6Very high95.5Very high18 Ų1859.9 Ų59.97%0.07132%0.317CS..EExtended strand (participates in β ladder)trans-80.5159.7167.8-74.5-112.8000110V62 V109 W134 F141 F164V62-Y160 HydrophobicContact CG1-CD1 3.86Å; V62-Y160 HydrophobicContact CG1-CD2 3.93Å; V62-Y160 HydrophobicContact CG1-CE1 4.06Å; V62-Y160 HydrophobicContact CG1-CE2 4.09Å; V62-Y160 HydrophobicContact CG1-CG 3.81Å; V109-Y160 HydrophobicContact CG2-CE2 4.01Å; V109-Y160 WeakPolarHBondContact CG2-OH 3.21Å; V109-Y160 PolarHBondContact O-OH 3.41Å; W134-Y160 HydrophobicContact CH2-CD2 4.05Å; W134-Y160 HydrophobicContact CH2-CG 4.07Å; W134-Y160 HydrophobicContact CZ3-CD2 4.18Å; W134-Y160 HydrophobicContact CZ3-CE2 4.39Å; F141-Y160 AromaticContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CE2-CE2 3.84Å; F141-Y160 HydrophobicContact CZ-CE2 4.36Å; Y160-F164 AromaticContact CD1-CD1 3.82Å; Y160-F164 HydrophobicContact CD1-CD1 3.82Å; Y160-F164 AromaticContact CD1-CD2 3.93Å; Y160-F164 HydrophobicContact CD1-CD2 3.93Å; Y160-F164 AromaticContact CD1-CE1 3.65Å; Y160-F164 HydrophobicContact CD1-CE1 3.65Å; Y160-F164 AromaticContact CD1-CE2 3.79Å; Y160-F164 HydrophobicContact CD1-CE2 3.79Å; Y160-F164 AromaticContact CD1-CG 3.95Å; Y160-F164 HydrophobicContact CD1-CG 3.95Å; Y160-F164 AromaticContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CE1-CD1 4.42Å; Y160-F164 AromaticContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CZ 4.14Å; Y160-F164 HydrophobicContact CG-CD1 4.43Å; Y160-F164 HydrophobicContact CG-CD2 4.35Å; Y160-F164 HydrophobicContact CG-CG 4.26Å
161H98.2Very high95.6Very high34 Ų3462.6 Ų62.616%0.15733%0.328CS..  trans-52.1148.9171.1-169-97.3000111.9L34 F39 H163 F164L34-H161 HydrophobicContact CD2-CB 4.17Å; F39-H161 AromaticContact CD1-CD2 3.58Å; F39-H161 AromaticContact CD1-NE2 3.98Å; F39-H161 AromaticContact CD2-CD2 3.86Å; F39-H161 AromaticContact CD2-CE1 3.71Å; F39-H161 AromaticContact CD2-NE2 3.48Å; F39-H161 WeakPolarHBondContact CD2-NE2 3.45Å; F39-H161 AromaticContact CE1-CD2 3.59Å; F39-H161 AromaticContact CE1-NE2 3.74Å; F39-H161 AromaticContact CE2-CD2 3.87Å; F39-H161 AromaticContact CE2-CE1 3.76Å; F39-H161 AromaticContact CE2-NE2 3.21Å; F39-H161 WeakPolarHBondContact CE2-NE2 3.29Å; F39-H161 AromaticContact CG-CD2 3.71Å; F39-H161 AromaticContact CG-NE2 3.85Å; F39-H161 AromaticContact CZ-CD2 3.73Å; F39-H161 AromaticContact CZ-NE2 3.35Å; F39-H161 WeakPolarHBondContact CZ-NE2 3.49Å; H161-H163 AromaticContact CE1-CD2 3.32Å; H161-H163 PolarHBondContact CE1-CD2 3.43Å; H161-H163 AromaticContact CE1-CG 3.81Å; H161-H163 AromaticContact CE1-NE2 3.72Å; H161-H163 AromaticContact ND1-CD2 3.17Å; H161-H163 PolarHBondContact ND1-CD2 3.5Å; H161-H163 AromaticContact ND1-CG 3.43Å; H161-H163 PolarHBondContact ND1-N 3.4Å; H161-H163 PolarHBondContact O-N 3.39Å; H161-F164 HydrophobicContact CB-CD2 4.46Å; H161-F164 WeakPolarHBondContact O-CB 3.48Å; H161-F164 WeakPolarHBondContact O-CD2 3.38Å; H161-F164 PolarHBondContact O-N 3.23Å
