A0A077Z8M2_TRITR Loading...

N-acetylglucosamine-6-phosphate deacetylase

AlphaFold DB , UniProt , Accession A0A077Z8M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 416 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.6Confident91Very high232 Ų23283.4 Ų83.4100%1.14345%0.452SS*.  0137.50-74.2-173.2-76.100107.2
2V89.4Confident90.3Very high60 Ų6076.5 Ų76.536%0.36442%0.415SS..PPolyproline II helixtrans-77.1123.3176.3-176.30000108.3M58 P59 K62V2-M58 HydrophobicContact CG2-CB 4.22Å; V2-P59 HydrophobicContact CG1-CG 4.04Å; V2-P59 HydrophobicContact CG2-CG 4.42Å; V2-P59 WeakPolarHBondContact CG2-O 3.45Å; V2-K62 HydrophobicContact CG1-CB 3.89Å
3V93.3Very high89.9Confident66 Ų6678.5 Ų78.540%0.442%0.417SS..EExtended strand (participates in β ladder)trans-78.6128.2174.5-178.10000108.6L5 D60 Y61 K62V3-L5 HydrophobicContact CG1-CD2 4.22Å; V3-L5 HydrophobicContact CG1-CG 4.13Å; V3-D60 PolarHBondContact N-O 3.06Å; V3-Y61 HydrophobicContact CB-CD1 3.65Å; V3-Y61 HydrophobicContact CB-CE1 3.86Å; V3-Y61 HydrophobicContact CG1-CD1 3.93Å; V3-Y61 HydrophobicContact CG1-CE1 4.02Å; V3-Y61 HydrophobicContact CG2-CD1 4.35Å; V3-Y61 HydrophobicContact CG2-CE1 4.12Å; V3-Y61 CarbonylContact O-C 3.57Å; V3-Y61 WeakPolarHBondContact O-CA 3.21Å; V3-K62 PolarHBondContact O-N 3.37Å
4Q95.2Very high89.3Confident150 Ų15080.9 Ų80.970%0.70143%0.43SS*.EExtended strand (participates in β ladder)trans-100.2126.5177.2-65.1-174.5-4.100109.9K62Q4-K62 WeakPolarHBondContact CA-O 3.49Å; Q4-K62 HydrophobicContact CG-CB 4.5Å
5L95.6Very high88.9Confident13 Ų1376.1 Ų76.17%0.06841%0.405CS..EExtended strand (participates in β ladder)trans-130.9161.3177.9-61.4173.5000110.1V3 D11 A12 L15 Y61 K62 I63 D64V3-L5 HydrophobicContact CG1-CD2 4.22Å; V3-L5 HydrophobicContact CG1-CG 4.13Å; L5-D11 HydrophobicContact CD1-CB 3.99Å; L5-D11 HydrophobicContact CD2-CB 4.15Å; L5-A12 HydrophobicContact CD1-CB 4.31Å; L5-L15 HydrophobicContact CD1-CD1 4.25Å; L5-Y61 HydrophobicContact CD1-CD1 3.83Å; L5-Y61 HydrophobicContact CD1-CE1 4.37Å; L5-K62 PolarHBondContact N-O 2.89Å; L5-I63 CarbonylContact O-C 3.41Å; L5-I63 WeakPolarHBondContact O-CA 3.38Å; L5-D64 PolarHBondContact O-N 2.82Å
6T94.9Very high88Confident32 Ų3271.6 Ų71.620%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-98.6150.2162.360.10000109.4N8 Q9 D64T6-N8 WeakPolarHBondContact CB-OD1 3.46Å; T6-N8 PolarHBondContact O-N 2.79Å; T6-N8 PolarHBondContact OG1-OD1 3.06Å; T6-Q9 PolarHBondContact O-N 3.26Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.16Å; T6-D64 HydrophobicContact CG2-CB 4.34Å
7W93.4Very high87.8Confident20 Ų2075.9 Ų75.98%0.07641%0.405CS..THydrogen-bonded Turntrans-55-22-17570.5-94.7000115I63 D64 L68 L390 M398 A399 R406 E409W7-I63 HydrophobicContact CB-CG2 3.82Å; W7-D64 PolarHBondContact N-O 2.78Å; W7-L68 HydrophobicContact CD2-CD1 4.15Å; W7-L68 HydrophobicContact CG-CD1 4.39Å; W7-L68 HydrophobicContact CZ2-CD1 3.95Å; W7-L390 HydrophobicContact CB-CD1 3.63Å; W7-L390 HydrophobicContact CD2-CD1 3.96Å; W7-L390 HydrophobicContact CE3-CD1 4.06Å; W7-L390 HydrophobicContact CG-CD1 3.79Å; W7-M398 HydrophobicContact CH2-CB 3.76Å; W7-M398 HydrophobicContact CH2-CE 3.89Å; W7-M398 HydrophobicContact CZ2-CB 4.12Å; W7-M398 HydrophobicContact CZ2-CE 4.05Å; W7-M398 HydrophobicContact CZ3-CB 4.13Å; W7-M398 WeakPolarHBondContact CZ3-O 3.46Å; W7-A399 HydrophobicContact CE3-CB 4.04Å; W7-A399 HydrophobicContact CZ3-CB 4.06Å; W7-R406 PolarHBondContact O-NH1 3.23Å; W7-E409 HydrophobicContact CZ3-CG 4.21Å
8N91.8Very high88.1Confident66 Ų6673.2 Ų73.235%0.35339%0.393SS..THydrogen-bonded Turntrans-98.65-177.769.1-23.3000114.5T6 R406 E409T6-N8 WeakPolarHBondContact CB-OD1 3.46Å; T6-N8 PolarHBondContact O-N 2.79Å; T6-N8 PolarHBondContact OG1-OD1 3.06Å; N8-R406 VanDerWaalsContact CA-NH1 3.34Å; N8-E409 VanDerWaalsContact CA-OE1 3.25Å; N8-E409 WeakPolarHBondContact CA-OE1 3.49Å; N8-E409 VanDerWaalsContact CB-OE1 3.28Å; N8-E409 WeakPolarHBondContact CB-OE1 3.49Å
9Q91.5Very high88.4Confident80 Ų8069.4 Ų69.437%0.37437%0.372SS..SBendtrans-78.9145.5173-77.6176.1-58.900111.2T6 D11 A12T6-Q9 PolarHBondContact O-N 3.26Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.16Å; Q9-D11 PolarHBondContact O-N 3.5Å; Q9-A12 VanDerWaalsContact O-CB 3.31Å; Q9-A12 WeakPolarHBondContact O-CB 3.45Å; Q9-A12 PolarHBondContact O-N 2.87Å
10A87.8Confident88.9Confident80 Ų8066 Ų6666%0.66135%0.354SS*.G310 helixtrans-57-38.3-179.800000112.6A12 K13A10-A12 PolarHBondContact O-N 3.29Å; A10-K13 VanDerWaalsContact O-CB 3.25Å; A10-K13 WeakPolarHBondContact O-CB 3.32Å; A10-K13 PolarHBondContact O-N 3.1Å; A10-K13 VanDerWaalsContact O-N 3.15Å
11D87.2Confident89.2Confident118 Ų11866.2 Ų66.263%0.63135%0.35SS*.G310 helixtrans-65.9-18.9179.3-60.8-23.3000113.1L5 Q9 K13L5-D11 HydrophobicContact CD1-CB 3.99Å; L5-D11 HydrophobicContact CD2-CB 4.15Å; Q9-D11 PolarHBondContact O-N 3.5Å; D11-K13 PolarHBondContact O-N 3.25Å
12A83.4Confident90Very high1 Ų155.2 Ų55.21%0.00830%0.296CS..G310 helixtrans-77.5-1.5176.500000113.4L5 Q9 A10 I63L5-A12 HydrophobicContact CD1-CB 4.31Å; Q9-A12 VanDerWaalsContact O-CB 3.31Å; Q9-A12 WeakPolarHBondContact O-CB 3.45Å; Q9-A12 PolarHBondContact O-N 2.87Å; A10-A12 PolarHBondContact O-N 3.29Å; A12-I63 HydrophobicContact CB-CD1 4.25Å
13K84.3Confident90.4Very high103 Ų10352.7 Ų52.745%0.44828%0.28SS..SBendtrans-71.9-48.5-170.8-171-179.3178.3175.60114.2A10 D11 R406A10-K13 VanDerWaalsContact O-CB 3.25Å; A10-K13 WeakPolarHBondContact O-CB 3.32Å; A10-K13 PolarHBondContact O-N 3.1Å; A10-K13 VanDerWaalsContact O-N 3.15Å; D11-K13 PolarHBondContact O-N 3.25Å; K13-R406 HydrophobicContact CG-CB 4.36Å; K13-R406 WeakPolarHBondContact CG-O 3.31Å; K13-R406 PolarHBondContact O-N 3.17Å
14N82.2Confident90.6Very high112 Ų11252.4 Ų52.460%0.59928%0.277SS*.SBendtrans-122.364-166.9-68.5-31.8000111.3
15L83.6Confident90.7Very high9 Ų945.7 Ų45.75%0.04725%0.246CC..  trans-105.49.9-176.6-59.4178.6000113.4L5 N17 S18 V20 Y61 I63L5-L15 HydrophobicContact CD1-CD1 4.25Å; L15-N17 PolarHBondContact O-N 3.3Å; L15-S18 PolarHBondContact O-N 3.3Å; L15-V20 HydrophobicContact CB-CG2 3.67Å; L15-V20 HydrophobicContact CD1-CG2 4.34Å; L15-Y61 HydrophobicContact CD1-CD1 4.13Å; L15-Y61 HydrophobicContact CD1-CD2 4.3Å; L15-Y61 HydrophobicContact CD1-CG 3.92Å; L15-Y61 HydrophobicContact CD2-CD1 4.13Å; L15-Y61 HydrophobicContact CD2-CD2 3.94Å; L15-Y61 HydrophobicContact CD2-CE1 3.92Å; L15-Y61 HydrophobicContact CD2-CE2 3.74Å; L15-Y61 HydrophobicContact CD2-CG 4.14Å; L15-I63 HydrophobicContact CD1-CD1 3.86Å
16G74.8Confident90.8Very high4 Ų446.1 Ų46.14%0.04125%0.249CC..THydrogen-bonded Turntrans-57.8-23.4-17000000115.8K42 G43 N405G16-K42 CarbonylContact O-C 3.55Å; G16-K42 WeakPolarHBondContact O-CA 3.38Å; G16-K42 PolarHBondContact O-N 2.94Å; G16-G43 PolarHBondContact O-N 2.73Å; G16-N405 PolarHBondContact N-OD1 2.75Å
17N84.3Confident91Very high144 Ų14444.6 Ų44.677%0.7724%0.24SC*.THydrogen-bonded Turntrans-89.8-11.5177.2-71.2-29.5000114.4L15L15-N17 PolarHBondContact O-N 3.3Å
18S92Very high91.2Very high28 Ų2843.8 Ų43.820%0.19624%0.237CC..SBendtrans-94.2161.5-177.9-53.80000110.9L15 V20 Y61L15-S18 PolarHBondContact O-N 3.3Å; S18-V20 PolarHBondContact O-N 3.26Å; S18-Y61 WeakPolarHBondContact OG-CE2 3.41Å
19L95.4Very high91.3Very high0 Ų042.7 Ų42.70%023%0.228CC..  trans-80.7108.8167179.464.4000109W39 E41 V46 I51 R57 P59 D60 Y61L19-W39 HydrophobicContact CD1-CE3 3.96Å; L19-W39 HydrophobicContact CD1-CZ3 4.32Å; L19-W39 HydrophobicContact CD2-CZ3 4.27Å; L19-W39 HydrophobicContact CG-CE3 4.36Å; L19-W39 HydrophobicContact CG-CZ3 4.25Å; L19-E41 HydrophobicContact CD1-CB 3.91Å; L19-V46 HydrophobicContact CD1-CG2 4.06Å; L19-I51 HydrophobicContact CD1-CD1 4.04Å; L19-I51 HydrophobicContact CD1-CG1 4.34Å; L19-I51 HydrophobicContact CD1-CG2 4.26Å; L19-I51 HydrophobicContact CD2-CD1 4.49Å; L19-I51 HydrophobicContact CD2-CG2 3.6Å; L19-R57 HydrophobicContact CD2-CB 4.17Å; L19-P59 HydrophobicContact CG-CB 4.37Å; L19-P59 CarbonylContact O-C 3.53Å; L19-D60 WeakPolarHBondContact CB-OD2 3.26Å; L19-D60 PolarHBondContact N-OD2 2.85Å; L19-D60 PolarHBondContact O-N 3.18Å; L19-Y61 PolarHBondContact O-N 2.59Å
20V96.8Very high91.3Very high1 Ų143.8 Ų43.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-113.2132-175.3-172.70000110.1L15 S18 Y22 W39 V40 Y61 I63L15-V20 HydrophobicContact CB-CG2 3.67Å; L15-V20 HydrophobicContact CD1-CG2 4.34Å; S18-V20 PolarHBondContact O-N 3.26Å; V20-Y22 HydrophobicContact CB-CE2 4.05Å; V20-Y22 HydrophobicContact CG1-CD2 4.08Å; V20-Y22 HydrophobicContact CG1-CE2 3.58Å; V20-W39 WeakPolarHBondContact O-CA 3.46Å; V20-V40 PolarHBondContact N-O 3.24Å; V20-V40 PolarHBondContact O-N 2.79Å; V20-Y61 WeakPolarHBondContact CA-O 3.48Å; V20-I63 HydrophobicContact CG1-CD1 3.47Å; V20-I63 VanDerWaalsContact CG1-CD1 3.47Å; V20-I63 HydrophobicContact CG1-CG1 3.85Å
21R96.6Very high91.6Very high72 Ų7243.4 Ų43.427%0.27222%0.218SC..EExtended strand (participates in β ladder)trans-109.7112172.2-177.9-165.7-175.5164.9-2.3109.6T23 D37 W39 P59 Y61 K62 I63R21-T23 HydrophobicContact CB-CG2 4.49Å; R21-T23 HydrophobicContact CG-CG2 3.49Å; R21-T23 VanDerWaalsContact CG-CG2 3.49Å; R21-D37 HydrophobicContact CG-CB 4.26Å; R21-D37 IonicContact CZ-OD2 3.92Å; R21-D37 IonicContact NE-OD2 3.33Å; R21-D37 PolarHBondContact NE-OD2 3.28Å; R21-D37 IonicContact NH2-OD2 2.63Å; R21-D37 PolarHBondContact NH2-OD2 3.18Å; R21-W39 HydrophobicContact CB-CD2 4.29Å; R21-W39 HydrophobicContact CB-CE3 4.35Å; R21-W39 HydrophobicContact CB-CH2 3.88Å; R21-W39 HydrophobicContact CB-CZ2 3.8Å; R21-W39 HydrophobicContact CB-CZ3 4.18Å; R21-W39 HydrophobicContact CG-CD2 4.23Å; R21-W39 HydrophobicContact CG-CH2 3.92Å; R21-W39 HydrophobicContact CG-CZ2 3.33Å; R21-P59 HydrophobicContact CB-CB 3.9Å; R21-P59 HydrophobicContact CB-CG 4.02Å; R21-Y61 PolarHBondContact N-O 2.91Å; R21-K62 CarbonylContact O-C 3.58Å; R21-K62 WeakPolarHBondContact O-CA 3.41Å; R21-I63 PolarHBondContact O-N 2.97Å
22Y97.6Very high91.9Very high0 Ų045 Ų450%022%0.216CC..EExtended strand (participates in β ladder)trans-85.9126.5170.6-61.4-97.3000108.7V20 D37 L38 V40 I63 F388 Y401V20-Y22 HydrophobicContact CB-CE2 4.05Å; V20-Y22 HydrophobicContact CG1-CD2 4.08Å; V20-Y22 HydrophobicContact CG1-CE2 3.58Å; Y22-D37 CarbonylContact O-C 3.59Å; Y22-D37 VanDerWaalsContact O-CA 3.24Å; Y22-D37 WeakPolarHBondContact O-CA 3.5Å; Y22-D37 WeakPolarHBondContact O-CB 3.41Å; Y22-L38 HydrophobicContact CD2-CB 4.38Å; Y22-L38 HydrophobicContact CD2-CD2 4.4Å; Y22-L38 HydrophobicContact CD2-CG 4.46Å; Y22-L38 PolarHBondContact N-O 2.93Å; Y22-L38 PolarHBondContact O-N 3.07Å; Y22-L38 VanDerWaalsContact O-N 3.07Å; Y22-V40 HydrophobicContact CD2-CG2 4.26Å; Y22-V40 HydrophobicContact CE2-CB 4.12Å; Y22-V40 HydrophobicContact CE2-CG2 3.83Å; Y22-I63 CarbonylContact C-O 3.6Å; Y22-I63 WeakPolarHBondContact CA-O 3.04Å; Y22-I63 HydrophobicContact CD1-CB 3.93Å; Y22-I63 HydrophobicContact CD1-CD1 4.08Å; Y22-I63 HydrophobicContact CD1-CG2 3.93Å; Y22-I63 HydrophobicContact CE1-CB 4.24Å; Y22-I63 HydrophobicContact CE1-CD1 3.5Å; Y22-I63 HydrophobicContact CE1-CG1 4.45Å; Y22-I63 HydrophobicContact CE1-CG2 4.19Å; Y22-F388 HydrophobicContact CD1-CE2 4.36Å; Y22-F388 HydrophobicContact CD1-CZ 4.36Å; Y22-F388 HydrophobicContact CD2-CZ 4.41Å; Y22-F388 HydrophobicContact CE1-CE2 4.02Å; Y22-F388 AromaticContact CE1-CZ 3.74Å; Y22-F388 HydrophobicContact CE1-CZ 3.74Å; Y22-F388 HydrophobicContact CE2-CE1 4.42Å; Y22-F388 AromaticContact CE2-CZ 3.82Å; Y22-F388 HydrophobicContact CE2-CZ 3.82Å; Y22-F388 AromaticContact CZ-CZ 3.46Å; Y22-F388 VanDerWaalsContact CZ-CZ 3.46Å; Y22-Y401 AromaticContact CE1-CE1 3.97Å; Y22-Y401 HydrophobicContact CE1-CE1 3.97Å; Y22-Y401 WeakPolarHBondContact OH-CE1 3.37Å
23T97.7Very high92.6Very high7 Ų747.2 Ų47.24%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-132.6166.7-170.5610000112R21 D37 K62 I63 C65R21-T23 HydrophobicContact CB-CG2 4.49Å; R21-T23 HydrophobicContact CG-CG2 3.49Å; R21-T23 VanDerWaalsContact CG-CG2 3.49Å; T23-D37 VanDerWaalsContact CA-OD1 3.28Å; T23-D37 WeakPolarHBondContact CA-OD1 3.42Å; T23-D37 HydrophobicContact CG2-CB 4.33Å; T23-D37 WeakPolarHBondContact CG2-OD2 3.46Å; T23-K62 HydrophobicContact CG2-CD 4.19Å; T23-K62 HydrophobicContact CG2-CG 3.88Å; T23-K62 WeakPolarHBondContact OG1-CE 3.08Å; T23-I63 PolarHBondContact N-O 3.11Å; T23-I63 PolarHBondContact OG1-O 3.22Å; T23-C65 VanDerWaalsContact O-CB 3.32Å; T23-C65 WeakPolarHBondContact O-CB 3.45Å; T23-C65 PolarHBondContact O-N 3.29Å
24N97.1Very high93.2Very high61 Ų6144.4 Ų44.433%0.32622%0.217SC..EExtended strand (participates in β ladder)trans58.753.5178.5-17041.8000110.1D64 C65 K66 Q67N24-D64 VanDerWaalsContact CB-OD1 3.29Å; N24-D64 WeakPolarHBondContact CB-OD1 3.48Å; N24-D64 PolarHBondContact ND2-OD1 2.82Å; N24-C65 CarbonylContact O-C 3.55Å; N24-K66 WeakPolarHBondContact ND2-CA 3.41Å; N24-K66 PolarHBondContact O-N 3.11Å; N24-Q67 VanDerWaalsContact O-CA 3.26Å; N24-Q67 WeakPolarHBondContact O-CA 3.46Å; N24-Q67 PolarHBondContact O-N 2.84Å; N24-Q67 PolarHBondContact OD1-NE2 3.27Å
25C97.6Very high93.8Very high8 Ų845.9 Ų45.95%0.05423%0.225CC..EExtended strand (participates in β ladder)trans-146.4162.9-176.852.70000110.9C65 L68 I70C25-C65 HydrophobicContact CB-CB 3.68Å; C25-L68 WeakPolarHBondContact CA-O 3.2Å; C25-L68 WeakPolarHBondContact CB-O 3.39Å; C25-I70 HydrophobicContact CB-CD1 3.85Å; C25-I70 HydrophobicContact CB-CG1 3.82Å; C25-I70 WeakPolarHBondContact SG-CD1 3.03Å
26T97.8Very high94.4Very high22 Ų2249.6 Ų49.614%0.13524%0.242CC..EExtended strand (participates in β ladder)trans-108.9117.8168.2-58.90000109.2F33 D35 L68 F69 I70T26-F33 HydrophobicContact CG2-CB 3.56Å; T26-F33 HydrophobicContact CG2-CD1 3.93Å; T26-F33 HydrophobicContact CG2-CG 3.92Å; T26-D35 PolarHBondContact OG1-OD1 2.99Å; T26-L68 PolarHBondContact N-O 3.11Å; T26-F69 HydrophobicContact CG2-CD1 3.9Å; T26-F69 HydrophobicContact CG2-CE1 3.91Å; T26-F69 CarbonylContact O-C 3.56Å; T26-F69 VanDerWaalsContact O-CA 3.26Å; T26-F69 WeakPolarHBondContact O-CA 3.39Å; T26-I70 PolarHBondContact O-N 2.79Å