162E97.5Very high95.6Very high142 Ų14265.9 Ų65.966%0.66435%0.346SS*.G310 helixtrans-60.5-22.4-174.567.4176.1124.900113.9F164 N165E162-F164 PolarHBondContact O-N 2.92Å; E162-F164 VanDerWaalsContact O-N 3.11Å; E162-N165 VanDerWaalsContact O-CB 3.28Å; E162-N165 WeakPolarHBondContact O-CB 3.45Å; E162-N165 PolarHBondContact O-N 2.85Å; E162-N165 PolarHBondContact O-ND2 3.42Å
163H97.9Very high95.7Very high32 Ų3262.7 Ų62.715%0.14833%0.328CS..G310 helixtrans-55.5-25.8172.6-77.3-37.5000113.4L30 L34 D37 H161 N165 R166L30-H163 HydrophobicContact CD1-CB 3.92Å; L30-H163 WeakPolarHBondContact CD1-O 3.45Å; L34-H163 HydrophobicContact CD2-CB 4.11Å; L34-H163 HydrophobicContact CG-CB 4.36Å; D37-H163 IonicContact OD2-CD2 3.69Å; D37-H163 IonicContact OD2-CE1 2.71Å; D37-H163 PolarHBondContact OD2-CE1 2.85Å; D37-H163 IonicContact OD2-NE2 3.64Å; D37-H163 PolarHBondContact OD2-NE2 3.02Å; H161-H163 AromaticContact CE1-CD2 3.32Å; H161-H163 PolarHBondContact CE1-CD2 3.43Å; H161-H163 AromaticContact CE1-CG 3.81Å; H161-H163 AromaticContact CE1-NE2 3.72Å; H161-H163 AromaticContact ND1-CD2 3.17Å; H161-H163 PolarHBondContact ND1-CD2 3.5Å; H161-H163 AromaticContact ND1-CG 3.43Å; H161-H163 PolarHBondContact ND1-N 3.4Å; H161-H163 PolarHBondContact O-N 3.39Å; H163-N165 VanDerWaalsContact C-N 3.26Å; H163-N165 PolarHBondContact O-N 3.28Å; H163-R166 VanDerWaalsContact O-CZ 3.29Å; H163-R166 PolarHBondContact O-NE 2.96Å; H163-R166 PolarHBondContact O-NH2 2.96Å
164F97.8Very high95.7Very high23 Ų2361.4 Ų61.410%0.10129%0.293CS..G310 helixtrans-73.6-13.9175.2-76.7-99.2000113.7L30 L34 S60 A75 W134 Y160 H161 E162 R166L30-F164 HydrophobicContact CD1-CD1 4.32Å; L30-F164 HydrophobicContact CD1-CD2 3.95Å; L30-F164 HydrophobicContact CD1-CE1 4.43Å; L30-F164 HydrophobicContact CD1-CE2 4.06Å; L30-F164 HydrophobicContact CD1-CG 4.09Å; L30-F164 HydrophobicContact CD1-CZ 4.3Å; L30-F164 HydrophobicContact CD2-CD1 3.91Å; L30-F164 HydrophobicContact CD2-CE1 3.63Å; L30-F164 HydrophobicContact CD2-CZ 3.98Å; L34-F164 HydrophobicContact CD1-CE2 3.83Å; L34-F164 HydrophobicContact CD1-CZ 4.11Å; L34-F164 HydrophobicContact CD2-CE2 4.17Å; S60-F164 VanDerWaalsContact OG-CE2 3.27Å; S60-F164 WeakPolarHBondContact OG-CE2 3.49Å; S60-F164 WeakPolarHBondContact OG-CZ 3.39Å; A75-F164 HydrophobicContact CB-CE1 3.74Å; A75-F164 HydrophobicContact CB-CZ 