27L97.8Very high95.4Very high0 Ų051.3 Ų51.30%025%0.251CS..EExtended strand (participates in β ladder)trans-96.6129.6-170.9178.965.7000111.5R29 F33 V34 E36 L38 I70 L380L27-R29 HydrophobicContact CD2-CB 4.4Å; L27-R29 HydrophobicContact CG-CB 4.35Å; L27-R29 PolarHBondContact O-N 3.44Å; L27-F33 CarbonylContact O-C 3.59Å; L27-F33 WeakPolarHBondContact O-CA 3.19Å; L27-V34 HydrophobicContact CB-CG2 4.29Å; L27-V34 PolarHBondContact N-O 3.47Å; L27-V34 WeakPolarHBondContact O-CG2 3.15Å; L27-V34 PolarHBondContact O-N 3.41Å; L27-E36 HydrophobicContact CD2-CB 4.32Å; L27-L38 HydrophobicContact CD1-CB 4.32Å; L27-L38 HydrophobicContact CD1-CD1 4.36Å; L27-L38 HydrophobicContact CD2-CD1 4.45Å; L27-I70 HydrophobicContact CD1-CB 3.72Å; L27-I70 HydrophobicContact CD1-CG2 3.66Å; L27-L380 HydrophobicContact CD1-CB 4.27Å; L27-L380 HydrophobicContact CD1-CD1 3.42Å; L27-L380 VanDerWaalsContact CD1-CD1 3.42Å; L27-L380 HydrophobicContact CD1-CG 4.47Å
28L97.9Very high96Very high4 Ų444.5 Ų44.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-79.2104.2169.6-175.961.5000109.9Y32 F33 I70 A71 E357 L360L28-Y32 WeakPolarHBondContact CA-O 3.44Å; L28-F33 HydrophobicContact CB-CD1 3.92Å; L28-F33 HydrophobicContact CB-CE1 3.75Å; L28-F33 HydrophobicContact CD1-CD1 4.25Å; L28-F33 HydrophobicContact CD1-CE1 4.32Å; L28-I70 PolarHBondContact N-O 3.29Å; L28-A71 HydrophobicContact CB-CB 4.18Å; L28-A71 HydrophobicContact CD2-CB 4.05Å; L28-E357 HydrophobicContact CD1-CB 3.95Å; L28-E357 HydrophobicContact CD1-CG 4Å; L28-L360 HydrophobicContact CD2-CB 3.53Å; L28-L360 HydrophobicContact CD2-CD1 4.03Å; L28-L360 HydrophobicContact CD2-CG 4.43Å
29R94.1Very high96.3Very high42 Ų4243.6 Ų43.616%0.15821%0.206CC..EExtended strand (participates in β ladder)trans-134.2139.4-179.4-174.5176.9-72.5-117.70.5110.1L27 R31 Y32 V34 E36 L380L27-R29 HydrophobicContact CD2-CB 4.4Å; L27-R29 HydrophobicContact CG-CB 4.35Å; L27-R29 PolarHBondContact O-N 3.44Å; R29-R31 PolarHBondContact O-N 2.99Å; R29-R31 VanDerWaalsContact O-N 3.14Å; R29-Y32 PolarHBondContact N-O 3.08Å; R29-Y32 PolarHBondContact O-N 3.3Å; R29-V34 HydrophobicContact CB-CG2 3.99Å; R29-E36 WeakPolarHBondContact CD-OE2 3.42Å; R29-E36 IonicContact CZ-OE2 3.97Å; R29-E36 IonicContact NE-OE2 3.37Å; R29-E36 PolarHBondContact NE-OE2 3.05Å; R29-L380 PolarHBondContact NE-O 2.96Å; R29-L380 PolarHBondContact NH2-O 2.81Å; R29-L380 VanDerWaalsContact NH2-O 3.15Å
30N90.8Very high96.3Very high104 Ų10443.6 Ų43.656%0.55621%0.207SC*.THydrogen-bonded Turntrans52.137.5-179.7-59.3-29.9000113.9Y32 Q381N30-Y32 VanDerWaalsContact C-N 3.3Å; N30-Y32 WeakPolarHBondContact O-CD2 3.35Å; N30-Y32 PolarHBondContact O-N 2.73Å; N30-Q381 PolarHBondContact OD1-NE2 2.91Å
31R93.9Very high96.2Very high72 Ų7244.9 Ų44.927%0.27221%0.212SC..THydrogen-bonded Turntrans76.3-2.1-177.9-53.5171.7173-93-1116R29 N361 L365 H366 E369R29-R31 PolarHBondContact O-N 2.99Å; R29-R31 VanDerWaalsContact O-N 3.14Å; R31-N361 PolarHBondContact O-ND2 2.99Å; R31-L365 HydrophobicContact CG-CD2 3.53Å; R31-H366 PolarHBondContact NH1-NE2 3.11Å; R31-H366 VanDerWaalsContact NH1-NE2 3.11Å; R31-E369 IonicContact CZ-OE1 2.63Å; R31-E369 VanDerWaalsContact NH2-CD 3.32Å; R31-E369 IonicContact NH2-OE1 2.68Å; R31-E369 PolarHBondContact NH2-OE1 2.87Å; R31-E369 IonicContact NH2-OE2 3.03Å; R31-E369 PolarHBondContact NH2-OE2 3.03Å
32Y95.2Very high96.1Very high151 Ų15148.5 Ų48.559%0.59223%0.23SC*.EExtended strand (participates in β ladder)trans-127.5154.5-178.1-55-78.7000112.7L28 R29 N30 E357L28-Y32 WeakPolarHBondContact CA-O 3.44Å; R29-Y32 PolarHBondContact N-O 3.08Å; R29-Y32 PolarHBondContact O-N 3.3Å; N30-Y32 VanDerWaalsContact C-N 3.3Å; N30-Y32 WeakPolarHBondContact O-CD2 3.35Å; N30-Y32 PolarHBondContact O-N 2.73Å; Y32-E357 WeakPolarHBondContact CA-OE1 3.34Å
33F96.8Very high95.9Very high47 Ų4748.9 Ų48.921%0.20623%0.234CC..EExtended strand (participates in β ladder)trans-75.7130.7170.8-79.2-48.2000110.8T26 L27 L28 F69 E357 L360T26-F33 HydrophobicContact CG2-CB 3.56Å; T26-F33 HydrophobicContact CG2-CD1 3.93Å; T26-F33 HydrophobicContact CG2-CG 3.92Å; L27-F33 CarbonylContact O-C 3.59Å; L27-F33 WeakPolarHBondContact O-CA 3.19Å; L28-F33 HydrophobicContact CB-CD1 3.92Å; L28-F33 HydrophobicContact CB-CE1 3.75Å; L28-F33 HydrophobicContact CD1-CD1 4.25Å; L28-F33 HydrophobicContact CD1-CE1 4.32Å; F33-F69 AromaticContact CD1-CD1 3.77Å; F33-F69 HydrophobicContact CD1-CD1 3.77Å; F33-F69 HydrophobicContact CD1-CE1 4.34Å; F33-F69 HydrophobicContact CD2-CD1 4.22Å; F33-F69 HydrophobicContact CD2-CE1 4.1Å; F33-F69 HydrophobicContact CE1-CB 4.1Å; F33-F69 AromaticContact CE1-CD1 3.49Å; F33-F69 HydrophobicContact CE1-CD1 3.49Å; F33-F69 VanDerWaalsContact CE1-CD1 3.49Å; F33-F69 HydrophobicContact CE1-CE1 4.3Å; F33-F69 HydrophobicContact CE1-CG 4.12Å; F33-F69 AromaticContact CE2-CD1 3.98Å; F33-F69 HydrophobicContact CE2-CD1 3.98Å; F33-F69 HydrophobicContact CE2-CE1 4.06Å; F33-F69 HydrophobicContact CG-CD1 4.15Å; F33-F69 HydrophobicContact CG-CE1 4.26Å; F33-F69 HydrophobicContact CZ-CB 4.37Å; F33-F69 AromaticContact CZ-CD1 3.61Å; F33-F69 HydrophobicContact CZ-CD1 3.61Å; F33-F69 HydrophobicContact CZ-CE1 4.16Å; F33-F69 HydrophobicContact CZ-CG 4.12Å; F33-E357 HydrophobicContact CB-CG 4.35Å; F33-E357 HydrophobicContact CD2-CG 3.18Å; F33-E357 HydrophobicContact CE2-CB 4.48Å; F33-E357 HydrophobicContact CE2-CG 3.47Å; F33-E357 VanDerWaalsContact CE2-CG 3.47Å; F33-E357 HydrophobicContact CG-CG 3.81Å; F33-E357 HydrophobicContact CZ-CG 4.31Å; F33-E357 PolarHBondContact N-OE1 3.01Å; F33-L360 HydrophobicContact CE1-CD1 4.24Å; F33-L360 HydrophobicContact CZ-CD1 3.6Å
34V96.9Very high95.8Very high45 Ų4552.1 Ų52.127%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-134.3147.2178.3-62.70000110.5L27 R29 E36L27-V34 HydrophobicContact CB-CG2 4.29Å; L27-V34 PolarHBondContact N-O 3.47Å; L27-V34 WeakPolarHBondContact O-CG2 3.15Å; L27-V34 PolarHBondContact O-N 3.41Å; R29-V34 HydrophobicContact CB-CG2 3.99Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 HydrophobicContact CB-CG 4.22Å; V34-E36 HydrophobicContact CG2-CB 4.02Å; V34-E36 HydrophobicContact CG2-CG 3.77Å; V34-E36 PolarHBondContact O-N 2.9Å
35D95.6Very high95.8Very high143 Ų14349.3 Ų49.377%0.76523%0.232SC*.SBendtrans-83.673.8175.8-65.3-30.2000110T26T26-D35 PolarHBondContact OG1-OD1 2.99Å
36E95.3Very high95.7Very high86 Ų8650.3 Ų50.340%0.40224%0.238SC..  trans-128.2148.4178.9-66.9-179.6-176.800111L27 R29 V34L27-E36 HydrophobicContact CD2-CB 4.32Å; R29-E36 WeakPolarHBondContact CD-OE2 3.42Å; R29-E36 IonicContact CZ-OE2 3.97Å; R29-E36 IonicContact NE-OE2 3.37Å; R29-E36 PolarHBondContact NE-OE2 3.05Å; V34-E36 VanDerWaalsContact C-N 3.26Å; V34-E36 HydrophobicContact CB-CG 4.22Å; V34-E36 HydrophobicContact CG2-CB 4.02Å; V34-E36 HydrophobicContact CG2-CG 3.77Å; V34-E36 PolarHBondContact O-N 2.9Å
37D96.4Very high95.6Very high41 Ų4152.6 Ų52.622%0.21925%0.249CC..  trans-77.8144171.7-66.3-20.8000110.9R21 Y22 T23R21-D37 HydrophobicContact CG-CB 4.26Å; R21-D37 IonicContact CZ-OD2 3.92Å; R21-D37 IonicContact NE-OD2 3.33Å; R21-D37 PolarHBondContact NE-OD2 3.28Å; R21-D37 IonicContact NH2-OD2 2.63Å; R21-D37 PolarHBondContact NH2-OD2 3.18Å; Y22-D37 CarbonylContact O-C 3.59Å; Y22-D37 VanDerWaalsContact O-CA 3.24Å; Y22-D37 WeakPolarHBondContact O-CA 3.5Å; Y22-D37 WeakPolarHBondContact O-CB 3.41Å; T23-D37 VanDerWaalsContact CA-OD1 3.28Å; T23-D37 WeakPolarHBondContact CA-OD1 3.42Å; T23-D37 HydrophobicContact CG2-CB 4.33Å; T23-D37 WeakPolarHBondContact CG2-OD2 3.46Å
38L97.4Very high95.2Very high0 Ų054 Ų540%026%0.261CS..EExtended strand (participates in β ladder)trans-92133171-179.269.2000110.4Y22 L27 V40 V45 I70 L380 F388Y22-L38 HydrophobicContact CD2-CB 4.38Å; Y22-L38 HydrophobicContact CD2-CD2 4.4Å; Y22-L38 HydrophobicContact CD2-CG 4.46Å; Y22-L38 PolarHBondContact N-O 2.93Å; Y22-L38 PolarHBondContact O-N 3.07Å; Y22-L38 VanDerWaalsContact O-N 3.07Å; L27-L38 HydrophobicContact CD1-CB 4.32Å; L27-L38 HydrophobicContact CD1-CD1 4.36Å; L27-L38 HydrophobicContact CD2-CD1 4.45Å; L38-V40 HydrophobicContact CD2-CG2 4.04Å; L38-V40 HydrophobicContact CG-CG2 4.05Å; L38-V45 HydrophobicContact CD1-CG1 3.81Å; L38-V45 HydrophobicContact CD1-CG2 4.1Å; L38-I70 HydrophobicContact CB-CD1 4.15Å; L38-I70 HydrophobicContact CD2-CG2 4.04Å; L38-L380 HydrophobicContact CD1-CB 4.18Å; L38-L380 HydrophobicContact CD2-CD1 4.46Å; L38-F388 HydrophobicContact CD2-CD1 3.85Å; L38-F388 HydrophobicContact CD2-CD2 4.31Å; L38-F388 HydrophobicContact CD2-CE1 3.97Å; L38-F388 HydrophobicContact CD2-CE2 4.39Å; L38-F388 HydrophobicContact CD2-CG 4.04Å; L38-F388 HydrophobicContact CD2-CZ 4.24Å
39W97.2Very high94.8Very high9 Ų959 Ų593%0.03429%0.287CS..EExtended strand (participates in β ladder)trans-112.8127.8177.6-71.772.1000110.4L19 V20 R21 V45 V46 A48 I51 F52 P59L19-W39 HydrophobicContact CD1-CE3 3.96Å; L19-W39 HydrophobicContact CD1-CZ3 4.32Å; L19-W39 HydrophobicContact CD2-CZ3 4.27Å; L19-W39 HydrophobicContact CG-CE3 4.36Å; L19-W39 HydrophobicContact CG-CZ3 4.25Å; V20-W39 WeakPolarHBondContact O-CA 3.46Å; R21-W39 HydrophobicContact CB-CD2 4.29Å; R21-W39 HydrophobicContact CB-CE3 4.35Å; R21-W39 HydrophobicContact CB-CH2 3.88Å; R21-W39 HydrophobicContact CB-CZ2 3.8Å; R21-W39 HydrophobicContact CB-CZ3 4.18Å; R21-W39 HydrophobicContact CG-CD2 4.23Å; R21-W39 HydrophobicContact CG-CH2 3.92Å; R21-W39 HydrophobicContact CG-CZ2 3.33Å; W39-V45 WeakPolarHBondContact O-CA 3.35Å; W39-V46 HydrophobicContact CB-CG2 3.64Å; W39-V46 PolarHBondContact O-N 3.33Å; W39-A48 VanDerWaalsContact CD1-CB 3.5Å; W39-A48 HydrophobicContact CD2-CB 4.14Å; W39-A48 HydrophobicContact CG-CB 3.91Å; W39-I51 HydrophobicContact CE3-CG2 4.06Å; W39-I51 HydrophobicContact CZ3-CG2 3.83Å; W39-F52 AromaticContact CE2-CE2 3.73Å; W39-F52 HydrophobicContact CH2-CD1 4.45Å; W39-F52 HydrophobicContact CH2-CD2 4.15Å; W39-F52 AromaticContact CH2-CE1 3.61Å; W39-F52 HydrophobicContact CH2-CE1 3.61Å; W39-F52 AromaticContact CH2-CE2 3.26Å; W39-F52 HydrophobicContact CH2-CE2 3.26Å; W39-F52 AromaticContact CH2-CZ 2.96Å; W39-F52 HydrophobicContact CH2-CZ 2.96Å; W39-F52 HydrophobicContact CZ2-CD2 4.01Å; W39-F52 HydrophobicContact CZ2-CE1 4.13Å; W39-F52 AromaticContact CZ2-CE2 2.94Å; W39-F52 HydrophobicContact CZ2-CE2 2.94Å; W39-F52 AromaticContact CZ2-CZ 3.04Å; W39-F52 HydrophobicContact CZ2-CZ 3.04Å; W39-F52 HydrophobicContact CZ3-CE1 4.49Å; W39-F52 HydrophobicContact CZ3-CE2 4.24Å; W39-F52 HydrophobicContact CZ3-CZ 4.1Å; W39-P59 HydrophobicContact CH2-CB 4.05Å; W39-P59 HydrophobicContact CH2-CG 3.83Å; W39-P59 HydrophobicContact CZ3-CB 3.85Å; W39-P59 HydrophobicContact CZ3-CG 4.15Å
40V96.4Very high94.5Very high1 Ų159.6 Ų59.61%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-131.5135.7-177.3176.60000110.2V20 Y22 L38 K44 A386 F388V20-V40 PolarHBondContact N-O 3.24Å; V20-V40 PolarHBondContact O-N 2.79Å; Y22-V40 HydrophobicContact CD2-CG2 4.26Å; Y22-V40 HydrophobicContact CE2-CB 4.12Å; Y22-V40 HydrophobicContact CE2-CG2 3.83Å; L38-V40 HydrophobicContact CD2-CG2 4.04Å; L38-V40 HydrophobicContact CG-CG2 4.05Å; V40-K44 CarbonylContact C-O 3.57Å; V40-K44 VanDerWaalsContact CA-O 3.26Å; V40-K44 WeakPolarHBondContact CA-O 3.38Å; V40-A386 HydrophobicContact CB-CB 4.23Å; V40-A386 HydrophobicContact CG1-CB 3.42Å; V40-A386 VanDerWaalsContact CG1-CB 3.42Å; V40-A386 HydrophobicContact CG2-CB 3.74Å; V40-F388 HydrophobicContact CG2-CE1 4.24Å
41E95Very high94.3Very high27 Ų2754.8 Ų54.813%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-147.3136.9170.8178172.7-145.200110L19 G43 K44 V46 R57L19-E41 HydrophobicContact CD1-CB 3.91Å; E41-G43 PolarHBondContact O-N 3.4Å; E41-K44 PolarHBondContact N-O 3.38Å; E41-K44 PolarHBondContact O-N 2.78Å; E41-V46 HydrophobicContact CB-CG1 3.93Å; E41-V46 HydrophobicContact CB-CG2 4.44Å; E41-R57 VanDerWaalsContact CD-NH1 3.34Å; E41-R57 IonicContact OE1-CZ 3.36Å; E41-R57 VanDerWaalsContact OE1-CZ 3.28Å; E41-R57 IonicContact OE1-NH1 3.94Å; E41-R57 PolarHBondContact OE1-NH1 2.96Å; E41-R57 IonicContact OE1-NH2 3.05Å; E41-R57 PolarHBondContact OE1-NH2 3.49Å; E41-R57 IonicContact OE2-CZ 3.87Å; E41-R57 IonicContact OE2-NH1 2.66Å; E41-R57 PolarHBondContact OE2-NH1 2.53Å; E41-R57 IonicContact OE2-NH2 2.72Å
42K93.6Very high93.9Very high149 Ų14954.1 Ų54.165%0.64827%0.267SS*.THydrogen-bonded Turntrans50.943.9176.6-64.9170.1-174.5175.50112.4G16 K44G16-K42 CarbonylContact O-C 3.55Å; G16-K42 WeakPolarHBondContact O-CA 3.38Å; G16-K42 PolarHBondContact O-N 2.94Å; K42-K44 PolarHBondContact O-N 2.91Å
43G93.4Very high93.3Very high7 Ų755.4 Ų55.47%0.07227%0.272CS..THydrogen-bonded Turntrans67.913.1-179.100000116.3G16 E41 A386 E403G16-G43 PolarHBondContact O-N 2.73Å; E41-G43 PolarHBondContact O-N 3.4Å; G43-A386 WeakPolarHBondContact O-CB 3.42Å; G43-A386 PolarHBondContact O-N 2.97Å; G43-E403 VanDerWaalsContact CA-C 3.44Å; G43-E403 WeakPolarHBondContact CA-O 3.33Å
44K95.9Very high92.7Very high76 Ų7660.2 Ų60.233%0.3330%0.295SS..EExtended strand (participates in β ladder)trans-119.6147.8178.8-62.1-62.2-170.2165.70111.6V40 E41 K42 C384 D385V40-K44 CarbonylContact C-O 3.57Å; V40-K44 VanDerWaalsContact CA-O 3.26Å; V40-K44 WeakPolarHBondContact CA-O 3.38Å; E41-K44 PolarHBondContact N-O 3.38Å; E41-K44 PolarHBondContact O-N 2.78Å; K42-K44 PolarHBondContact O-N 2.91Å; K44-C384 CarbonylContact C-O 3.42Å; K44-C384 WeakPolarHBondContact CA-O 3.38Å; K44-C384 WeakPolarHBondContact CD-O 3.47Å; K44-D385 IonicContact NZ-OD1 3.9Å; K44-D385 PolarHBondContact NZ-OD1 3.17Å
45V96.9Very high92.3Very high1 Ų162.2 Ų62.21%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-68.7134.3164.2-179.70000108.3L38 W39 L380 Q381 P382 G383 C384 A386L38-V45 HydrophobicContact CD1-CG1 3.81Å; L38-V45 HydrophobicContact CD1-CG2 4.1Å; W39-V45 WeakPolarHBondContact O-CA 3.35Å; V45-L380 HydrophobicContact CG2-CD2 4.09Å; V45-Q381 WeakPolarHBondContact CB-O 3.26Å; V45-P382 CarbonylContact O-C 3.56Å; V45-P382 WeakPolarHBondContact O-CA 3.07Å; V45-G383 PolarHBondContact O-N 3.4Å; V45-C384 PolarHBondContact N-O 2.85Å; V45-A386 HydrophobicContact CG2-CB 4.35Å
46V96.5Very high91.9Very high29 Ų2963.8 Ų63.818%0.17630%0.301CS..  trans-120.1159.7178.7-61.30000111.5L19 W39 E41 I51L19-V46 HydrophobicContact CD1-CG2 4.06Å; W39-V46 HydrophobicContact CB-CG2 3.64Å; W39-V46 PolarHBondContact O-N 3.33Å; E41-V46 HydrophobicContact CB-CG1 3.93Å; E41-V46 HydrophobicContact CB-CG2 4.44Å; V46-I51 HydrophobicContact CB-CD1 4.47Å; V46-I51 HydrophobicContact CB-CG1 4.29Å; V46-I51 HydrophobicContact CG2-CD1 4.15Å; V46-I51 HydrophobicContact CG2-CG1 3.82Å
47D94.6Very high91.8Very high70 Ų7063.2 Ų63.237%0.37430%0.296SS..  trans-82117.8177.1-174.8-8000110.5L49 N50 I51 P382D47-L49 VanDerWaalsContact C-N 3.26Å; D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 WeakPolarHBondContact OD1-CB 3.49Å; D47-L49 PolarHBondContact OD1-N 3.23Å; D47-N50 HydrophobicContact CB-CB 4.08Å; D47-N50 PolarHBondContact O-N 2.97Å; D47-I51 VanDerWaalsContact O-CG1 3.29Å; D47-I51 WeakPolarHBondContact O-CG1 3.25Å; D47-I51 PolarHBondContact O-N 3.38Å; D47-P382 HydrophobicContact CB-CB 4.12Å; D47-P382 HydrophobicContact CB-CG 3.8Å
48A90Very high91.5Very high29 Ų2967.4 Ų67.424%0.2432%0.316CS..Hα-helixtrans-57.2-39.1177.700000112.4W39 I51 F52W39-A48 VanDerWaalsContact CD1-CB 3.5Å; W39-A48 HydrophobicContact CD2-CB 4.14Å; W39-A48 HydrophobicContact CG-CB 3.91Å; A48-I51 PolarHBondContact O-N 3.23Å; A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 WeakPolarHBondContact O-CB 3.36Å; A48-F52 WeakPolarHBondContact O-CD2 2.9Å; A48-F52 PolarHBondContact O-N 3.33Å
49L88.2Confident91.4Very high110 Ų11067.8 Ų67.858%0.57632%0.318SS*.Hα-helixtrans-64.9-46.5-178.1-67.5177.2000110.9D47 Y53D47-L49 VanDerWaalsContact C-N 3.26Å; D47-L49 PolarHBondContact O-N 3.13Å; D47-L49 WeakPolarHBondContact OD1-CB 3.49Å; D47-L49 PolarHBondContact OD1-N 3.23Å; L49-Y53 HydrophobicContact CB-CD2 4.37Å; L49-Y53 HydrophobicContact CD2-CD2 3.9Å; L49-Y53 HydrophobicContact CD2-CE2 3.61Å; L49-Y53 VanDerWaalsContact O-CB 3.31Å; L49-Y53 WeakPolarHBondContact O-CB 3.45Å; L49-Y53 WeakPolarHBondContact O-CD2 3.41Å; L49-Y53 PolarHBondContact O-N 3.33Å
50N88.4Confident91.3Very high55 Ų5570.8 Ų70.829%0.29434%0.335SS..Iπ-helixtrans-60.7-49.3175.6-179.2-16.4000111.2D47 F52 E54 Q55D47-N50 HydrophobicContact CB-CB 4.08Å; D47-N50 PolarHBondContact O-N 2.97Å; N50-F52 PolarHBondContact O-N 2.93Å; N50-E54 VanDerWaalsContact CG-OE2 3.28Å; N50-E54 WeakPolarHBondContact O-CA 3.37Å; N50-E54 WeakPolarHBondContact O-CB 3.03Å; N50-E54 PolarHBondContact O-N 3.03Å; N50-E54 PolarHBondContact OD1-OE2 2.73Å; N50-Q55 PolarHBondContact O-N 3.38Å; N50-Q55 PolarHBondContact OD1-NE2 2.89Å
51I87.3Confident91.3Very high3 Ų373.8 Ų73.82%0.01535%0.346CS..Iπ-helixtrans-57.1-47-179.1-68.6-68.4000112.1L19 W39 V46 D47 A48 Q55 K56 R57L19-I51 HydrophobicContact CD1-CD1 4.04Å; L19-I51 HydrophobicContact CD1-CG1 4.34Å; L19-I51 HydrophobicContact CD1-CG2 4.26Å; L19-I51 HydrophobicContact CD2-CD1 4.49Å; L19-I51 HydrophobicContact CD2-CG2 3.6Å; W39-I51 HydrophobicContact CE3-CG2 4.06Å; W39-I51 HydrophobicContact CZ3-CG2 3.83Å; V46-I51 HydrophobicContact CB-CD1 4.47Å; V46-I51 HydrophobicContact CB-CG1 4.29Å; V46-I51 HydrophobicContact CG2-CD1 4.15Å; V46-I51 HydrophobicContact CG2-CG1 3.82Å; D47-I51 VanDerWaalsContact O-CG1 3.29Å; D47-I51 WeakPolarHBondContact O-CG1 3.25Å; D47-I51 PolarHBondContact O-N 3.38Å; A48-I51 PolarHBondContact O-N 3.23Å; I51-Q55 WeakPolarHBondContact O-CB 3.49Å; I51-K56 PolarHBondContact O-N 3.33Å; I51-R57 HydrophobicContact CG2-CB 4.24Å; I51-R57 PolarHBondContact O-N 3.45Å
52F84.8Confident91.4Very high58 Ų5876 Ų7625%0.25436%0.356SS..Iπ-helixtrans-80.7-47.2-176.4-77-61.1000113.9W39 A48 N50 K56 R57 M58W39-F52 AromaticContact CE2-CE2 3.73Å; W39-F52 HydrophobicContact CH2-CD1 4.45Å; W39-F52 HydrophobicContact CH2-CD2 4.15Å; W39-F52 AromaticContact CH2-CE1 3.61Å; W39-F52 HydrophobicContact CH2-CE1 3.61Å; W39-F52 AromaticContact CH2-CE2 3.26Å; W39-F52 HydrophobicContact CH2-CE2 3.26Å; W39-F52 AromaticContact CH2-CZ 2.96Å; W39-F52 HydrophobicContact CH2-CZ 2.96Å; W39-F52 HydrophobicContact CZ2-CD2 4.01Å; W39-F52 HydrophobicContact CZ2-CE1 4.13Å; W39-F52 AromaticContact CZ2-CE2 2.94Å; W39-F52 HydrophobicContact CZ2-CE2 2.94Å; W39-F52 AromaticContact CZ2-CZ 3.04Å; W39-F52 HydrophobicContact CZ2-CZ 3.04Å; W39-F52 HydrophobicContact CZ3-CE1 4.49Å; W39-F52 HydrophobicContact CZ3-CE2 4.24Å; W39-F52 HydrophobicContact CZ3-CZ 4.1Å; A48-F52 HydrophobicContact CB-CD2 4.46Å; A48-F52 WeakPolarHBondContact O-CB 3.36Å; A48-F52 WeakPolarHBondContact O-CD2 2.9Å; A48-F52 PolarHBondContact O-N 3.33Å; N50-F52 PolarHBondContact O-N 2.93Å; F52-K56 VanDerWaalsContact O-CA 3.32Å; F52-K56 WeakPolarHBondContact O-CA 3.41Å; F52-K56 PolarHBondContact O-N 2.98Å; F52-R57 WeakPolarHBondContact CD1-O 3.3Å; F52-M58 HydrophobicContact CD1-CE 4.48Å; F52-M58 HydrophobicContact CD1-SD 4.4Å; F52-M58 HydrophobicContact CE1-SD 3.95Å
53Y83Confident91.5Very high178 Ų17869 Ų6970%0.69833%0.325SS*.Iπ-helixtrans-87.5-43.9-170.8-68.9-76.3000112.3L49L49-Y53 HydrophobicContact CB-CD2 4.37Å; L49-Y53 HydrophobicContact CD2-CD2 3.9Å; L49-Y53 HydrophobicContact CD2-CE2 3.61Å; L49-Y53 VanDerWaalsContact O-CB 3.31Å; L49-Y53 WeakPolarHBondContact O-CB 3.45Å; L49-Y53 WeakPolarHBondContact O-CD2 3.41Å; L49-Y53 PolarHBondContact O-N 3.33Å
54E84.1Confident91.7Very high148 Ų14871.1 Ų71.169%0.69234%0.335SS*.Iπ-helixtrans-85.3-50.4-176.2-58.4-175.4167.300111N50N50-E54 VanDerWaalsContact CG-OE2 3.28Å; N50-E54 WeakPolarHBondContact O-CA 3.37Å; N50-E54 WeakPolarHBondContact O-CB 3.03Å; N50-E54 PolarHBondContact O-N 3.03Å; N50-E54 PolarHBondContact OD1-OE2 2.73Å
55Q88.6Confident91.8Very high86 Ų8667.5 Ų67.540%0.40232%0.319SS..SBendtrans-84.5-16.7-177.1-59.1177.736.700113.2N50 I51 R57N50-Q55 PolarHBondContact O-N 3.38Å; N50-Q55 PolarHBondContact OD1-NE2 2.89Å; I51-Q55 WeakPolarHBondContact O-CB 3.49Å; Q55-R57 HydrophobicContact CB-CG 4.01Å; Q55-R57 PolarHBondContact O-N 2.86Å
56K87.9Confident91.7Very high176 Ų17672.4 Ų72.477%0.76534%0.34SS*.  trans54.235.9-177.9-56.5-177.3-178.9178.80113I51 F52I51-K56 PolarHBondContact O-N 3.33Å; F52-K56 VanDerWaalsContact O-CA 3.32Å; F52-K56 WeakPolarHBondContact O-CA 3.41Å; F52-K56 PolarHBondContact O-N 2.98Å
57R92Very high91.7Very high75 Ų7576.8 Ų76.828%0.28336%0.359SS..PPolyproline II helixtrans-97.8143.4-179.6-69.9172.364.6-155-0.3110.5L19 E41 I51 F52 Q55L19-R57 HydrophobicContact CD2-CB 4.17Å; E41-R57 VanDerWaalsContact CD-NH1 3.34Å; E41-R57 IonicContact OE1-CZ 3.36Å; E41-R57 VanDerWaalsContact OE1-CZ 3.28Å; E41-R57 IonicContact OE1-NH1 3.94Å; E41-R57 PolarHBondContact OE1-NH1 2.96Å; E41-R57 IonicContact OE1-NH2 3.05Å; E41-R57 PolarHBondContact OE1-NH2 3.49Å; E41-R57 IonicContact OE2-CZ 3.87Å; E41-R57 IonicContact OE2-NH1 2.66Å; E41-R57 PolarHBondContact OE2-NH1 2.53Å; E41-R57 IonicContact OE2-NH2 2.72Å; I51-R57 HydrophobicContact CG2-CB 4.24Å; I51-R57 PolarHBondContact O-N 3.45Å; F52-R57 WeakPolarHBondContact CD1-O 3.3Å; Q55-R57 HydrophobicContact CB-CG 4.01Å; Q55-R57 PolarHBondContact O-N 2.86Å
58M91Very high91.9Very high129 Ų12974.3 Ų74.364%0.63535%0.346SS*.PPolyproline II helixtrans-97152.3166.1-67.9-65.3155.700108.6V2 F52V2-M58 HydrophobicContact CG2-CB 4.22Å; F52-M58 HydrophobicContact CD1-CE 4.48Å; F52-M58 HydrophobicContact CD1-SD 4.4Å; F52-M58 HydrophobicContact CE1-SD 3.95Å
59P94.3Very high92.3Very high8 Ų874.6 Ų74.65%0.05234%0.342CS..PPolyproline II helixtrans-66.4144.9176.228.6-31.6000109.9V2 L19 R21 W39 Y61V2-P59 HydrophobicContact CG1-CG 4.04Å; V2-P59 HydrophobicContact CG2-CG 4.42Å; V2-P59 WeakPolarHBondContact CG2-O 3.45Å; L19-P59 HydrophobicContact CG-CB 4.37Å; L19-P59 CarbonylContact O-C 3.53Å; R21-P59 HydrophobicContact CB-CB 3.9Å; R21-P59 HydrophobicContact CB-CG 4.02Å; W39-P59 HydrophobicContact CH2-CB 4.05Å; W39-P59 HydrophobicContact CH2-CG 3.83Å; W39-P59 HydrophobicContact CZ3-CB 3.85Å; W39-P59 HydrophobicContact CZ3-CG 4.15Å; P59-Y61 VanDerWaalsContact C-N 3.31Å
60D94.8Very high92.8Very high71 Ų7169.4 Ų69.438%0.3831%0.314SS..SBendtrans-67.8-40.5172-58.4-57000109.5V3 L19V3-D60 PolarHBondContact N-O 3.06Å; L19-D60 WeakPolarHBondContact CB-OD2 3.26Å; L19-D60 PolarHBondContact N-OD2 2.85Å; L19-D60 PolarHBondContact O-N 3.18Å
61Y96.6Very high93.3Very high65 Ų6566.8 Ų66.826%0.25530%0.3SS..EExtended strand (participates in β ladder)trans-129.1138.4-179.8-59.2-92.4000111.8V3 L5 L15 S18 L19 V20 R21 P59V3-Y61 HydrophobicContact CB-CD1 3.65Å; V3-Y61 HydrophobicContact CB-CE1 3.86Å; V3-Y61 HydrophobicContact CG1-CD1 3.93Å; V3-Y61 HydrophobicContact CG1-CE1 4.02Å; V3-Y61 HydrophobicContact CG2-CD1 4.35Å; V3-Y61 HydrophobicContact CG2-CE1 4.12Å; V3-Y61 CarbonylContact O-C 3.57Å; V3-Y61 WeakPolarHBondContact O-CA 3.21Å; L5-Y61 HydrophobicContact CD1-CD1 3.83Å; L5-Y61 HydrophobicContact CD1-CE1 4.37Å; L15-Y61 HydrophobicContact CD1-CD1 4.13Å; L15-Y61 HydrophobicContact CD1-CD2 4.3Å; L15-Y61 HydrophobicContact CD1-CG 3.92Å; L15-Y61 HydrophobicContact CD2-CD1 4.13Å; L15-Y61 HydrophobicContact CD2-CD2 3.94Å; L15-Y61 HydrophobicContact CD2-CE1 3.92Å; L15-Y61 HydrophobicContact CD2-CE2 3.74Å; L15-Y61 HydrophobicContact CD2-CG 4.14Å; S18-Y61 WeakPolarHBondContact OG-CE2 3.41Å; L19-Y61 PolarHBondContact O-N 2.59Å; V20-Y61 WeakPolarHBondContact CA-O 3.48Å; R21-Y61 PolarHBondContact N-O 2.91Å; P59-Y61 VanDerWaalsContact C-N 3.31Å
62K96.7Very high93.8Very high74 Ų7466.8 Ų66.832%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-110.5121.6165.7-178.1179.1172.7178.30108.5V2 V3 Q4 L5 R21 T23V2-K62 HydrophobicContact CG1-CB 3.89Å; V3-K62 PolarHBondContact O-N 3.37Å; Q4-K62 WeakPolarHBondContact CA-O 3.49Å; Q4-K62 HydrophobicContact CG-CB 4.5Å; L5-K62 PolarHBondContact N-O 2.89Å; R21-K62 CarbonylContact O-C 3.58Å; R21-K62 WeakPolarHBondContact O-CA 3.41Å; T23-K62 HydrophobicContact CG2-CD 4.19Å; T23-K62 HydrophobicContact CG2-CG 3.88Å; T23-K62 WeakPolarHBondContact OG1-CE 3.08Å
63I96.8Very high94.5Very high0 Ų064.1 Ų64.10%029%0.289CS..EExtended strand (participates in β ladder)trans-105.7118.5178-62.6178000108.7L5 W7 A12 L15 V20 R21 Y22 T23L5-I63 CarbonylContact O-C 3.41Å; L5-I63 WeakPolarHBondContact O-CA 3.38Å; W7-I63 HydrophobicContact CB-CG2 3.82Å; A12-I63 HydrophobicContact CB-CD1 4.25Å; L15-I63 HydrophobicContact CD1-CD1 3.86Å; V20-I63 HydrophobicContact CG1-CD1 3.47Å; V20-I63 VanDerWaalsContact CG1-CD1 3.47Å; V20-I63 HydrophobicContact CG1-CG1 3.85Å; R21-I63 PolarHBondContact O-N 2.97Å; Y22-I63 CarbonylContact C-O 3.6Å; Y22-I63 WeakPolarHBondContact CA-O 3.04Å; Y22-I63 HydrophobicContact CD1-CB 3.93Å; Y22-I63 HydrophobicContact CD1-CD1 4.08Å; Y22-I63 HydrophobicContact CD1-CG2 3.93Å; Y22-I63 HydrophobicContact CE1-CB 4.24Å; Y22-I63 HydrophobicContact CE1-CD1 3.5Å; Y22-I63 HydrophobicContact CE1-CG1 4.45Å; Y22-I63 HydrophobicContact CE1-CG2 4.19Å; T23-I63 PolarHBondContact N-O 3.11Å; T23-I63 PolarHBondContact OG1-O 3.22Å
64D97.6Very high95.2Very high53 Ų5355.7 Ų55.728%0.28326%0.256SS..EExtended strand (participates in β ladder)trans-79.6115.8169.4-178.7-2.5000109.9L5 T6 W7 N24 K66L5-D64 PolarHBondContact O-N 2.82Å; T6-D64 HydrophobicContact CG2-CB 4.34Å; W7-D64 PolarHBondContact N-O 2.78Å; N24-D64 VanDerWaalsContact CB-OD1 3.29Å; N24-D64 WeakPolarHBondContact CB-OD1 3.48Å; N24-D64 PolarHBondContact ND2-OD1 2.82Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 WeakPolarHBondContact OD1-CA 3.37Å; D64-K66 PolarHBondContact OD1-N 3.39Å
65C97Very high95.9Very high0 Ų048.7 Ų48.70%022%0.224CC..EExtended strand (participates in β ladder)trans-84.9-1.7179-71.60000113.6T23 N24 C25 Q67 L68T23-C65 VanDerWaalsContact O-CB 3.32Å; T23-C65 WeakPolarHBondContact O-CB 3.45Å; T23-C65 PolarHBondContact O-N 3.29Å; N24-C65 CarbonylContact O-C 3.55Å; C25-C65 HydrophobicContact CB-CB 3.68Å; C65-Q67 PolarHBondContact O-N 3Å; C65-L68 VanDerWaalsContact O-CB 3.25Å; C65-L68 WeakPolarHBondContact O-CB 3.25Å; C65-L68 WeakPolarHBondContact O-CD1 3.42Å; C65-L68 WeakPolarHBondContact O-CG 3.48Å; C65-L68 PolarHBondContact O-N 3.34Å
66K96.4Very high96.4Very high104 Ų10444.6 Ų44.645%0.45221%0.205SC..EExtended strand (participates in β ladder)trans54.446.6174.5-60.6-174.3173.2175.10114N24 D64 L68N24-K66 WeakPolarHBondContact ND2-CA 3.41Å; N24-K66 PolarHBondContact O-N 3.11Å; D64-K66 VanDerWaalsContact C-N 3.34Å; D64-K66 WeakPolarHBondContact OD1-CA 3.37Å; D64-K66 PolarHBondContact OD1-N 3.39Å; K66-L68 PolarHBondContact O-N 3.32Å
67Q96.6Very high96.9Very high121 Ų12136.5 Ų36.557%0.56517%0.17SC*.EExtended strand (participates in β ladder)trans63.120.1179.3-59.9-73.1-7.700114.1N24 C65N24-Q67 VanDerWaalsContact O-CA 3.26Å; N24-Q67 WeakPolarHBondContact O-CA 3.46Å; N24-Q67 PolarHBondContact O-N 2.84Å; N24-Q67 PolarHBondContact OD1-NE2 3.27Å; C65-Q67 PolarHBondContact O-N 3Å
68L97.8Very high97.2Very high18 Ų1833.1 Ų33.19%0.09416%0.157CC..EExtended strand (participates in β ladder)trans-73.5154.5172.4-65.3175.1000111.1W7 C25 T26 C65 K66 L390 L391 D392 M398W7-L68 HydrophobicContact CD2-CD1 4.15Å; W7-L68 HydrophobicContact CG-CD1 4.39Å; W7-L68 HydrophobicContact CZ2-CD1 3.95Å; C25-L68 WeakPolarHBondContact CA-O 3.2Å; C25-L68 WeakPolarHBondContact CB-O 3.39Å; T26-L68 PolarHBondContact N-O 3.11Å; C65-L68 VanDerWaalsContact O-CB 3.25Å; C65-L68 WeakPolarHBondContact O-CB 3.25Å; C65-L68 WeakPolarHBondContact O-CD1 3.42Å; C65-L68 WeakPolarHBondContact O-CG 3.48Å; C65-L68 PolarHBondContact O-N 3.34Å; K66-L68 PolarHBondContact O-N 3.32Å; L68-L390 HydrophobicContact CD1-CB 4.14Å; L68-L390 HydrophobicContact CD1-CD1 4.36Å; L68-L391 WeakPolarHBondContact CA-O 3.19Å; L68-L391 WeakPolarHBondContact CB-O 3.04Å; L68-L391 WeakPolarHBondContact CD2-O 3.39Å; L68-D392 HydrophobicContact CD2-CB 4.06Å; L68-M398 HydrophobicContact CD1-CB 3.95Å; L68-M398 HydrophobicContact CD1-CG 3.93Å; L68-M398 HydrophobicContact CD2-CG 3.84Å