4.2Å; W134-F164 HydrophobicContact CH2-CB 3.84Å; W134-F164 HydrophobicContact CH2-CD1 4.3Å; W134-F164 HydrophobicContact CH2-CG 4.39Å; W134-F164 HydrophobicContact CZ2-CB 3.69Å; Y160-F164 AromaticContact CD1-CD1 3.82Å; Y160-F164 HydrophobicContact CD1-CD1 3.82Å; Y160-F164 AromaticContact CD1-CD2 3.93Å; Y160-F164 HydrophobicContact CD1-CD2 3.93Å; Y160-F164 AromaticContact CD1-CE1 3.65Å; Y160-F164 HydrophobicContact CD1-CE1 3.65Å; Y160-F164 AromaticContact CD1-CE2 3.79Å; Y160-F164 HydrophobicContact CD1-CE2 3.79Å; Y160-F164 AromaticContact CD1-CG 3.95Å; Y160-F164 HydrophobicContact CD1-CG 3.95Å; Y160-F164 AromaticContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CD1-CZ 3.65Å; Y160-F164 HydrophobicContact CE1-CD1 4.42Å; Y160-F164 AromaticContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CE1 3.99Å; Y160-F164 HydrophobicContact CE1-CZ 4.14Å; Y160-F164 HydrophobicContact CG-CD1 4.43Å; Y160-F164 HydrophobicContact CG-CD2 4.35Å; Y160-F164 HydrophobicContact CG-CG 4.26Å; H161-F164 HydrophobicContact CB-CD2 4.46Å; H161-F164 WeakPolarHBondContact O-CB 3.48Å; H161-F164 WeakPolarHBondContact O-CD2 3.38Å; H161-F164 PolarHBondContact O-N 3.23Å; E162-F164 PolarHBondContact O-N 2.92Å; E162-F164 VanDerWaalsContact O-N 3.11Å; F164-R166 PolarHBondContact O-N 3.41Å
165N95.4Very high95.6Very high70 Ų7064.2 Ų64.237%0.37430%0.303SS..  trans-80.254.4-179.1-61-42.7000112.2R133 E162 H163R133-N165 WeakPolarHBondContact CD-OD1 3.4Å; R133-N165 PolarHBondContact NE-OD1 3.06Å; R133-N165 PolarHBondContact NH1-ND2 2.8Å; R133-N165 VanDerWaalsContact NH1-ND2 3.19Å; E162-N165 VanDerWaalsContact O-CB 3.28Å; E162-N165 WeakPolarHBondContact O-CB 3.45Å; E162-N165 PolarHBondContact O-N 2.85Å; E162-N165 PolarHBondContact O-ND2 3.42Å; H163-N165 VanDerWaalsContact C-N 3.26Å; H163-N165 PolarHBondContact O-N 3.28Å
166R90.7Very high95.4Very high80 Ų8064.1 Ų64.130%0.30230%0.295SS..  trans-118.7151.7178.362.8-175.770.7-150.6-4.8111.2K29 L30 D33 H163 F164K29-R166 PolarHBondContact O-NH1 3.49Å; L30-R166 VanDerWaalsContact N-NH1 3.14Å; D33-R166 IonicContact OD2-CZ 2.67Å; D33-R166 VanDerWaalsContact OD2-CZ 3.3Å; D33-R166 IonicContact OD2-NH1 2.76Å; D33-R166 PolarHBondContact OD2-NH1 3Å; D33-R166 IonicContact OD2-NH2 3.2Å; D33-R166 PolarHBondContact OD2-NH2 3.19Å; H163-R166 VanDerWaalsContact O-CZ 3.29Å; H163-R166 PolarHBondContact O-NE 2.96Å; H163-R166 PolarHBondContact O-NH2 2.96Å; F164-R166 PolarHBondContact O-N 3.41Å
167F74.8Confident95.2Very high258 Ų25869.1 Ų69.1100%1.13231%0.313SS*.  trans-116.60174.8-179.9-91.2000109.6

Retrieved 167 of 167 residues in 59.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).