69F98.4Very high97.6Very high35 Ų3527 Ų2715%0.15413%0.127CC..EExtended strand (participates in β ladder)trans-77.2145.4168.8-62.4-84000110.6T26 F33 L390 L391 N393T26-F69 HydrophobicContact CG2-CD1 3.9Å; T26-F69 HydrophobicContact CG2-CE1 3.91Å; T26-F69 CarbonylContact O-C 3.56Å; T26-F69 VanDerWaalsContact O-CA 3.26Å; T26-F69 WeakPolarHBondContact O-CA 3.39Å; F33-F69 AromaticContact CD1-CD1 3.77Å; F33-F69 HydrophobicContact CD1-CD1 3.77Å; F33-F69 HydrophobicContact CD1-CE1 4.34Å; F33-F69 HydrophobicContact CD2-CD1 4.22Å; F33-F69 HydrophobicContact CD2-CE1 4.1Å; F33-F69 HydrophobicContact CE1-CB 4.1Å; F33-F69 AromaticContact CE1-CD1 3.49Å; F33-F69 HydrophobicContact CE1-CD1 3.49Å; F33-F69 VanDerWaalsContact CE1-CD1 3.49Å; F33-F69 HydrophobicContact CE1-CE1 4.3Å; F33-F69 HydrophobicContact CE1-CG 4.12Å; F33-F69 AromaticContact CE2-CD1 3.98Å; F33-F69 HydrophobicContact CE2-CD1 3.98Å; F33-F69 HydrophobicContact CE2-CE1 4.06Å; F33-F69 HydrophobicContact CG-CD1 4.15Å; F33-F69 HydrophobicContact CG-CE1 4.26Å; F33-F69 HydrophobicContact CZ-CB 4.37Å; F33-F69 AromaticContact CZ-CD1 3.61Å; F33-F69 HydrophobicContact CZ-CD1 3.61Å; F33-F69 HydrophobicContact CZ-CE1 4.16Å; F33-F69 HydrophobicContact CZ-CG 4.12Å; F69-L390 CarbonylContact O-C 3.53Å; F69-L390 WeakPolarHBondContact O-CA 3.24Å; F69-L391 HydrophobicContact CB-CB 4.21Å; F69-L391 PolarHBondContact N-O 3.2Å; F69-L391 PolarHBondContact O-N 3.43Å; F69-N393 VanDerWaalsContact CE2-OD1 3.28Å; F69-N393 WeakPolarHBondContact CE2-OD1 3.37Å
70I98.5Very high97.8Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-113.3125.4168.6-54.7-171.1000108.4C25 T26 L27 L28 L38 L380 F388 V389 L390C25-I70 HydrophobicContact CB-CD1 3.85Å; C25-I70 HydrophobicContact CB-CG1 3.82Å; C25-I70 WeakPolarHBondContact SG-CD1 3.03Å; T26-I70 PolarHBondContact O-N 2.79Å; L27-I70 HydrophobicContact CD1-CB 3.72Å; L27-I70 HydrophobicContact CD1-CG2 3.66Å; L28-I70 PolarHBondContact N-O 3.29Å; L38-I70 HydrophobicContact CB-CD1 4.15Å; L38-I70 HydrophobicContact CD2-CG2 4.04Å; I70-L380 HydrophobicContact CG2-CD1 3.67Å; I70-F388 HydrophobicContact CG2-CB 4.06Å; I70-F388 HydrophobicContact CG2-CD2 3.8Å; I70-F388 HydrophobicContact CG2-CG 4.16Å; I70-V389 WeakPolarHBondContact CA-O 3.18Å; I70-L390 HydrophobicContact CB-CD2 4.49Å; I70-L390 HydrophobicContact CD1-CD2 4.04Å; I70-L390 HydrophobicContact CG1-CD2 3.59Å
71A98.6Very high97.9Very high0 Ų023.3 Ų23.30%011%0.107CC..EExtended strand (participates in β ladder)trans-129.4154.917500000111.4L28 L360 F388 V389 L391L28-A71 HydrophobicContact CB-CB 4.18Å; L28-A71 HydrophobicContact CD2-CB 4.05Å; A71-L360 HydrophobicContact CB-CD1 3.93Å; A71-L360 HydrophobicContact CB-CD2 4.07Å; A71-L360 HydrophobicContact CB-CG 4.41Å; A71-F388 CarbonylContact O-C 3.57Å; A71-F388 WeakPolarHBondContact O-CA 3.5Å; A71-F388 WeakPolarHBondContact O-CB 3.35Å; A71-V389 HydrophobicContact CB-CG2 3.92Å; A71-V389 PolarHBondContact N-O 2.8Å; A71-V389 VanDerWaalsContact N-O 3.13Å; A71-V389 PolarHBondContact O-N 3.28Å; A71-L391 HydrophobicContact CB-CD1 4Å
72P98.5Very high98Very high4 Ų420.2 Ų20.23%0.02610%0.095CC..EExtended strand (participates in β ladder)trans-55.7144.5172.6-14.624.5000110.8L380P72-L380 HydrophobicContact CB-CG 4.28Å; P72-L380 HydrophobicContact CG-CD1 4.47Å; P72-L380 HydrophobicContact CG-CG 4.03Å
73G98.5Very high98Very high2 Ų217.9 Ų17.92%0.0219%0.085CC..PPolyproline II helixtrans-59.7145.6177.600000111.5T111 D387G73-T111 WeakPolarHBondContact CA-OG1 3.15Å; G73-D387 PolarHBondContact N-O 2.85Å
74F98.8Very high98Very high1 Ų119.5 Ų19.50%0.00410%0.101CC..EExtended strand (participates in β ladder)trans-76.4146.2-172.4-48.5-30.8000111S108 G109 V110 T111 A112 M341 N342 I345 L360 A363 V389 L391 I397F74-S108 VanDerWaalsContact CD2-O 3.3Å; F74-S108 WeakPolarHBondContact CD2-O 3.32Å; F74-G109 WeakPolarHBondContact CB-O 3.47Å; F74-G109 WeakPolarHBondContact CG-O 3.33Å; F74-G109 PolarHBondContact N-O 3.17Å; F74-V110 HydrophobicContact CB-CG2 4.24Å; F74-V110 WeakPolarHBondContact O-CA 3.46Å; F74-T111 PolarHBondContact O-N 2.94Å; F74-A112 PolarHBondContact O-N 3.4Å; F74-M341 HydrophobicContact CB-CG 3.9Å; F74-M341 HydrophobicContact CD2-CB 4.32Å; F74-M341 HydrophobicContact CD2-CG 3.71Å; F74-M341 HydrophobicContact CG-CG 4.07Å; F74-N342 HydrophobicContact CE2-CB 4.48Å; F74-I345 HydrophobicContact CD1-CD1 4.14Å; F74-I345 HydrophobicContact CD2-CD1 3.82Å; F74-I345 HydrophobicContact CE1-CD1 3.74Å; F74-I345 HydrophobicContact CE2-CD1 3.36Å; F74-I345 HydrophobicContact CG-CD1 4.2Å; F74-I345 HydrophobicContact CZ-CD1 3.32Å; F74-L360 HydrophobicContact CE1-CD2 3.6Å; F74-L360 HydrophobicContact CZ-CD2 3.85Å; F74-A363 CarbonylContact C-O 3.56Å; F74-A363 VanDerWaalsContact CA-O 3.26Å; F74-A363 WeakPolarHBondContact CA-O 3.27Å; F74-A363 HydrophobicContact CB-CB 4.32Å; F74-A363 HydrophobicContact CD1-CB 4.02Å; F74-A363 HydrophobicContact CG-CB 4.17Å; F74-V389 HydrophobicContact CE1-CG2 3.76Å; F74-V389 HydrophobicContact CZ-CG1 4.42Å; F74-V389 HydrophobicContact CZ-CG2 3.84Å; F74-L391 HydrophobicContact CZ-CD2 4.47Å; F74-I397 HydrophobicContact CE2-CD1 3.99Å
75I98.9Very high97.9Very high1 Ų117 Ų171%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-118.4111.1-179.8-53.8177.7000108.5V77 A112 L146 A363 P367 A368 L371 I373 K377I75-V77 HydrophobicContact CG2-CG1 4.17Å; I75-A112 VanDerWaalsContact CA-O 3.27Å; I75-A112 WeakPolarHBondContact CA-O 3.46Å; I75-A112 HydrophobicContact CG1-CB 4.35Å; I75-L146 HydrophobicContact CG2-CD1 3.62Å; I75-A363 PolarHBondContact N-O 3.36Å; I75-P367 HydrophobicContact CB-CB 3.98Å; I75-P367 HydrophobicContact CB-CG 3.89Å; I75-P367 HydrophobicContact CG2-CB 4.01Å; I75-P367 HydrophobicContact CG2-CG 4.48Å; I75-P367 WeakPolarHBondContact O-CG 3.37Å; I75-A368 HydrophobicContact CD1-CB 3.74Å; I75-L371 HydrophobicContact CG2-CD1 4.35Å; I75-I373 HydrophobicContact CD1-CD1 4.31Å; I75-K377 HydrophobicContact CD1-CB 3.96Å
76D98.8Very high97.8Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-101.1111.2177.7-161.4-14.6000111.2Q78 V79 V110 A112 F113 C114 T299 M341D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact OD1-N 3.49Å; D76-V79 HydrophobicContact CB-CG2 3.64Å; D76-V79 WeakPolarHBondContact OD2-CG2 3.34Å; D76-V110 HydrophobicContact CB-CG1 4.17Å; D76-V110 HydrophobicContact CB-CG2 4.27Å; D76-A112 PolarHBondContact N-O 2.96Å; D76-A112 VanDerWaalsContact N-O 3.07Å; D76-F113 HydrophobicContact CB-CB 4.37Å; D76-F113 CarbonylContact O-C 3.54Å; D76-F113 WeakPolarHBondContact O-CA 3.4Å; D76-F113 WeakPolarHBondContact O-CB 3.4Å; D76-C114 PolarHBondContact O-N 2.95Å; D76-T299 PolarHBondContact OD1-N 3.44Å; D76-T299 VanDerWaalsContact OD2-CB 3.23Å; D76-T299 WeakPolarHBondContact OD2-CB 3.46Å; D76-T299 WeakPolarHBondContact OD2-CG2 3.43Å; D76-T299 PolarHBondContact OD2-N 3.43Å; D76-T299 PolarHBondContact OD2-OG1 2.95Å; D76-M341 HydrophobicContact CB-CE 3.69Å; D76-M341 VanDerWaalsContact CG-CE 3.49Å
77V98.7Very high97.9Very high6 Ų613 Ų134%0.0367%0.072CC..EExtended strand (participates in β ladder)trans-89.20.8-174.9-59.60000113.5I75 H149 I192 M296 V298 P367 L371I75-V77 HydrophobicContact CG2-CG1 4.17Å; V77-H149 PolarHBondContact O-ND1 3.15Å; V77-I192 HydrophobicContact CB-CD1 3.81Å; V77-I192 HydrophobicContact CG1-CD1 4.43Å; V77-M296 HydrophobicContact CG2-CE 4.43Å; V77-V298 HydrophobicContact CG2-CG1 3.51Å; V77-P367 HydrophobicContact CG1-CB 3.8Å; V77-L371 HydrophobicContact CG1-CD1 3.94Å; V77-L371 HydrophobicContact CG1-CG 4.29Å
78Q98.8Very high97.8Very high3 Ų37.5 Ų7.51%0.0145%0.047CC..EExtended strand (participates in β ladder)trans-143.996.4177.4-165.4178.9-5.100111.2D76 T116 E151 H241 V298 D300D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact OD1-N 3.49Å; Q78-T116 VanDerWaalsContact CA-OG1 3.3Å; Q78-T116 WeakPolarHBondContact CA-OG1 3.27Å; Q78-T116 HydrophobicContact CG-CG2 4.27Å; Q78-E151 PolarHBondContact NE2-OE1 3.11Å; Q78-E151 PolarHBondContact NE2-OE2 3.32Å; Q78-H241 PolarHBondContact NE2-CD2 3.08Å; Q78-H241 VanDerWaalsContact NE2-CD2 3.26Å; Q78-V298 HydrophobicContact CB-CB 4.09Å; Q78-V298 HydrophobicContact CB-CG1 4.18Å; Q78-D300 VanDerWaalsContact CD-OD1 3.24Å; Q78-D300 HydrophobicContact CG-CB 4.36Å; Q78-D300 WeakPolarHBondContact CG-OD1 3.27Å; Q78-D300 VanDerWaalsContact NE2-CG 3.34Å; Q78-D300 PolarHBondContact NE2-OD1 3.12Å; Q78-D300 WeakPolarHBondContact O-CA 3.42Å; Q78-D300 PolarHBondContact O-N 2.76Å
79V98.6Very high97.6Very high0 Ų010.1 Ų10.10%06%0.058CC..EExtended strand (participates in β ladder)trans-134.9103-176.9-1790000109.3D76 L87 L101 F113 C114 T116D76-V79 HydrophobicContact CB-CG2 3.64Å; D76-V79 WeakPolarHBondContact OD2-CG2 3.34Å; V79-L87 VanDerWaalsContact O-CD1 3.29Å; V79-L87 WeakPolarHBondContact O-CD1 3.31Å; V79-L101 HydrophobicContact CG1-CD1 4.43Å; V79-L101 HydrophobicContact CG1-CD2 3.86Å; V79-F113 HydrophobicContact CB-CD2 4.12Å; V79-F113 HydrophobicContact CG1-CD2 4.28Å; V79-F113 HydrophobicContact CG2-CB 4.16Å; V79-F113 HydrophobicContact CG2-CD2 4.29Å; V79-C114 PolarHBondContact N-O 2.72Å; V79-T116 PolarHBondContact N-OG1 3.45Å; V79-T116 PolarHBondContact O-N 3.24Å
80N98.3Very high97.3Very high3 Ų312.1 Ų12.12%0.0167%0.071CC..  trans-83.1-21.7179.1-50-79.5000112.4L87 T116 D300 S301 L314N80-L87 VanDerWaalsContact O-CB 3.28Å; N80-L87 WeakPolarHBondContact O-CB 3.31Å; N80-L87 WeakPolarHBondContact O-CG 3.48Å; N80-L87 PolarHBondContact O-N 3.42Å; N80-T116 WeakPolarHBondContact OD1-CB 3.23Å; N80-T116 VanDerWaalsContact OD1-CG2 3.22Å; N80-T116 WeakPolarHBondContact OD1-CG2 3.2Å; N80-D300 PolarHBondContact ND2-O 3.03Å; N80-D300 PolarHBondContact ND2-OD1 3.28Å; N80-S301 CarbonylContact C-O 3.5Å; N80-S301 WeakPolarHBondContact CA-O 3.43Å; N80-S301 VanDerWaalsContact CB-O 3.28Å; N80-S301 WeakPolarHBondContact CB-O 3.4Å; N80-S301 PolarHBondContact N-O 3.26Å; N80-S301 PolarHBondContact ND2-O 3.44Å; N80-L314 HydrophobicContact CB-CD1 3.83Å; N80-L314 HydrophobicContact CB-CD2 4.26Å
81G97.5Very high96.9Very high0 Ų013.2 Ų13.20%08%0.078CC..EExtended strand (participates in β ladder)trans172-173.6-178.200000112.7V85 S301 V302G81-V85 WeakPolarHBondContact CA-O 3.46Å; G81-S301 PolarHBondContact N-O 2.89Å; G81-S301 CarbonylContact O-C 3.37Å; G81-S301 WeakPolarHBondContact O-CB 3.23Å; G81-S301 PolarHBondContact O-OG 3.34Å; G81-V302 CarbonylContact C-O 3.59Å
82G97.8Very high96.5Very high0 Ų021.4 Ų21.40%012%0.116CC..EExtended strand (participates in β ladder)trans161.3154.7178.300000111.8G84 V85 V302G82-G84 PolarHBondContact O-N 3.17Å; G82-V85 PolarHBondContact N-O 2.78Å; G82-V85 VanDerWaalsContact N-O 3.08Å; G82-V85 WeakPolarHBondContact O-CB 3.48Å; G82-V85 WeakPolarHBondContact O-CG2 3.4Å; G82-V85 PolarHBondContact O-N 3.15Å; G82-V302 WeakPolarHBondContact CA-O 3.25Å; G82-V302 PolarHBondContact N-O 2.96Å
83F97Very high96.3Very high24 Ų2424.5 Ų24.511%0.10513%0.133CC..THydrogen-bonded Turntrans54.736.6179.8-47.8-75.9000112.8V85 K100 L101 L105 Q107 T303 M305F83-V85 VanDerWaalsContact C-N 3.3Å; F83-V85 PolarHBondContact O-N 3.09Å; F83-K100 WeakPolarHBondContact O-CE 3.42Å; F83-K100 PolarHBondContact O-NZ 3.15Å; F83-L101 HydrophobicContact CD2-CD1 4.36Å; F83-L105 HydrophobicContact CE2-CD2 4.48Å; F83-Q107 HydrophobicContact CE1-CG 4.37Å; F83-Q107 HydrophobicContact CZ-CG 3.99Å; F83-T303 PolarHBondContact N-O 3.47Å; F83-M305 WeakPolarHBondContact CA-O 3.43Å; F83-M305 HydrophobicContact CD2-CE 4.22Å; F83-M305 HydrophobicContact CE2-CE 3.57Å; F83-M305 HydrophobicContact CZ-CE 3.96Å; F83-M305 PolarHBondContact N-O 2.98Å
84G96.2Very high96.1Very high34 Ų3424.5 Ų24.535%0.35113%0.132SC..THydrogen-bonded Turntrans77.48.3-175.600000115.1G82 T303G82-G84 PolarHBondContact O-N 3.17Å; G84-T303 WeakPolarHBondContact CA-O 3.08Å; G84-T303 PolarHBondContact N-O 3.41Å
85V96.9Very high95.9Very high0 Ų028.7 Ų28.70%015%0.154CC..EExtended strand (participates in β ladder)trans-86.6128.4174172.70000110.3G81 G82 F83 L87 Q97 K100 L101 T303G81-V85 WeakPolarHBondContact CA-O 3.46Å; G82-V85 PolarHBondContact N-O 2.78Å; G82-V85 VanDerWaalsContact N-O 3.08Å; G82-V85 WeakPolarHBondContact O-CB 3.48Å; G82-V85 WeakPolarHBondContact O-CG2 3.4Å; G82-V85 PolarHBondContact O-N 3.15Å; F83-V85 VanDerWaalsContact C-N 3.3Å; F83-V85 PolarHBondContact O-N 3.09Å; V85-L87 HydrophobicContact CG1-CD2 3.86Å; V85-L87 HydrophobicContact CG1-CG 4.21Å; V85-Q97 HydrophobicContact CG1-CB 3.91Å; V85-Q97 WeakPolarHBondContact CG1-O 3.36Å; V85-Q97 WeakPolarHBondContact CG2-O 3.42Å; V85-K100 HydrophobicContact CG2-CB 3.91Å; V85-K100 HydrophobicContact CG2-CD 3.74Å; V85-K100 HydrophobicContact CG2-CG 3.82Å; V85-L101 HydrophobicContact CB-CB 4.14Å; V85-L101 HydrophobicContact CG1-CB 3.96Å; V85-L101 HydrophobicContact CG1-CD2 4.32Å; V85-L101 HydrophobicContact CG2-CB 4.06Å; V85-T303 WeakPolarHBondContact O-CA 3.35Å; V85-T303 VanDerWaalsContact O-CG2 3.22Å; V85-T303 WeakPolarHBondContact O-CG2 3.39Å
86N95.4Very high95.7Very high21 Ų2132.1 Ų32.111%0.11218%0.178CC..EExtended strand (participates in β ladder)trans-113.2107.8174.1-170.1-17.7000109.9S88 H89 T303 Q313 L314 G315N86-S88 VanDerWaalsContact C-N 3.35Å; N86-S88 PolarHBondContact OD1-N 3.45Å; N86-H89 HydrophobicContact CB-CB 4.17Å; N86-H89 PolarHBondContact OD1-N 3.29Å; N86-T303 HydrophobicContact CB-CG2 3.6Å; N86-Q313 PolarHBondContact ND2-O 2.67Å; N86-L314 WeakPolarHBondContact ND2-CA 3.39Å; N86-G315 PolarHBondContact ND2-N 3.07Å; N86-G315 VanDerWaalsContact ND2-N 3.13Å; N86-G315 PolarHBondContact ND2-O 2.95Å; N86-G315 PolarHBondContact OD1-N 2.98Å
87L96.9Very high95.6Very high0 Ų033.9 Ų33.90%019%0.186CC..THydrogen-bonded Turntrans-80.7-16.5-176.2-63.7173.6000113.9V79 N80 V85 L98 L101 P115 L117 F124 Y132V79-L87 VanDerWaalsContact O-CD1 3.29Å; V79-L87 WeakPolarHBondContact O-CD1 3.31Å; N80-L87 VanDerWaalsContact O-CB 3.28Å; N80-L87 WeakPolarHBondContact O-CB 3.31Å; N80-L87 WeakPolarHBondContact O-CG 3.48Å; N80-L87 PolarHBondContact O-N 3.42Å; V85-L87 HydrophobicContact CG1-CD2 3.86Å; V85-L87 HydrophobicContact CG1-CG 4.21Å; L87-L98 HydrophobicContact CD2-CB 4.49Å; L87-L98 HydrophobicContact CD2-CD1 4.18Å; L87-L101 HydrophobicContact CD1-CD2 3.65Å; L87-L101 HydrophobicContact CD2-CD2 4.12Å; L87-L101 HydrophobicContact CG-CD2 4.06Å; L87-P115 HydrophobicContact CD1-CB 3.67Å; L87-L117 HydrophobicContact CB-CD2 4.19Å; L87-L117 VanDerWaalsContact O-CD2 3.31Å; L87-L117 WeakPolarHBondContact O-CD2 3.5Å; L87-F124 WeakPolarHBondContact O-CZ 3.29Å; L87-Y132 WeakPolarHBondContact CA-OH 3.47Å; L87-Y132 HydrophobicContact CD2-CE1 4.33Å; L87-Y132 WeakPolarHBondContact O-CE2 3.22Å; L87-Y132 PolarHBondContact O-OH 2.8Å
88S95.9Very high95.5Very high6 Ų633.6 Ų33.64%0.04218%0.184CC..THydrogen-bonded Turntrans-106.49.9-174.5-60.50000113.8N86 I118 G315N86-S88 VanDerWaalsContact C-N 3.35Å; N86-S88 PolarHBondContact OD1-N 3.45Å; S88-I118 PolarHBondContact OG-N 3Å; S88-G315 WeakPolarHBondContact O-CA 3.28Å
89H93.5Very high95.3Very high72 Ų7236.7 Ų36.733%0.33320%0.201SC..SBendtrans-91.4132.2174.7-176.962.4000110.3N86 S91 L94 F124 D316N86-H89 HydrophobicContact CB-CB 4.17Å; N86-H89 PolarHBondContact OD1-N 3.29Å; H89-S91 PolarHBondContact O-N 2.96Å; H89-L94 WeakPolarHBondContact O-CD2 3.44Å; H89-F124 WeakPolarHBondContact O-CE2 3.24Å; H89-D316 IonicContact CE1-OD1 2.78Å; H89-D316 IonicContact ND1-OD1 2.59Å
90D90.9Very high95.2Very high78 Ų7841.4 Ų41.442%0.41722%0.221SC..  trans-76.974.5-179.3-165.4-3.6000111.4F124 K127D90-F124 HydrophobicContact CB-CD2 3.63Å; D90-F124 HydrophobicContact CB-CE2 4.22Å; D90-F124 HydrophobicContact CB-CG 4.43Å; D90-K127 WeakPolarHBondContact OD1-CD 3.44Å; D90-K127 IonicContact OD1-NZ 2.82Å; D90-K127 PolarHBondContact OD1-NZ 2.69Å
91S89.9Confident95.1Very high22 Ų2241.2 Ų41.215%0.15422%0.221CC..  trans-105.516817666.10000112.1H89 D93 L94 K127H89-S91 PolarHBondContact O-N 2.96Å; S91-D93 VanDerWaalsContact C-N 3.35Å; S91-D93 WeakPolarHBondContact CB-OD1 3.35Å; S91-D93 PolarHBondContact OG-OD1 2.88Å; S91-L94 WeakPolarHBondContact O-CG 3.18Å; S91-K127 WeakPolarHBondContact O-CE 3.22Å; S91-K127 PolarHBondContact O-NZ 2.97Å
92E90.9Very high95.1Very high173 Ų17341.2 Ų41.281%0.80822%0.221SC*.SBendtrans-81.9-13.7173.9-67.8-57.2122.700113K127E92-K127 IonicContact OE1-NZ 3.74Å; E92-K127 PolarHBondContact OE1-NZ 3.48Å
93D93.4Very high95.1Very high68 Ų6845.2 Ų45.236%0.36424%0.24SC..  trans-98.818.3-172.373.2-23000114.3S91 I95 S96 Q97S91-D93 VanDerWaalsContact C-N 3.35Å; S91-D93 WeakPolarHBondContact CB-OD1 3.35Å; S91-D93 PolarHBondContact OG-OD1 2.88Å; D93-I95 VanDerWaalsContact C-N 3.27Å; D93-I95 PolarHBondContact O-N 3.43Å; D93-I95 VanDerWaalsContact O-N 3.09Å; D93-S96 WeakPolarHBondContact O-CA 3.49Å; D93-S96 WeakPolarHBondContact O-CB 3.47Å; D93-S96 PolarHBondContact O-N 3.23Å; D93-Q97 WeakPolarHBondContact O-CG 3.43Å; D93-Q97 PolarHBondContact O-N 2.89Å; D93-Q97 PolarHBondContact OD2-NE2 3.48Å
94L94.6Very high95Very high3 Ų345.3 Ų45.32%0.01624%0.244CC..Hα-helixtrans-44.4-48.2-176.7-60.4177.3000113H89 S91 S96 Q97 L98 F124 K127 Y132H89-L94 WeakPolarHBondContact O-CD2 3.44Å; S91-L94 WeakPolarHBondContact O-CG 3.18Å; L94-S96 PolarHBondContact O-N 3.24Å; L94-Q97 WeakPolarHBondContact O-CB 3.47Å; L94-Q97 PolarHBondContact O-N 2.82Å; L94-L98 PolarHBondContact O-N 2.93Å; L94-F124 HydrophobicContact CD1-CE2 4.42Å; L94-F124 HydrophobicContact CD2-CE2 4.01Å; L94-F124 HydrophobicContact CD2-CZ 4.48Å; L94-K127 HydrophobicContact CD1-CD 4.07Å; L94-K127 HydrophobicContact CD1-CG 4.01Å; L94-Y132 HydrophobicContact CB-CD1 4.49Å; L94-Y132 HydrophobicContact CB-CE1 3.69Å; L94-Y132 WeakPolarHBondContact CD2-OH 3.31Å; L94-Y132 VanDerWaalsContact O-CE1 3.31Å; L94-Y132 WeakPolarHBondContact O-CE1 3.48Å
95I95.1Very high95.1Very high88 Ų8843.7 Ų43.745%0.45123%0.227SC..Hα-helixtrans-62.2-44.3-178.8-60.9174.4000111D93 Q97 L98 D99D93-I95 VanDerWaalsContact C-N 3.27Å; D93-I95 PolarHBondContact O-N 3.43Å; D93-I95 VanDerWaalsContact O-N 3.09Å; I95-Q97 VanDerWaalsContact C-N 3.33Å; I95-Q97 PolarHBondContact O-N 3.13Å; I95-L98 PolarHBondContact O-N 2.81Å; I95-D99 PolarHBondContact O-N 3.11Å
96S95Very high95.1Very high74 Ų7443.8 Ų43.852%0.51723%0.228SC..Hα-helixtrans-66.3-35.8178.3-174.40000111.9D93 L94 D99 K100D93-S96 WeakPolarHBondContact O-CA 3.49Å; D93-S96 WeakPolarHBondContact O-CB 3.47Å; D93-S96 PolarHBondContact O-N 3.23Å; L94-S96 PolarHBondContact O-N 3.24Å; S96-D99 PolarHBondContact O-N 3.11Å; S96-K100 WeakPolarHBondContact O-CB 3.44Å; S96-K100 PolarHBondContact O-N 3.26Å
97Q95.7Very high95.1Very high37 Ų3746.5 Ų46.517%0.17324%0.24CC..Hα-helixtrans-61.5-48.7173.6-70.6-65.2-25.900110.4V85 D93 L94 I95 D99 K100 L101V85-Q97 HydrophobicContact CG1-CB 3.91Å; V85-Q97 WeakPolarHBondContact CG1-O 3.36Å; V85-Q97 WeakPolarHBondContact CG2-O 3.42Å; D93-Q97 WeakPolarHBondContact O-CG 3.43Å; D93-Q97 PolarHBondContact O-N 2.89Å; D93-Q97 PolarHBondContact OD2-NE2 3.48Å; L94-Q97 WeakPolarHBondContact O-CB 3.47Å; L94-Q97 PolarHBondContact O-N 2.82Å; I95-Q97 VanDerWaalsContact C-N 3.33Å; I95-Q97 PolarHBondContact O-N 3.13Å; Q97-D99 PolarHBondContact O-N 3.2Å; Q97-K100 PolarHBondContact O-N 2.86Å; Q97-L101 PolarHBondContact O-N 2.82Å
98L96.2Very high95.1Very high0 Ų046.7 Ų46.70%024%0.241CC..Hα-helixtrans-63.4-39.5176.9-175.964.2000112.5L87 L94 I95 L101 A102 F113 P115 Y132 V145L87-L98 HydrophobicContact CD2-CB 4.49Å; L87-L98 HydrophobicContact CD2-CD1 4.18Å; L94-L98 PolarHBondContact O-N 2.93Å; I95-L98 PolarHBondContact O-N 2.81Å; L98-L101 PolarHBondContact O-N 3Å; L98-A102 WeakPolarHBondContact O-CB 3.3Å; L98-A102 PolarHBondContact O-N 3.32Å; L98-F113 HydrophobicContact CD1-CE2 3.94Å; L98-F113 HydrophobicContact CD1-CZ 3.72Å; L98-P115 HydrophobicContact CD1-CB 3.96Å; L98-P115 HydrophobicContact CD1-CG 3.53Å; L98-Y132 HydrophobicContact CB-CD1 3.98Å; L98-Y132 HydrophobicContact CB-CE1 3.9Å; L98-Y132 HydrophobicContact CD2-CD1 3.64Å; L98-Y132 HydrophobicContact CD2-CE1 4.39Å; L98-Y132 HydrophobicContact CD2-CG 4.28Å; L98-Y132 HydrophobicContact CG-CD1 4.3Å; L98-V145 HydrophobicContact CD1-CG2 4.15Å; L98-V145 HydrophobicContact CD2-CG1 4.29Å; L98-V145 HydrophobicContact CD2-CG2 4.11Å; L98-V145 HydrophobicContact CG-CG2 4.17Å
99D95.6Very high95.2Very high68 Ų6846.4 Ų46.436%0.36424%0.239SC..Hα-helixtrans-60.3-48.5174.6-70.2-15.9000111.4I95 S96 Q97 L101 A102 M103 R135I95-D99 PolarHBondContact O-N 3.11Å; S96-D99 PolarHBondContact O-N 3.11Å; Q97-D99 PolarHBondContact O-N 3.2Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.47Å; D99-A102 PolarHBondContact O-N 3.12Å; D99-M103 WeakPolarHBondContact O-CB 3.23Å; D99-M103 WeakPolarHBondContact O-CG 3.21Å; D99-M103 PolarHBondContact O-N 3.4Å; D99-R135 IonicContact OD1-CZ 4Å; D99-R135 IonicContact OD1-NH1 3.52Å; D99-R135 PolarHBondContact OD1-NH1 2.87Å; D99-R135 IonicContact OD1-NH2 3.94Å; D99-R135 PolarHBondContact OD1-NH2 3.38Å
100K95.9Very high95.5Very high98 Ų9843 Ų4343%0.42622%0.223SC..Hα-helixtrans-59.8-43.8178.2-179.6-179.1170.4-164.20111.2F83 V85 S96 Q97 M103 S104F83-K100 WeakPolarHBondContact O-CE 3.42Å; F83-K100 PolarHBondContact O-NZ 3.15Å; V85-K100 HydrophobicContact CG2-CB 3.91Å; V85-K100 HydrophobicContact CG2-CD 3.74Å; V85-K100 HydrophobicContact CG2-CG 3.82Å; S96-K100 WeakPolarHBondContact O-CB 3.44Å; S96-K100 PolarHBondContact O-N 3.26Å; Q97-K100 PolarHBondContact O-N 2.86Å; K100-M103 PolarHBondContact O-N 3.27Å; K100-S104 WeakPolarHBondContact O-CB 3.39Å; K100-S104 PolarHBondContact O-N 3.2Å; K100-S104 VanDerWaalsContact O-N 3.14Å; K100-S104 PolarHBondContact O-OG 2.86Å
101L97.2Very high95.8Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-64.9-48.2178.7-178.961.8000111.3V79 F83 V85 L87 Q97 L98 D99 M103 S104 L105 F113V79-L101 HydrophobicContact CG1-CD1 4.43Å; V79-L101 HydrophobicContact CG1-CD2 3.86Å; F83-L101 HydrophobicContact CD2-CD1 4.36Å; V85-L101 HydrophobicContact CB-CB 4.14Å; V85-L101 HydrophobicContact CG1-CB 3.96Å; V85-L101 HydrophobicContact CG1-CD2 4.32Å; V85-L101 HydrophobicContact CG2-CB 4.06Å; L87-L101 HydrophobicContact CD1-CD2 3.65Å; L87-L101 HydrophobicContact CD2-CD2 4.12Å; L87-L101 HydrophobicContact CG-CD2 4.06Å; Q97-L101 PolarHBondContact O-N 2.82Å; L98-L101 PolarHBondContact O-N 3Å; D99-L101 VanDerWaalsContact C-N 3.32Å; D99-L101 PolarHBondContact O-N 3.47Å; L101-M103 VanDerWaalsContact C-N 3.25Å; L101-M103 PolarHBondContact O-N 2.84Å; L101-S104 PolarHBondContact O-N 3.15Å; L101-L105 HydrophobicContact CD1-CD1 4.25Å; L101-L105 HydrophobicContact CD1-CD2 4.21Å; L101-L105 HydrophobicContact CD1-CG 3.98Å; L101-L105 HydrophobicContact CG-CD1 3.98Å; L101-L105 HydrophobicContact CG-CG 4.19Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.23Å; L101-F113 HydrophobicContact CD2-CE2 3.81Å; L101-F113 HydrophobicContact CD2-CZ 4.37Å; L101-F113 HydrophobicContact CG-CE2 4.25Å; L101-F113 HydrophobicContact CG-CZ 4.42Å
102A97.8Very high96.3Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-57-39.1177.700000112L98 D99 S104 P106 F113 G142 A143L98-A102 WeakPolarHBondContact O-CB 3.3Å; L98-A102 PolarHBondContact O-N 3.32Å; D99-A102 PolarHBondContact O-N 3.12Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.48Å; A102-P106 WeakPolarHBondContact O-CD 3.39Å; A102-F113 HydrophobicContact CB-CE1 3.92Å; A102-F113 HydrophobicContact CB-CZ 4.15Å; A102-G142 CarbonylContact O-C 3.56Å; A102-G142 WeakPolarHBondContact O-CA 3.45Å; A102-A143 PolarHBondContact O-N 3.28Å
103M96.2Very high96.6Very high83 Ų8330 Ų3041%0.40916%0.158SC..Hα-helixtrans-70.2-25175.3-76-59.4-56.200114.2D99 K100 L101 C140 K141 G142D99-M103 WeakPolarHBondContact O-CB 3.23Å; D99-M103 WeakPolarHBondContact O-CG 3.21Å; D99-M103 PolarHBondContact O-N 3.4Å; K100-M103 PolarHBondContact O-N 3.27Å; L101-M103 VanDerWaalsContact C-N 3.25Å; L101-M103 PolarHBondContact O-N 2.84Å; M103-C140 VanDerWaalsContact SD-C 3.54Å; M103-K141 VanDerWaalsContact SD-C 3.51Å; M103-G142 PolarHBondContact SD-N 3.41Å
104S96.7Very high96.9Very high26 Ų2626.8 Ų26.818%0.18214%0.141CC..Hα-helixtrans-93.5-32.8-173.5-52.60000112.8K100 L101 A102 Q107K100-S104 WeakPolarHBondContact O-CB 3.39Å; K100-S104 PolarHBondContact O-N 3.2Å; K100-S104 VanDerWaalsContact O-N 3.14Å; K100-S104 PolarHBondContact O-OG 2.86Å; L101-S104 PolarHBondContact O-N 3.15Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.48Å; S104-Q107 VanDerWaalsContact O-CG 3.25Å; S104-Q107 WeakPolarHBondContact O-CG 3.22Å; S104-Q107 PolarHBondContact O-N 3Å; S104-Q107 PolarHBondContact O-NE2 2.95Å
105L97.7Very high97.1Very high1 Ų126.7 Ų26.71%0.00514%0.14CC..G310 helixtrans-56.5-34.7-179.2-77173.4000115.6F83 L101 Q107 S108 V110 F113 A143 M305F83-L105 HydrophobicContact CE2-CD2 4.48Å; L101-L105 HydrophobicContact CD1-CD1 4.25Å; L101-L105 HydrophobicContact CD1-CD2 4.21Å; L101-L105 HydrophobicContact CD1-CG 3.98Å; L101-L105 HydrophobicContact CG-CD1 3.98Å; L101-L105 HydrophobicContact CG-CG 4.19Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 3.23Å; L105-Q107 PolarHBondContact O-N 3.19Å; L105-S108 PolarHBondContact O-N 2.86Å; L105-S108 PolarHBondContact O-OG 3.5Å; L105-V110 HydrophobicContact CB-CB 4.08Å; L105-V110 HydrophobicContact CB-CG1 4.15Å; L105-V110 HydrophobicContact CD1-CG1 4.22Å; L105-F113 HydrophobicContact CD1-CB 4.07Å; L105-F113 HydrophobicContact CD1-CD1 3.52Å; L105-F113 HydrophobicContact CD1-CD2 3.72Å; L105-F113 HydrophobicContact CD1-CE1 3.79Å; L105-F113 HydrophobicContact CD1-CE2 3.95Å; L105-F113 HydrophobicContact CD1-CG 3.49Å; L105-F113 VanDerWaalsContact CD1-CG 3.49Å; L105-F113 HydrophobicContact CD1-CZ 3.98Å; L105-A143 HydrophobicContact CB-CB 4.25Å; L105-M305 HydrophobicContact CD2-CE 3.91Å
106P97.1Very high97.2Very high2 Ų222.5 Ų22.51%0.01312%0.118CC..G310 helixtrans-57.1-23.4-179.5-30.137.5000114.8A102 S108 G109 V110 A143 T400 I402 I407A102-P106 WeakPolarHBondContact O-CD 3.39Å; P106-S108 PolarHBondContact O-N 3.48Å; P106-G109 PolarHBondContact O-N 3.08Å; P106-V110 WeakPolarHBondContact CA-O 3.23Å; P106-A143 HydrophobicContact CG-CB 4.45Å; P106-T400 HydrophobicContact CB-CG2 4.09Å; P106-T400 WeakPolarHBondContact O-CB 3.32Å; P106-T400 PolarHBondContact O-OG1 2.87Å; P106-I402 HydrophobicContact CG-CD1 3.92Å; P106-I407 HydrophobicContact CB-CB 4.44Å; P106-I407 HydrophobicContact CB-CG2 4.16Å; P106-I407 HydrophobicContact CG-CG2 4.01Å
107Q95.8Very high97.4Very high78 Ų7819 Ų1936%0.3649%0.094SC..G310 helixtrans-64.7-21.6175.980.1-166.7-70.100113.8F83 S104 L105 Y408F83-Q107 HydrophobicContact CE1-CG 4.37Å; F83-Q107 HydrophobicContact CZ-CG 3.99Å; S104-Q107 VanDerWaalsContact O-CG 3.25Å; S104-Q107 WeakPolarHBondContact O-CG 3.22Å; S104-Q107 PolarHBondContact O-N 3Å; S104-Q107 PolarHBondContact O-NE2 2.95Å; L105-Q107 PolarHBondContact O-N 3.19Å; Q107-Y408 HydrophobicContact CB-CD1 4.46Å; Q107-Y408 HydrophobicContact CB-CD2 3.65Å; Q107-Y408 HydrophobicContact CB-CE1 4.33Å; Q107-Y408 HydrophobicContact CB-CE2 3.49Å; Q107-Y408 VanDerWaalsContact CB-CE2 3.49Å; Q107-Y408 HydrophobicContact CB-CG 4.14Å
108S97Very high97.5Very high3 Ų317.7 Ų17.72%0.0219%0.088CC..G310 helixtrans-99.79.5172.869.10000112.8F74 L105 P106 V110 N342 I397F74-S108 VanDerWaalsContact CD2-O 3.3Å; F74-S108 WeakPolarHBondContact CD2-O 3.32Å; L105-S108 PolarHBondContact O-N 2.86Å; L105-S108 PolarHBondContact O-OG 3.5Å; P106-S108 PolarHBondContact O-N 3.48Å; S108-V110 VanDerWaalsContact C-N 3.27Å; S108-V110 PolarHBondContact O-N 3.05Å; S108-N342 WeakPolarHBondContact CB-OD1 3.46Å; S108-I397 VanDerWaalsContact O-CD1 3.26Å; S108-I397 WeakPolarHBondContact O-CD1 3.21Å
109G97.9Very high97.5Very high0 Ų017.8 Ų17.80%09%0.089CC..THydrogen-bonded Turntrans84.7-0.4175.800000114.1F74 P106 T111F74-G109 WeakPolarHBondContact CB-O 3.47Å; F74-G109 WeakPolarHBondContact CG-O 3.33Å; F74-G109 PolarHBondContact N-O 3.17Å; P106-G109 PolarHBondContact O-N 3.08Å; G109-T111 PolarHBondContact O-N 3.04Å
110V98.6Very high97.6Very high0 Ų015.2 Ų15.20%08%0.076CC..EExtended strand (participates in β ladder)trans-73.3114.7177.2176.30000109.4F74 D76 L105 P106 S108 A112 F113 M341F74-V110 HydrophobicContact CB-CG2 4.24Å; F74-V110 WeakPolarHBondContact O-CA 3.46Å; D76-V110 HydrophobicContact CB-CG1 4.17Å; D76-V110 HydrophobicContact CB-CG2 4.27Å; L105-V110 HydrophobicContact CB-CB 4.08Å; L105-V110 HydrophobicContact CB-CG1 4.15Å; L105-V110 HydrophobicContact CD1-CG1 4.22Å; P106-V110 WeakPolarHBondContact CA-O 3.23Å; S108-V110 VanDerWaalsContact C-N 3.27Å; S108-V110 PolarHBondContact O-N 3.05Å; V110-A112 VanDerWaalsContact CG1-O 3.3Å; V110-A112 WeakPolarHBondContact CG1-O 3.49Å; V110-F113 HydrophobicContact CG1-CB 4.1Å; V110-M341 HydrophobicContact CG2-CB 3.65Å; V110-M341 HydrophobicContact CG2-CG 4.09Å
111T98.6Very high97.6Very high2 Ų213 Ų131%0.0127%0.071CC..EExtended strand (participates in β ladder)trans-104.6-14.5178.162.40000112.4G73 F74 G109 A143 T144 D387 T400 Y401 I402G73-T111 WeakPolarHBondContact CA-OG1 3.15Å; F74-T111 PolarHBondContact O-N 2.94Å; G109-T111 PolarHBondContact O-N 3.04Å; T111-A143 CarbonylContact O-C 3.52Å; T111-A143 WeakPolarHBondContact O-CA 3.28Å; T111-T144 PolarHBondContact O-N 3.32Å; T111-D387 HydrophobicContact CG2-CB 4.24Å; T111-T400 HydrophobicContact CG2-CG2 3.58Å; T111-Y401 WeakPolarHBondContact CG2-O 3.26Å; T111-I402 HydrophobicContact CG2-CD1 4.36Å; T111-I402 HydrophobicContact CG2-CG1 3.83Å
112A98.6Very high97.6Very high0 Ų014.9 Ų14.90%08%0.084CC..EExtended strand (participates in β ladder)trans-148147.9173.900000110.8F74 I75 D76 V110 T144 L146 K377F74-A112 PolarHBondContact O-N 3.4Å; I75-A112 VanDerWaalsContact CA-O 3.27Å; I75-A112 WeakPolarHBondContact CA-O 3.46Å; I75-A112 HydrophobicContact CG1-CB 4.35Å; D76-A112 PolarHBondContact N-O 2.96Å; D76-A112 VanDerWaalsContact N-O 3.07Å; V110-A112 VanDerWaalsContact CG1-O 3.3Å; V110-A112 WeakPolarHBondContact CG1-O 3.49Å; A112-T144 CarbonylContact C-O 3.59Å; A112-T144 VanDerWaalsContact CA-O 3.24Å; A112-T144 WeakPolarHBondContact CA-O 3.48Å; A112-L146 HydrophobicContact CB-CD1 3.78Å; A112-L146 HydrophobicContact CB-CD2 4.04Å; A112-L146 HydrophobicContact CB-CG 3.88Å; A112-K377 HydrophobicContact CB-CD 3.8Å
113F98.8Very high97.5Very high0 Ų018.5 Ų18.50%011%0.109CC..EExtended strand (participates in β ladder)trans-153.1163.2-178.971.8-70000112.7D76 V79 L98 L101 A102 L105 V110 P115 A143 T144 V145 L146D76-F113 HydrophobicContact CB-CB 4.37Å; D76-F113 CarbonylContact O-C 3.54Å; D76-F113 WeakPolarHBondContact O-CA 3.4Å; D76-F113 WeakPolarHBondContact O-CB 3.4Å; V79-F113 HydrophobicContact CB-CD2 4.12Å; V79-F113 HydrophobicContact CG1-CD2 4.28Å; V79-F113 HydrophobicContact CG2-CB 4.16Å; V79-F113 HydrophobicContact CG2-CD2 4.29Å; L98-F113 HydrophobicContact CD1-CE2 3.94Å; L98-F113 HydrophobicContact CD1-CZ 3.72Å; L101-F113 HydrophobicContact CD2-CE2 3.81Å; L101-F113 HydrophobicContact CD2-CZ 4.37Å; L101-F113 HydrophobicContact CG-CE2 4.25Å; L101-F113 HydrophobicContact CG-CZ 4.42Å; A102-F113 HydrophobicContact CB-CE1 3.92Å; A102-F113 HydrophobicContact CB-CZ 4.15Å; L105-F113 HydrophobicContact CD1-CB 4.07Å; L105-F113 HydrophobicContact CD1-CD1 3.52Å; L105-F113 HydrophobicContact CD1-CD2 3.72Å; L105-F113 HydrophobicContact CD1-CE1 3.79Å; L105-F113 HydrophobicContact CD1-CE2 3.95Å; L105-F113 HydrophobicContact CD1-CG 3.49Å; L105-F113 VanDerWaalsContact CD1-CG 3.49Å; L105-F113 HydrophobicContact CD1-CZ 3.98Å; V110-F113 HydrophobicContact CG1-CB 4.1Å; F113-P115 HydrophobicContact CD2-CG 4.17Å; F113-P115 HydrophobicContact CE2-CB 4.19Å; F113-P115 HydrophobicContact CE2-CG 3.69Å; F113-P115 HydrophobicContact CZ-CG 4.3Å; F113-A143 HydrophobicContact CD1-CB 3.82Å; F113-A143 HydrophobicContact CE1-CB 3.98Å; F113-T144 WeakPolarHBondContact CD1-O 3.48Å; F113-T144 PolarHBondContact N-O 2.74Å; F113-V145 HydrophobicContact CE1-CG2 3.81Å; F113-V145 HydrophobicContact CZ-CG2 3.86Å; F113-L146 PolarHBondContact O-N 2.94Å
114C98.7Very high97.5Very high0 Ų014.7 Ų14.70%09%0.09CC..EExtended strand (participates in β ladder)trans-107.4111.7169.7-57.10000108.7D76 V79 T116 G147 H149 C191 I192D76-C114 PolarHBondContact O-N 2.95Å; V79-C114 PolarHBondContact N-O 2.72Å; C114-T116 PolarHBondContact O-N 2.96Å; C114-T116 PolarHBondContact O-OG1 3.25Å; C114-G147 VanDerWaalsContact CA-O 3.26Å; C114-G147 WeakPolarHBondContact CA-O 3.37Å; C114-G147 WeakPolarHBondContact CB-O 3.45Å; C114-H149 HydrophobicContact CB-CB 4.08Å; C114-C191 PolarHBondContact SG-SG 3.34Å; C114-I192 HydrophobicContact CB-CD1 4.32Å
115P98.5Very high97.5Very high0 Ų013.4 Ų13.40%08%0.082CC..EExtended strand (participates in β ladder)trans-62.2126.5173-1427.4000108.9L87 L98 F113 V145 G147 L148 H149L87-P115 HydrophobicContact CD1-CB 3.67Å; L98-P115 HydrophobicContact CD1-CB 3.96Å; L98-P115 HydrophobicContact CD1-CG 3.53Å; F113-P115 HydrophobicContact CD2-CG 4.17Å; F113-P115 HydrophobicContact CE2-CB 4.19Å; F113-P115 HydrophobicContact CE2-CG 3.69Å; F113-P115 HydrophobicContact CZ-CG 4.3Å; P115-V145 HydrophobicContact CG-CG1 3.63Å; P115-G147 WeakPolarHBondContact CD-O 3.3Å; P115-L148 HydrophobicContact CB-CD2 4.08Å; P115-L148 WeakPolarHBondContact O-CA 3.5Å; P115-H149 PolarHBondContact O-N 2.96Å
116T98.7Very high97.5Very high0 Ų016.6 Ų16.60%010%0.096CC..EExtended strand (participates in β ladder)trans-102129.7-176-58.20000110.8Q78 V79 N80 C114 H149 E151Q78-T116 VanDerWaalsContact CA-OG1 3.3Å; Q78-T116 WeakPolarHBondContact CA-OG1 3.27Å; Q78-T116 HydrophobicContact CG-CG2 4.27Å; V79-T116 PolarHBondContact N-OG1 3.45Å; V79-T116 PolarHBondContact O-N 3.24Å; N80-T116 WeakPolarHBondContact OD1-CB 3.23Å; N80-T116 VanDerWaalsContact OD1-CG2 3.22Å; N80-T116 WeakPolarHBondContact OD1-CG2 3.2Å; C114-T116 PolarHBondContact O-N 2.96Å; C114-T116 PolarHBondContact O-OG1 3.25Å; T116-H149 CarbonylContact C-O 3.55Å; T116-H149 VanDerWaalsContact CA-O 3.23Å; T116-H149 WeakPolarHBondContact CA-O 3.34Å; T116-H149 HydrophobicContact CG2-CB 4.3Å; T116-H149 PolarHBondContact OG1-ND1 3.2Å; T116-E151 HydrophobicContact CG2-CB 3.79Å
117L98.1Very high97.4Very high0 Ų018.3 Ų18.30%010%0.103CC..EExtended strand (participates in β ladder)trans-109.3124.3172.8-51.1-177.5000108.8L87 F124 Y125 A128 Y132 L148 H149 L150 E151L87-L117 HydrophobicContact CB-CD2 4.19Å; L87-L117 VanDerWaalsContact O-CD2 3.31Å; L87-L117 WeakPolarHBondContact O-CD2 3.5Å; L117-F124 HydrophobicContact CD1-CE1 4.47Å; L117-F124 HydrophobicContact CD2-CE1 4.37Å; L117-Y125 HydrophobicContact CB-CE1 4.05Å; L117-Y125 HydrophobicContact CD1-CD1 4.3Å; L117-A128 HydrophobicContact CD1-CB 3.49Å; L117-A128 VanDerWaalsContact CD1-CB 3.49Å; L117-Y132 HydrophobicContact CD1-CD2 4.33Å; L117-Y132 HydrophobicContact CD1-CE2 4.48Å; L117-Y132 HydrophobicContact CD2-CD2 4.04Å; L117-Y132 HydrophobicContact CD2-CE2 3.61Å; L117-L148 HydrophobicContact CD1-CD2 4.11Å; L117-L148 HydrophobicContact CG-CD2 4.13Å; L117-H149 PolarHBondContact N-O 3.49Å; L117-L150 HydrophobicContact CB-CD2 4.2Å; L117-L150 HydrophobicContact CD1-CD2 3.87Å; L117-L150 HydrophobicContact CG-CD2 4.24Å; L117-E151 PolarHBondContact O-N 3.27Å
118I97.5Very high97.5Very high11 Ų1114.6 Ų14.66%0.0569%0.086CC..EExtended strand (participates in β ladder)trans-79.3165173.960.7167.8000110.9S88 S120 Y125 E151 L314 I317S88-I118 PolarHBondContact OG-N 3Å; I118-S120 WeakPolarHBondContact O-CB 3.26Å; I118-S120 PolarHBondContact O-N 3.22Å; I118-S120 PolarHBondContact O-OG 2.9Å; I118-Y125 PolarHBondContact O-OH 2.78Å; I118-Y125 VanDerWaalsContact O-OH 3.11Å; I118-E151 CarbonylContact C-O 3.56Å; I118-L314 HydrophobicContact CD1-CD2 4.13Å; I118-L314 HydrophobicContact CD1-CG 4.09Å; I118-I317 HydrophobicContact CD1-CD1 3.94Å
119S97.6Very high97.4Very high1 Ų115 Ų151%0.0079%0.088CC..SBendtrans-39.2108.7172.6-64.90000112.6Y125 E151 P153 I155 H163 H167S119-Y125 VanDerWaalsContact CA-OH 3.24Å; S119-Y125 WeakPolarHBondContact CA-OH 3.3Å; S119-Y125 PolarHBondContact N-OH 2.84Å; S119-E151 PolarHBondContact N-O 2.85Å; S119-E151 VanDerWaalsContact N-O 3.11Å; S119-P153 WeakPolarHBondContact OG-CA 3.27Å; S119-I155 WeakPolarHBondContact OG-CD1 3.49Å; S119-H163 VanDerWaalsContact CB-ND1 3.35Å; S119-H163 WeakPolarHBondContact CB-ND1 3.48Å; S119-H163 PolarHBondContact N-ND1 3.2Å; S119-H163 PolarHBondContact OG-ND1 3.37Å; S119-H167 PolarHBondContact O-CD2 2.96Å
120S96.8Very high97.3Very high14 Ų1423 Ų2310%0.09812%0.118CC..  trans-134.7175.5-175.9-61.60000111.4I118 Y125I118-S120 WeakPolarHBondContact O-CB 3.26Å; I118-S120 PolarHBondContact O-N 3.22Å; I118-S120 PolarHBondContact O-OG 2.9Å; S120-Y125 PolarHBondContact N-OH 2.69Å; S120-Y125 WeakPolarHBondContact O-CE2 3.38Å
121T96.2Very high97.1Very high53 Ų5324.6 Ų24.633%0.32513%0.129SC..  trans-62153172.8650000112S123 F124 Y125 H167T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.46Å; T121-S123 PolarHBondContact OG1-OG 2.94Å; T121-S123 VanDerWaalsContact OG1-OG 3.06Å; T121-F124 PolarHBondContact O-N 3.43Å; T121-F124 WeakPolarHBondContact OG1-CB 3.38Å; T121-F124 PolarHBondContact OG1-N 3.35Å; T121-Y125 WeakPolarHBondContact O-CD2 3.12Å; T121-Y125 PolarHBondContact O-N 2.92Å; T121-H167 VanDerWaalsContact CG2-CE1 3.46Å; T121-H167 WeakPolarHBondContact CG2-CE1 3.44Å
122S96.4Very high97Very high38 Ų3824.6 Ų24.627%0.26613%0.129SC..Hα-helixtrans-61-36.8175.4178.20000112.6F124 Y125 Q126 S181 I182S122-F124 VanDerWaalsContact C-N 3.33Å; S122-F124 PolarHBondContact O-N 3.31Å; S122-Y125 PolarHBondContact O-N 2.6Å; S122-Q126 WeakPolarHBondContact O-CG 3.28Å; S122-Q126 PolarHBondContact O-N 3.14Å; S122-Q126 PolarHBondContact OG-NE2 2.83Å; S122-S181 PolarHBondContact OG-O 3.09Å; S122-I182 WeakPolarHBondContact CA-O 3.11Å; S122-I182 WeakPolarHBondContact CB-O 3.23Å; S122-I182 WeakPolarHBondContact OG-CA 3.44Å; S122-I182 PolarHBondContact OG-O 2.86Å
123S96.2Very high96.9Very high76 Ų7628.2 Ų28.253%0.53115%0.145SC..Hα-helixtrans-60.5-44.1176.547.80000111.5T121 K127T121-S123 VanDerWaalsContact C-N 3.27Å; T121-S123 PolarHBondContact O-N 3.46Å; T121-S123 PolarHBondContact OG1-OG 2.94Å; T121-S123 VanDerWaalsContact OG1-OG 3.06Å; S123-K127 WeakPolarHBondContact O-CB 3.42Å; S123-K127 PolarHBondContact O-N 3.14Å
124F96.6Very high96.7Very high3 Ų330.3 Ų30.31%0.01316%0.162CC..Hα-helixtrans-65.8-47.8177.6178.3-106.1000111.8L87 H89 D90 L94 L117 T121 S122 Q126 K127 A128L87-F124 WeakPolarHBondContact O-CZ 3.29Å; H89-F124 WeakPolarHBondContact O-CE2 3.24Å; D90-F124 HydrophobicContact CB-CD2 3.63Å; D90-F124 HydrophobicContact CB-CE2 4.22Å; D90-F124 HydrophobicContact CB-CG 4.43Å; L94-F124 HydrophobicContact CD1-CE2 4.42Å; L94-F124 HydrophobicContact CD2-CE2 4.01Å; L94-F124 HydrophobicContact CD2-CZ 4.48Å; L117-F124 HydrophobicContact CD1-CE1 4.47Å; L117-F124 HydrophobicContact CD2-CE1 4.37Å; T121-F124 PolarHBondContact O-N 3.43Å; T121-F124 WeakPolarHBondContact OG1-CB 3.38Å; T121-F124 PolarHBondContact OG1-N 3.35Å; S122-F124 VanDerWaalsContact C-N 3.33Å; S122-F124 PolarHBondContact O-N 3.31Å; F124-Q126 VanDerWaalsContact C-N 3.3Å; F124-Q126 PolarHBondContact O-N 3.25Å; F124-K127 WeakPolarHBondContact O-CB 3.36Å; F124-K127 PolarHBondContact O-N 2.95Å; F124-K127 VanDerWaalsContact O-N 3.08Å; F124-A128 HydrophobicContact CE1-CB 4.25Å; F124-A128 HydrophobicContact CE2-CB 4.46Å; F124-A128 HydrophobicContact CZ-CB 4.14Å; F124-A128 WeakPolarHBondContact O-CB 3.5Å; F124-A128 PolarHBondContact O-N 2.9Å
125Y97.2Very high96.5Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-53.7-48.2176.7-81.9-58.6000112.1L117 I118 S119 S120 T121 S122 K127 A128 L129 L150 G152 P153 I182 Y183L117-Y125 HydrophobicContact CB-CE1 4.05Å; L117-Y125 HydrophobicContact CD1-CD1 4.3Å; I118-Y125 PolarHBondContact O-OH 2.78Å; I118-Y125 VanDerWaalsContact O-OH 3.11Å; S119-Y125 VanDerWaalsContact CA-OH 3.24Å; S119-Y125 WeakPolarHBondContact CA-OH 3.3Å; S119-Y125 PolarHBondContact N-OH 2.84Å; S120-Y125 PolarHBondContact N-OH 2.69Å; S120-Y125 WeakPolarHBondContact O-CE2 3.38Å; T121-Y125 WeakPolarHBondContact O-CD2 3.12Å; T121-Y125 PolarHBondContact O-N 2.92Å; S122-Y125 PolarHBondContact O-N 2.6Å; Y125-K127 VanDerWaalsContact C-N 3.33Å; Y125-K127 PolarHBondContact O-N 2.74Å; Y125-A128 PolarHBondContact O-N 3.29Å; Y125-L129 WeakPolarHBondContact O-CB 3.31Å; Y125-L129 WeakPolarHBondContact O-CD1 3.42Å; Y125-L129 VanDerWaalsContact O-CG 3.27Å; Y125-L129 WeakPolarHBondContact O-CG 3.27Å; Y125-L129 PolarHBondContact O-N 3.35Å; Y125-L150 HydrophobicContact CD1-CD2 4.18Å; Y125-L150 HydrophobicContact CE1-CD2 4.16Å; Y125-G152 PolarHBondContact OH-O 3.01Å; Y125-G152 VanDerWaalsContact OH-O 3.07Å; Y125-P153 HydrophobicContact CE2-CB 4.47Å; Y125-P153 HydrophobicContact CE2-CG 3.86Å; Y125-P153 WeakPolarHBondContact OH-CD 3.42Å; Y125-I182 HydrophobicContact CD2-CG2 3.77Å; Y125-I182 HydrophobicContact CE2-CG2 4.09Å; Y125-Y183 AromaticContact CD1-CD1 3.97Å; Y125-Y183 HydrophobicContact CD1-CD1 3.97Å; Y125-Y183 HydrophobicContact CD1-CE1 4.03Å; Y125-Y183 HydrophobicContact CD2-CD1 4.07Å; Y125-Y183 HydrophobicContact CD2-CE1 4.13Å; Y125-Y183 HydrophobicContact CE1-CD1 4.37Å; Y125-Y183 AromaticContact CE1-CE1 3.94Å; Y125-Y183 HydrophobicContact CE1-CE1 3.94Å; Y125-Y183 HydrophobicContact CE2-CD1 4.43Å; Y125-Y183 HydrophobicContact CE2-CE1 4.03Å; Y125-Y183 AromaticContact CG-CD1 3.82Å; Y125-Y183 HydrophobicContact CG-CD1 3.82Å; Y125-Y183 HydrophobicContact CG-CE1 4.13Å; Y125-Y183 AromaticContact CZ-CE1 3.93Å
126Q96.2Very high96.2Very high68 Ų6836.9 Ų36.932%0.31820%0.197SC..Hα-helixtrans-66.1-34.1179.6-68.2-178.150.100112.6S122 F124 R130S122-Q126 WeakPolarHBondContact O-CG 3.28Å; S122-Q126 PolarHBondContact O-N 3.14Å; S122-Q126 PolarHBondContact OG-NE2 2.83Å; F124-Q126 VanDerWaalsContact C-N 3.3Å; F124-Q126 PolarHBondContact O-N 3.25Å; Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-NE 3.47Å
127K96.1Very high95.5Very high37 Ų3737.1 Ų37.116%0.16120%0.2CC..Hα-helixtrans-65.5-51.8172.2-173.6-174.5-176.2-177.80110.6D90 S91 E92 L94 S123 F124 Y125 L129 R130 S131D90-K127 WeakPolarHBondContact OD1-CD 3.44Å; D90-K127 IonicContact OD1-NZ 2.82Å; D90-K127 PolarHBondContact OD1-NZ 2.69Å; S91-K127 WeakPolarHBondContact O-CE 3.22Å; S91-K127 PolarHBondContact O-NZ 2.97Å; E92-K127 IonicContact OE1-NZ 3.74Å; E92-K127 PolarHBondContact OE1-NZ 3.48Å; L94-K127 HydrophobicContact CD1-CD 4.07Å; L94-K127 HydrophobicContact CD1-CG 4.01Å; S123-K127 WeakPolarHBondContact O-CB 3.42Å; S123-K127 PolarHBondContact O-N 3.14Å; F124-K127 WeakPolarHBondContact O-CB 3.36Å; F124-K127 PolarHBondContact O-N 2.95Å; F124-K127 VanDerWaalsContact O-N 3.08Å; Y125-K127 VanDerWaalsContact C-N 3.33Å; Y125-K127 PolarHBondContact O-N 2.74Å; K127-L129 PolarHBondContact O-N 3.14Å; K127-R130 WeakPolarHBondContact O-CB 3.44Å; K127-R130 PolarHBondContact O-N 2.96Å; K127-R130 VanDerWaalsContact O-N 3.12Å; K127-S131 PolarHBondContact O-N 3.3Å; K127-S131 VanDerWaalsContact O-N 3.11Å; K127-S131 PolarHBondContact O-OG 3.42Å
128A96.6Very high94.4Very high0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-61.6-41.4-178.400000112.6L117 F124 Y125 R130 S131 Y132L117-A128 HydrophobicContact CD1-CB 3.49Å; L117-A128 VanDerWaalsContact CD1-CB 3.49Å; F124-A128 HydrophobicContact CE1-CB 4.25Å; F124-A128 HydrophobicContact CE2-CB 4.46Å; F124-A128 HydrophobicContact CZ-CB 4.14Å; F124-A128 WeakPolarHBondContact O-CB 3.5Å; F124-A128 PolarHBondContact O-N 2.9Å; Y125-A128 PolarHBondContact O-N 3.29Å; A128-R130 PolarHBondContact O-N 3Å; A128-S131 PolarHBondContact O-N 2.77Å; A128-S131 VanDerWaalsContact O-N 3.08Å; A128-Y132 HydrophobicContact CB-CD2 3.77Å; A128-Y132 HydrophobicContact CB-CE2 3.85Å; A128-Y132 WeakPolarHBondContact O-CB 3.08Å; A128-Y132 PolarHBondContact O-N 2.81Å
129L96.1Very high93.1Very high11 Ų1138.7 Ų38.76%0.05822%0.218CC..Hα-helixtrans-63.2-26.3176.1-75.7162.5000113.7Y125 K127 K133 L148 Y183 L187 V190Y125-L129 WeakPolarHBondContact O-CB 3.31Å; Y125-L129 WeakPolarHBondContact O-CD1 3.42Å; Y125-L129 VanDerWaalsContact O-CG 3.27Å; Y125-L129 WeakPolarHBondContact O-CG 3.27Å; Y125-L129 PolarHBondContact O-N 3.35Å; K127-L129 PolarHBondContact O-N 3.14Å; L129-K133 PolarHBondContact O-NZ 3.42Å; L129-L148 HydrophobicContact CD2-CD1 3.51Å; L129-L148 HydrophobicContact CG-CD1 4.19Å; L129-Y183 WeakPolarHBondContact CD1-O 3.38Å; L129-L187 HydrophobicContact CD1-CD2 4.35Å; L129-V190 HydrophobicContact CD2-CG2 3.31Å
130R94.9Very high91.9Very high168 Ų16843.9 Ų43.963%0.63425%0.254SS*.Hα-helixtrans-81-32.3172.8-70.2-176.1-65.9-131.40.3112.4Q126 K127 A128 K133Q126-R130 WeakPolarHBondContact O-CG 3.43Å; Q126-R130 PolarHBondContact O-NE 3.47Å; K127-R130 WeakPolarHBondContact O-CB 3.44Å; K127-R130 PolarHBondContact O-N 2.96Å; K127-R130 VanDerWaalsContact O-N 3.12Å; A128-R130 PolarHBondContact O-N 3Å; R130-K133 WeakPolarHBondContact O-CE 3.48Å
131S95.5Very high91.2Very high34 Ų3448.8 Ų48.824%0.23827%0.273CS..Hα-helixtrans-90-44.6-175-60.90000113.6K127 A128 K133K127-S131 PolarHBondContact O-N 3.3Å; K127-S131 VanDerWaalsContact O-N 3.11Å; K127-S131 PolarHBondContact O-OG 3.42Å; A128-S131 PolarHBondContact O-N 2.77Å; A128-S131 VanDerWaalsContact O-N 3.08Å; S131-K133 PolarHBondContact O-N 2.88Å; S131-K133 VanDerWaalsContact O-N 3.15Å
132Y96Very high91.2Very high2 Ų246.3 Ų46.31%0.00826%0.258CS..  trans-85.290-176.8-61.3-36.5000110.7L87 L94 L98 L117 A128 L148L87-Y132 WeakPolarHBondContact CA-OH 3.47Å; L87-Y132 HydrophobicContact CD2-CE1 4.33Å; L87-Y132 WeakPolarHBondContact O-CE2 3.22Å; L87-Y132 PolarHBondContact O-OH 2.8Å; L94-Y132 HydrophobicContact CB-CD1 4.49Å; L94-Y132 HydrophobicContact CB-CE1 3.69Å; L94-Y132 WeakPolarHBondContact CD2-OH 3.31Å; L94-Y132 VanDerWaalsContact O-CE1 3.31Å; L94-Y132 WeakPolarHBondContact O-CE1 3.48Å; L98-Y132 HydrophobicContact CB-CD1 3.98Å; L98-Y132 HydrophobicContact CB-CE1 3.9Å; L98-Y132 HydrophobicContact CD2-CD1 3.64Å; L98-Y132 HydrophobicContact CD2-CE1 4.39Å; L98-Y132 HydrophobicContact CD2-CG 4.28Å; L98-Y132 HydrophobicContact CG-CD1 4.3Å; L117-Y132 HydrophobicContact CD1-CD2 4.33Å; L117-Y132 HydrophobicContact CD1-CE2 4.48Å; L117-Y132 HydrophobicContact CD2-CD2 4.04Å; L117-Y132 HydrophobicContact CD2-CE2 3.61Å; A128-Y132 HydrophobicContact CB-CD2 3.77Å; A128-Y132 HydrophobicContact CB-CE2 3.85Å; A128-Y132 WeakPolarHBondContact O-CB 3.08Å; A128-Y132 PolarHBondContact O-N 2.81Å; Y132-L148 HydrophobicContact CD2-CD2 3.77Å; Y132-L148 HydrophobicContact CG-CD2 4.16Å
133K95.5Very high91.3Very high77 Ų7744.6 Ų44.634%0.33525%0.246SC..  trans-93.7138.9178.2-60.1-51-166.1-177.10111.7L129 R130 S131 R135 E189L129-K133 PolarHBondContact O-NZ 3.42Å; R130-K133 WeakPolarHBondContact O-CE 3.48Å; S131-K133 PolarHBondContact O-N 2.88Å; S131-K133 VanDerWaalsContact O-N 3.15Å; K133-R135 PolarHBondContact O-N 3.26Å; K133-E189 VanDerWaalsContact CD-CD 3.47Å; K133-E189 HydrophobicContact CD-CG 3.61Å; K133-E189 IonicContact NZ-OE1 3.08Å; K133-E189 PolarHBondContact NZ-OE1 3.28Å
134A96.1Very high91.3Very high44 Ų4441.4 Ų41.436%0.36422%0.223SC..  trans-59134.9165.700000109.2V145 E189A134-V145 CarbonylContact C-O 3.55Å; A134-V145 VanDerWaalsContact CA-O 3.28Å; A134-V145 WeakPolarHBondContact CA-O 3.44Å; A134-E189 PolarHBondContact N-OE2 2.79Å
135R94.9Very high91.4Very high62 Ų6241.4 Ų41.423%0.23422%0.224CC..BIsolated β-bridgetrans-157.7143.8-175.959-172.2178.3-1713.9111D99 K133 T144 V145D99-R135 IonicContact OD1-CZ 4Å; D99-R135 IonicContact OD1-NH1 3.52Å; D99-R135 PolarHBondContact OD1-NH1 2.87Å; D99-R135 IonicContact OD1-NH2 3.94Å; D99-R135 PolarHBondContact OD1-NH2 3.38Å; K133-R135 PolarHBondContact O-N 3.26Å; R135-T144 WeakPolarHBondContact O-CG2 3.24Å; R135-V145 HydrophobicContact CG-CB 3.99Å; R135-V145 HydrophobicContact CG-CG2 4.06Å; R135-V145 PolarHBondContact N-O 3.28Å; R135-V145 PolarHBondContact O-N 3Å
136P90.8Very high91.4Very high75 Ų7543.2 Ų43.249%0.48723%0.233SC..  trans-61.2149.2174.927.9-34.7000110.7
137G84.5Confident91.5Very high6 Ų640.1 Ų40.16%0.06222%0.219CC..  trans-82-153.717200000112.4G142 T144G137-G142 CarbonylContact C-O 3.57Å; G137-G142 WeakPolarHBondContact CA-O 3.27Å; G137-T144 PolarHBondContact N-OG1 3.38Å; G137-T144 VanDerWaalsContact N-OG1 3.11Å
138G75.3Confident91.6Very high8 Ų838.4 Ų38.48%0.08221%0.212CC..  trans94.7153.517100000114.1C140 K141 G142 I402G138-C140 PolarHBondContact O-N 2.99Å; G138-K141 WeakPolarHBondContact O-CB 3.32Å; G138-K141 PolarHBondContact O-N 3.35Å; G138-G142 PolarHBondContact N-O 3.23Å; G138-I402 VanDerWaalsContact N-CG2 3.31Å
139G70.1Confident91.7Very high35 Ų3538.7 Ų38.736%0.36121%0.213SC..G310 helixtrans51.4-119.8179.900000113.3K141 I407G139-K141 VanDerWaalsContact C-N 3.28Å; G139-K141 PolarHBondContact O-N 3.14Å; G139-I407 WeakPolarHBondContact O-CD1 3.49Å
140C71.8Confident91.9Very high111 Ų11138.1 Ų38.175%0.7521%0.21SC*.G310 helixtrans-81.56.4-18058.70000115.1M103 G138M103-C140 VanDerWaalsContact SD-C 3.54Å; G138-C140 PolarHBondContact O-N 2.99Å
141K83.5Confident92Very high117 Ų11730.3 Ų30.351%0.50918%0.181SC..G310 helixtrans-107.7-12.5-175.9-60.5-177.9-179.4177.20114.9M103 G138 G139M103-K141 VanDerWaalsContact SD-C 3.51Å; G138-K141 WeakPolarHBondContact O-CB 3.32Å; G138-K141 PolarHBondContact O-N 3.35Å; G139-K141 VanDerWaalsContact C-N 3.28Å; G139-K141 PolarHBondContact O-N 3.14Å
142G94.7Very high92.2Very high0 Ų028.7 Ų28.70%017%0.169CC..  trans73.3-144.717700000113.6A102 M103 G137 G138 I402A102-G142 CarbonylContact O-C 3.56Å; A102-G142 WeakPolarHBondContact O-CA 3.45Å; M103-G142 PolarHBondContact SD-N 3.41Å; G137-G142 CarbonylContact C-O 3.57Å; G137-G142 WeakPolarHBondContact CA-O 3.27Å; G138-G142 PolarHBondContact N-O 3.23Å; G142-I402 VanDerWaalsContact C-CD1 3.44Å; G142-I402 WeakPolarHBondContact O-CD1 3.25Å
143A98Very high92.2Very high2 Ų228.6 Ų28.62%0.01717%0.169CC..SBendtrans-61.9141.6179.200000112.7A102 L105 P106 T111 F113 V145A102-A143 PolarHBondContact O-N 3.28Å; L105-A143 HydrophobicContact CB-CB 4.25Å; P106-A143 HydrophobicContact CG-CB 4.45Å; T111-A143 CarbonylContact O-C 3.52Å; T111-A143 WeakPolarHBondContact O-CA 3.28Å; F113-A143 HydrophobicContact CD1-CB 3.82Å; F113-A143 HydrophobicContact CE1-CB 3.98Å; A143-V145 PolarHBondContact O-N 2.93Å
144T98Very high92.4Very high10 Ų1024.9 Ų24.96%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-64.5129.4175-60.40000110.3T111 A112 F113 R135 G137 L146 K377T111-T144 PolarHBondContact O-N 3.32Å; A112-T144 CarbonylContact C-O 3.59Å; A112-T144 VanDerWaalsContact CA-O 3.24Å; A112-T144 WeakPolarHBondContact CA-O 3.48Å; F113-T144 WeakPolarHBondContact CD1-O 3.48Å; F113-T144 PolarHBondContact N-O 2.74Å; R135-T144 WeakPolarHBondContact O-CG2 3.24Å; G137-T144 PolarHBondContact N-OG1 3.38Å; G137-T144 VanDerWaalsContact N-OG1 3.11Å; T144-L146 HydrophobicContact CG2-CD2 3.94Å; T144-K377 PolarHBondContact OG1-NZ 3.47Å
145V98.1Very high92.5Very high3 Ų322.9 Ų22.92%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-87.7110.4169.6-178.70000107.6L98 F113 P115 A134 R135 A143L98-V145 HydrophobicContact CD1-CG2 4.15Å; L98-V145 HydrophobicContact CD2-CG1 4.29Å; L98-V145 HydrophobicContact CD2-CG2 4.11Å; L98-V145 HydrophobicContact CG-CG2 4.17Å; F113-V145 HydrophobicContact CE1-CG2 3.81Å; F113-V145 HydrophobicContact CZ-CG2 3.86Å; P115-V145 HydrophobicContact CG-CG1 3.63Å; A134-V145 CarbonylContact C-O 3.55Å; A134-V145 VanDerWaalsContact CA-O 3.28Å; A134-V145 WeakPolarHBondContact CA-O 3.44Å; R135-V145 HydrophobicContact CG-CB 3.99Å; R135-V145 HydrophobicContact CG-CG2 4.06Å; R135-V145 PolarHBondContact N-O 3.28Å; R135-V145 PolarHBondContact O-N 3Å; A143-V145 PolarHBondContact O-N 2.93Å
146L98Very high92.7Very high37 Ų3721.1 Ų21.119%0.19413%0.132CC..  trans-79.5-27-173.5-66.8172.4000113.5I75 A112 F113 T144 L371 I373 K377I75-L146 HydrophobicContact CG2-CD1 3.62Å; A112-L146 HydrophobicContact CB-CD1 3.78Å; A112-L146 HydrophobicContact CB-CD2 4.04Å; A112-L146 HydrophobicContact CB-CG 3.88Å; F113-L146 PolarHBondContact O-N 2.94Å; T144-L146 HydrophobicContact CG2-CD2 3.94Å; L146-L371 HydrophobicContact CD1-CD1 3.68Å; L146-I373 HydrophobicContact CD1-CD1 3.97Å; L146-I373 HydrophobicContact CD2-CD1 3.9Å; L146-K377 HydrophobicContact CD2-CD 4.11Å
147G97.8Very high93Very high3 Ų321.1 Ų21.13%0.03112%0.124CC..  trans142.2163.1-170.900000110C114 P115 E189 C191C114-G147 VanDerWaalsContact CA-O 3.26Å; C114-G147 WeakPolarHBondContact CA-O 3.37Å; C114-G147 WeakPolarHBondContact CB-O 3.45Å; P115-G147 WeakPolarHBondContact CD-O 3.3Å; G147-E189 CarbonylContact C-O 3.52Å; G147-E189 WeakPolarHBondContact CA-O 3.2Å; G147-C191 PolarHBondContact O-SG 3.48Å; G147-C191 VanDerWaalsContact O-SG 3.37Å
148L98.6Very high93.5Very high2 Ų224.3 Ų24.31%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-75.4141.5-177-72.9163.9000112.3P115 L117 L129 Y132 L150 E189 V190 C191 I192P115-L148 HydrophobicContact CB-CD2 4.08Å; P115-L148 WeakPolarHBondContact O-CA 3.5Å; L117-L148 HydrophobicContact CD1-CD2 4.11Å; L117-L148 HydrophobicContact CG-CD2 4.13Å; L129-L148 HydrophobicContact CD2-CD1 3.51Å; L129-L148 HydrophobicContact CG-CD1 4.19Å; Y132-L148 HydrophobicContact CD2-CD2 3.77Å; Y132-L148 HydrophobicContact CG-CD2 4.16Å; L148-L150 HydrophobicContact CB-CD2 4.25Å; L148-E189 HydrophobicContact CD1-CB 4.37Å; L148-E189 PolarHBondContact N-O 2.95Å; L148-V190 HydrophobicContact CB-CG2 4.45Å; L148-C191 PolarHBondContact O-N 3.01Å; L148-C191 PolarHBondContact O-SG 3.05Å; L148-I192 PolarHBondContact O-N 3.27Å
149H98.8Very high94.6Very high5 Ų527.4 Ų27.42%0.02315%0.154CC..EExtended strand (participates in β ladder)trans-102.7113.7161.7176.7179.5000108.2V77 C114 P115 T116 L117 I192 T194V77-H149 PolarHBondContact O-ND1 3.15Å; C114-H149 HydrophobicContact CB-CB 4.08Å; P115-H149 PolarHBondContact O-N 2.96Å; T116-H149 CarbonylContact C-O 3.55Å; T116-H149 VanDerWaalsContact CA-O 3.23Å; T116-H149 WeakPolarHBondContact CA-O 3.34Å; T116-H149 HydrophobicContact CG2-CB 4.3Å; T116-H149 PolarHBondContact OG1-ND1 3.2Å; L117-H149 PolarHBondContact N-O 3.49Å; H149-I192 CarbonylContact C-O 3.19Å; H149-I192 WeakPolarHBondContact CA-O 3.01Å; H149-I192 HydrophobicContact CB-CB 4.03Å; H149-I192 HydrophobicContact CB-CD1 4.27Å; H149-T194 PolarHBondContact NE2-OG1 2.83Å
150L98.7Very high95.8Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-92.7107.5173.2-50.6-178.8000109.1L117 Y125 L148 Y183 V190 I192 I193 T194L117-L150 HydrophobicContact CB-CD2 4.2Å; L117-L150 HydrophobicContact CD1-CD2 3.87Å; L117-L150 HydrophobicContact CG-CD2 4.24Å; Y125-L150 HydrophobicContact CD1-CD2 4.18Å; Y125-L150 HydrophobicContact CE1-CD2 4.16Å; L148-L150 HydrophobicContact CB-CD2 4.25Å; L150-Y183 HydrophobicContact CB-CE1 4.25Å; L150-Y183 HydrophobicContact CD1-CD1 3.67Å; L150-Y183 HydrophobicContact CD1-CD2 4.11Å; L150-Y183 HydrophobicContact CD1-CE1 3.63Å; L150-Y183 HydrophobicContact CD1-CE2 4.05Å; L150-Y183 HydrophobicContact CD1-CG 3.91Å; L150-Y183 HydrophobicContact CG-CE1 4.49Å; L150-V190 HydrophobicContact CD1-CG1 4.06Å; L150-V190 HydrophobicContact CD1-CG2 3.8Å; L150-V190 HydrophobicContact CG-CG1 4.03Å; L150-V190 HydrophobicContact CG-CG2 4.21Å; L150-I192 PolarHBondContact N-O 3.03Å; L150-I193 HydrophobicContact CB-CG1 4.23Å; L150-I193 HydrophobicContact CD1-CD1 4.43Å; L150-I193 HydrophobicContact CD1-CG1 4.39Å; L150-I193 CarbonylContact O-C 3.47Å; L150-I193 WeakPolarHBondContact O-CA 3.32Å; L150-T194 PolarHBondContact O-N 3.44Å
151E98.6Very high96.9Very high3 Ų323 Ų231%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-93.994.4178-169.6170.8-170.700110.7Q78 T116 L117 I118 S119 H163 T194 H220 H241Q78-E151 PolarHBondContact NE2-OE1 3.11Å; Q78-E151 PolarHBondContact NE2-OE2 3.32Å; T116-E151 HydrophobicContact CG2-CB 3.79Å; L117-E151 PolarHBondContact O-N 3.27Å; I118-E151 CarbonylContact C-O 3.56Å; S119-E151 PolarHBondContact N-O 2.85Å; S119-E151 VanDerWaalsContact N-O 3.11Å; E151-H163 PolarHBondContact O-CE1 3.41Å; E151-T194 HydrophobicContact CG-CG2 4.13Å; E151-H220 IonicContact OE1-CD2 2.95Å; E151-H220 PolarHBondContact OE1-CD2 3.29Å; E151-H220 IonicContact OE1-NE2 3.49Å; E151-H220 PolarHBondContact OE1-NE2 3.01Å; E151-H241 IonicContact OE1-CD2 2.71Å; E151-H241 IonicContact OE1-CE1 3.81Å; E151-H241 IonicContact OE1-NE2 3.94Å; E151-H241 PolarHBondContact OE1-NE2 2.85Å
152G97.7Very high97.4Very high0 Ų018.4 Ų18.40%011%0.111CC..  trans81-178.1-165.200000112.7Y125 Y183 T194Y125-G152 PolarHBondContact OH-O 3.01Å; Y125-G152 VanDerWaalsContact OH-O 3.07Å; G152-Y183 VanDerWaalsContact C-OH 3.32Å; G152-Y183 PolarHBondContact O-OH 3.42Å; G152-T194 PolarHBondContact N-O 2.84Å; G152-T194 VanDerWaalsContact N-O 3.14Å
153P98Very high97.5Very high0 Ų019 Ų190%011%0.114CC..SBendcis-90.76.316.534.8-31.8000114.8S119 Y125 I155 H167 I168 A169 I182 Y183S119-P153 WeakPolarHBondContact OG-CA 3.27Å; Y125-P153 HydrophobicContact CE2-CB 4.47Å; Y125-P153 HydrophobicContact CE2-CG 3.86Å; Y125-P153 WeakPolarHBondContact OH-CD 3.42Å; P153-I155 PolarHBondContact O-N 2.73Å; P153-H167 WeakPolarHBondContact CB-O 3.38Å; P153-I168 WeakPolarHBondContact O-CG2 3.21Å; P153-A169 HydrophobicContact CG-CB 4.46Å; P153-A169 PolarHBondContact O-N 3.37Å; P153-I182 HydrophobicContact CG-CD1 3.98Å; P153-I182 HydrophobicContact CG-CG2 3.71Å; P153-Y183 VanDerWaalsContact CD-OH 3.23Å; P153-Y183 WeakPolarHBondContact CD-OH 3.39Å
154F98.6Very high97.3Very high0 Ų021 Ų210%012%0.122CC..SBendtrans-81.661179.4-56.9-84000111.7A169 G171 F172 M178 L179 I182 Y183 L195 A196 L199F154-A169 HydrophobicContact CD1-CB 3.75Å; F154-A169 HydrophobicContact CE1-CB 3.78Å; F154-A169 HydrophobicContact CG-CB 4.45Å; F154-A169 HydrophobicContact CZ-CB 4.49Å; F154-G171 WeakPolarHBondContact CE1-O 3.26Å; F154-F172 HydrophobicContact CB-CD1 4.25Å; F154-F172 HydrophobicContact CB-CE1 3.43Å; F154-F172 VanDerWaalsContact CB-CE1 3.43Å; F154-F172 HydrophobicContact CB-CE2 4.14Å; F154-F172 HydrophobicContact CB-CZ 3.38Å; F154-F172 AromaticContact CD1-CD1 3.55Å; F154-F172 HydrophobicContact CD1-CD1 3.55Å; F154-F172 AromaticContact CD1-CE1 3.64Å; F154-F172 HydrophobicContact CD1-CE1 3.64Å; F154-F172 HydrophobicContact CD1-CG 4.05Å; F154-F172 HydrophobicContact CD1-CZ 4.17Å; F154-F172 HydrophobicContact CD2-CD1 4.44Å; F154-F172 HydrophobicContact CD2-CE1 4.01Å; F154-F172 AromaticContact CE1-CD1 3.98Å; F154-F172 HydrophobicContact CE1-CD1 3.98Å; F154-F172 HydrophobicContact CE1-CE1 4.41Å; F154-F172 HydrophobicContact CE1-CG 4.5Å; F154-F172 AromaticContact CG-CD1 3.81Å; F154-F172 HydrophobicContact CG-CD1 3.81Å; F154-F172 AromaticContact CG-CE1 3.4Å; F154-F172 HydrophobicContact CG-CE1 3.4Å; F154-F172 AromaticContact CG-CZ 3.89Å; F154-F172 HydrophobicContact CG-CZ 3.89Å; F154-M178 HydrophobicContact CE1-CB 3.79Å; F154-M178 HydrophobicContact CZ-CB 4.12Å; F154-L179 HydrophobicContact CD2-CD2 3.9Å; F154-L179 HydrophobicContact CE2-CD2 3.54Å; F154-L179 HydrophobicContact CE2-CG 4.5Å; F154-L179 HydrophobicContact CZ-CD2 3.91Å; F154-L179 HydrophobicContact CZ-CG 4.42Å; F154-I182 HydrophobicContact CE1-CD1 4.11Å; F154-I182 HydrophobicContact CE2-CD1 4.35Å; F154-I182 HydrophobicContact CZ-CB 4.29Å; F154-I182 HydrophobicContact CZ-CD1 3.69Å; F154-I182 HydrophobicContact CZ-CG1 4.33Å; F154-Y183 HydrophobicContact CD2-CE2 4.09Å; F154-Y183 AromaticContact CD2-CZ 3.97Å; F154-Y183 WeakPolarHBondContact CD2-OH 3.18Å; F154-Y183 HydrophobicContact CE2-CD2 4.35Å; F154-Y183 HydrophobicContact CE2-CE1 4.48Å; F154-Y183 AromaticContact CE2-CE2 3.61Å; F154-Y183 HydrophobicContact CE2-CE2 3.61Å; F154-Y183 AromaticContact CE2-CZ 3.69Å; F154-L195 HydrophobicContact CB-CB 4.23Å; F154-L195 CarbonylContact O-C 3.57Å; F154-L195 VanDerWaalsContact O-CA 3.26Å; F154-L195 WeakPolarHBondContact O-CA 3.09Å; F154-L195 WeakPolarHBondContact O-CB 3.48Å; F154-A196 PolarHBondContact O-N 2.78Å; F154-L199 VanDerWaalsContact C-CD1 3.42Å; F154-L199 HydrophobicContact CB-CD1 4.38Å; F154-L199 WeakPolarHBondContact O-CD1 3.29Å
155I98.5Very high97.2Very high1 Ų124.8 Ų24.81%0.00514%0.141CC..SBendtrans-123.8163.4-176.256.1166.7000111.2S119 P153 K157 H163 I168 H220S119-I155 WeakPolarHBondContact OG-CD1 3.49Å; P153-I155 PolarHBondContact O-N 2.73Å; I155-K157 PolarHBondContact O-N 3.4Å; I155-H163 HydrophobicContact CD1-CB 3.81Å; I155-I168 HydrophobicContact CD1-CD1 3.85Å; I155-I168 HydrophobicContact CD1-CG1 4.06Å; I155-I168 HydrophobicContact CG1-CD1 3.92Å; I155-I168 HydrophobicContact CG1-CG1 3.89Å; I155-I168 HydrophobicContact CG1-CG2 4.04Å; I155-I168 WeakPolarHBondContact O-CG2 3.37Å; I155-H220 HydrophobicContact CB-CB 3.54Å; I155-H220 HydrophobicContact CD1-CB 4Å; I155-H220 HydrophobicContact CG1-CB 4.36Å; I155-H220 HydrophobicContact CG2-CB 3.55Å
156N98Very high97.1Very high26 Ų2631.1 Ų31.114%0.13917%0.171CC..  trans-79.5122.8-179.1-165.5-53.1000110.7S158 R159 A160 A196 E198 H220 K222N156-S158 PolarHBondContact O-N 3.39Å; N156-S158 VanDerWaalsContact O-N 3.15Å; N156-S158 PolarHBondContact OD1-N 3.49Å; N156-S158 PolarHBondContact OD1-OG 2.63Å; N156-R159 HydrophobicContact CB-CB 4.31Å; N156-R159 CarbonylContact O-C 3.55Å; N156-R159 WeakPolarHBondContact O-CA 3.44Å; N156-R159 PolarHBondContact O-N 2.85Å; N156-A160 PolarHBondContact O-N 3.01Å; N156-A160 VanDerWaalsContact O-N 3.15Å; N156-A196 HydrophobicContact CB-CB 4.16Å; N156-E198 WeakPolarHBondContact CB-OE1 3.23Å; N156-E198 PolarHBondContact ND2-OE1 3.29Å; N156-H220 VanDerWaalsContact CB-O 3.23Å; N156-H220 WeakPolarHBondContact CB-O 3.38Å; N156-H220 PolarHBondContact N-O 3.08Å; N156-K222 WeakPolarHBondContact ND2-CD 3.47Å
157K97.3Very high97Very high75 Ų7531.6 Ų31.633%0.32617%0.172SC..G310 helixtrans-54.6-34.4179-69.4-177172.2-177.80113.7I155 R159 A160 I165 I168 E170I155-K157 PolarHBondContact O-N 3.4Å; K157-R159 PolarHBondContact O-N 3.23Å; K157-A160 WeakPolarHBondContact O-CB 3.38Å; K157-A160 PolarHBondContact O-N 3.28Å; K157-I165 HydrophobicContact CD-CG2 4.06Å; K157-I165 HydrophobicContact CG-CG2 4.31Å; K157-I168 HydrophobicContact CG-CB 4.02Å; K157-I168 HydrophobicContact CG-CD1 4.23Å; K157-I168 HydrophobicContact CG-CG2 3.6Å; K157-E170 IonicContact NZ-OE1 2.71Å; K157-E170 PolarHBondContact NZ-OE1 2.74Å; K157-E170 IonicContact NZ-OE2 2.61Å
158S96.4Very high97Very high72 Ų7231.9 Ų31.950%0.50317%0.172SC..G310 helixtrans-76.1-4.2177.9101.30000113.5N156 K222N156-S158 PolarHBondContact O-N 3.39Å; N156-S158 VanDerWaalsContact O-N 3.15Å; N156-S158 PolarHBondContact OD1-N 3.49Å; N156-S158 PolarHBondContact OD1-OG 2.63Å; S158-K222 VanDerWaalsContact OG-CD 3.3Å; S158-K222 WeakPolarHBondContact OG-CD 3.24Å
159R96.6Very high96.9Very high74 Ų7432.3 Ų32.328%0.27918%0.177SC..G310 helixtrans-128.928.8177.1-62.3-65.3-174.7-160.2-1.9110N156 K157 G161 H220 K222 A245 M246N156-R159 HydrophobicContact CB-CB 4.31Å; N156-R159 CarbonylContact O-C 3.55Å; N156-R159 WeakPolarHBondContact O-CA 3.44Å; N156-R159 PolarHBondContact O-N 2.85Å; K157-R159 PolarHBondContact O-N 3.23Å; R159-G161 PolarHBondContact O-N 2.85Å; R159-H220 WeakPolarHBondContact O-CB 3.18Å; R159-H220 PolarHBondContact O-ND1 2.86Å; R159-K222 HydrophobicContact CG-CG 3.86Å; R159-A245 WeakPolarHBondContact CB-O 3.28Å; R159-M246 VanDerWaalsContact CZ-O 3.32Å; R159-M246 PolarHBondContact NE-O 3.5Å
160A96.2Very high96.6Very high7 Ų739 Ų396%0.05821%0.208CC..  trans-59.6-30.7-179.800000112.7N156 K157 A162 H163 I165 I168 H220N156-A160 PolarHBondContact O-N 3.01Å; N156-A160 VanDerWaalsContact O-N 3.15Å; K157-A160 WeakPolarHBondContact O-CB 3.38Å; K157-A160 PolarHBondContact O-N 3.28Å; A160-A162 PolarHBondContact O-N 3.18Å; A160-H163 HydrophobicContact CB-CB 4.41Å; A160-H163 VanDerWaalsContact O-CB 3.31Å; A160-H163 WeakPolarHBondContact O-CB 3.26Å; A160-H163 PolarHBondContact O-CD2 2.87Å; A160-H163 PolarHBondContact O-N 3.33Å; A160-I165 HydrophobicContact CB-CG1 4.21Å; A160-I168 HydrophobicContact CB-CD1 3.55Å; A160-H220 PolarHBondContact O-CE1 3.24Å; A160-H220 PolarHBondContact O-ND1 2.91Å
161G94.3Very high96.4Very high45 Ų4539.6 Ų39.646%0.46421%0.213SC..THydrogen-bonded Turntrans61.2-124.6-172.200000109.4R159 H163R159-G161 PolarHBondContact O-N 2.85Å; G161-H163 VanDerWaalsContact C-N 3.35Å
162A94.5Very high96.3Very high22 Ų2239.4 Ų39.418%0.18221%0.213CC..THydrogen-bonded Turntrans-81.5-7.9175.400000114.2A160 I317 V328 I335A160-A162 PolarHBondContact O-N 3.18Å; A162-I317 WeakPolarHBondContact O-CD1 3.41Å; A162-V328 HydrophobicContact CB-CG2 4.05Å; A162-I335 HydrophobicContact CB-CB 3.78Å; A162-I335 HydrophobicContact CB-CD1 3.9Å; A162-I335 HydrophobicContact CB-CG1 3.63Å
163H96.1Very high96.2Very high13 Ų1340.4 Ų40.46%0.0622%0.223CC..SBendtrans-66.6136.2-177.8-67.1-118.4000111.3S119 E151 I155 A160 G161 I165 I168 H220S119-H163 VanDerWaalsContact CB-ND1 3.35Å; S119-H163 WeakPolarHBondContact CB-ND1 3.48Å; S119-H163 PolarHBondContact N-ND1 3.2Å; S119-H163 PolarHBondContact OG-ND1 3.37Å; E151-H163 PolarHBondContact O-CE1 3.41Å; I155-H163 HydrophobicContact CD1-CB 3.81Å; A160-H163 HydrophobicContact CB-CB 4.41Å; A160-H163 VanDerWaalsContact O-CB 3.31Å; A160-H163 WeakPolarHBondContact O-CB 3.26Å; A160-H163 PolarHBondContact O-CD2 2.87Å; A160-H163 PolarHBondContact O-N 3.33Å; G161-H163 VanDerWaalsContact C-N 3.35Å; H163-I165 PolarHBondContact O-N 2.93Å; H163-I168 HydrophobicContact CB-CD1 4.34Å; H163-H220 AromaticContact CD2-CE1 3.4Å; H163-H220 PolarHBondContact CD2-CE1 3.17Å; H163-H220 VanDerWaalsContact CD2-CE1 3.4Å; H163-H220 AromaticContact CD2-ND1 3.89Å; H163-H220 AromaticContact NE2-CE1 3.47Å; H163-H220 PolarHBondContact NE2-CE1 3.06Å; H163-H220 AromaticContact NE2-NE2 3.61Å
164Q94.5Very high95.9Very high42 Ų4247.5 Ų47.520%0.19626%0.256CS..  trans-65.7121.2174.3-79.9172.9-28.600110.8E166 H167 I317Q164-E166 VanDerWaalsContact C-N 3.25Å; Q164-E166 HydrophobicContact CB-CG 4.27Å; Q164-E166 PolarHBondContact O-N 3.44Å; Q164-H167 PolarHBondContact O-N 3.03Å; Q164-H167 VanDerWaalsContact O-N 3.1Å; Q164-H167 PolarHBondContact OE1-CD2 2.94Å; Q164-H167 VanDerWaalsContact OE1-CD2 3.25Å; Q164-H167 PolarHBondContact OE1-NE2 3.25Å; Q164-I317 HydrophobicContact CG-CD1 4.26Å; Q164-I317 HydrophobicContact CG-CG1 3.97Å
165I95.8Very high95.5Very high90 Ų9054.4 Ų54.446%0.46229%0.293SS..G310 helixtrans-63.9-33.3-171.3-67.6175.1000111.5K157 A160 H163 H167 I168K157-I165 HydrophobicContact CD-CG2 4.06Å; K157-I165 HydrophobicContact CG-CG2 4.31Å; A160-I165 HydrophobicContact CB-CG1 4.21Å; H163-I165 PolarHBondContact O-N 2.93Å; I165-H167 PolarHBondContact O-N 3.45Å; I165-I168 PolarHBondContact O-N 3.03Å
166E95.9Very high95.2Very high137 Ų13754.5 Ų54.564%0.6429%0.293SS*.G310 helixtrans-63.4-22.4177.160.2-93.3-132.600113.5Q164Q164-E166 VanDerWaalsContact C-N 3.25Å; Q164-E166 HydrophobicContact CB-CG 4.27Å; Q164-E166 PolarHBondContact O-N 3.44Å
167H96.4Very high95.1Very high46 Ų4657.1 Ų57.121%0.21331%0.305CS..G310 helixtrans-93.7-11.6177.2-64.2-24.3000113.1S119 T121 P153 Q164 I165 A169S119-H167 PolarHBondContact O-CD2 2.96Å; T121-H167 VanDerWaalsContact CG2-CE1 3.46Å; T121-H167 WeakPolarHBondContact CG2-CE1 3.44Å; P153-H167 WeakPolarHBondContact CB-O 3.38Å; Q164-H167 PolarHBondContact O-N 3.03Å; Q164-H167 VanDerWaalsContact O-N 3.1Å; Q164-H167 PolarHBondContact OE1-CD2 2.94Å; Q164-H167 VanDerWaalsContact OE1-CD2 3.25Å; Q164-H167 PolarHBondContact OE1-NE2 3.25Å; I165-H167 PolarHBondContact O-N 3.45Å; H167-A169 PolarHBondContact O-N 3.44Å
168I97.5Very high95.1Very high9 Ų956.7 Ų56.75%0.04631%0.305CS..  trans-75125.9-178.3-64176.6000110.4P153 I155 K157 A160 H163 I165P153-I168 WeakPolarHBondContact O-CG2 3.21Å; I155-I168 HydrophobicContact CD1-CD1 3.85Å; I155-I168 HydrophobicContact CD1-CG1 4.06Å; I155-I168 HydrophobicContact CG1-CD1 3.92Å; I155-I168 HydrophobicContact CG1-CG1 3.89Å; I155-I168 HydrophobicContact CG1-CG2 4.04Å; I155-I168 WeakPolarHBondContact O-CG2 3.37Å; K157-I168 HydrophobicContact CG-CB 4.02Å; K157-I168 HydrophobicContact CG-CD1 4.23Å; K157-I168 HydrophobicContact CG-CG2 3.6Å; A160-I168 HydrophobicContact CB-CD1 3.55Å; H163-I168 HydrophobicContact CB-CD1 4.34Å; I165-I168 PolarHBondContact O-N 3.03Å
169A96.6Very high95.1Very high12 Ų1253.4 Ų53.410%0.09928%0.282CS..  trans-73.7143.1177.600000111.3P153 F154 H167 G171 I182P153-A169 HydrophobicContact CG-CB 4.46Å; P153-A169 PolarHBondContact O-N 3.37Å; F154-A169 HydrophobicContact CD1-CB 3.75Å; F154-A169 HydrophobicContact CE1-CB 3.78Å; F154-A169 HydrophobicContact CG-CB 4.45Å; F154-A169 HydrophobicContact CZ-CB 4.49Å; H167-A169 PolarHBondContact O-N 3.44Å; A169-G171 VanDerWaalsContact C-N 3.26Å; A169-G171 PolarHBondContact O-N 2.91Å; A169-I182 HydrophobicContact CB-CD1 3.73Å
170E92.3Very high95Very high146 Ų14655.1 Ų55.168%0.68229%0.291SS*.SBendtrans-70-22.6178.7-65.2-63.9165.500113.4K157K157-E170 IonicContact NZ-OE1 2.71Å; K157-E170 PolarHBondContact NZ-OE1 2.74Å; K157-E170 IonicContact NZ-OE2 2.61Å
171G94.8Very high95.1Very high11 Ų1158.2 Ų58.211%0.11331%0.313CS..BIsolated β-bridgetrans171.5-173.7-178.300000111.5F154 A169F154-G171 WeakPolarHBondContact CE1-O 3.26Å; A169-G171 VanDerWaalsContact C-N 3.26Å; A169-G171 PolarHBondContact O-N 2.91Å
172F97.3Very high95.2Very high0 Ų057 Ų570%030%0.295CS..  trans-89.3-10.7-174.6-63.4-89.7000113.9F154 C176 M178 L179 L195 L199 T200 N201 G202 A205F154-F172 HydrophobicContact CB-CD1 4.25Å; F154-F172 HydrophobicContact CB-CE1 3.43Å; F154-F172 VanDerWaalsContact CB-CE1 3.43Å; F154-F172 HydrophobicContact CB-CE2 4.14Å; F154-F172 HydrophobicContact CB-CZ 3.38Å; F154-F172 AromaticContact CD1-CD1 3.55Å; F154-F172 HydrophobicContact CD1-CD1 3.55Å; F154-F172 AromaticContact CD1-CE1 3.64Å; F154-F172 HydrophobicContact CD1-CE1 3.64Å; F154-F172 HydrophobicContact CD1-CG 4.05Å; F154-F172 HydrophobicContact CD1-CZ 4.17Å; F154-F172 HydrophobicContact CD2-CD1 4.44Å; F154-F172 HydrophobicContact CD2-CE1 4.01Å; F154-F172 AromaticContact CE1-CD1 3.98Å; F154-F172 HydrophobicContact CE1-CD1 3.98Å; F154-F172 HydrophobicContact CE1-CE1 4.41Å; F154-F172 HydrophobicContact CE1-CG 4.5Å; F154-F172 AromaticContact CG-CD1 3.81Å; F154-F172 HydrophobicContact CG-CD1 3.81Å; F154-F172 AromaticContact CG-CE1 3.4Å; F154-F172 HydrophobicContact CG-CE1 3.4Å; F154-F172 AromaticContact CG-CZ 3.89Å; F154-F172 HydrophobicContact CG-CZ 3.89Å; F172-C176 CarbonylContact O-C 3.48Å; F172-C176 VanDerWaalsContact O-CA 3.25Å; F172-C176 WeakPolarHBondContact O-CA 3.34Å; F172-M178 VanDerWaalsContact O-CB 3.27Å; F172-M178 WeakPolarHBondContact O-CB 3.44Å; F172-M178 PolarHBondContact O-N 3.49Å; F172-M178 VanDerWaalsContact O-N 3.11Å; F172-L179 HydrophobicContact CD1-CD2 3.92Å; F172-L179 HydrophobicContact CD1-CG 4.05Å; F172-L179 HydrophobicContact CE1-CD2 4.03Å; F172-L195 HydrophobicContact CE1-CD2 4Å; F172-L195 HydrophobicContact CZ-CB 3.96Å; F172-L195 HydrophobicContact CZ-CD1 4.14Å; F172-L195 HydrophobicContact CZ-CD2 3.81Å; F172-L195 HydrophobicContact CZ-CG 4.19Å; F172-L199 HydrophobicContact CD2-CB 4.35Å; F172-L199 HydrophobicContact CE2-CB 3.99Å; F172-L199 HydrophobicContact CE2-CD1 4.38Å; F172-T200 WeakPolarHBondContact CD2-O 3.45Å; F172-T200 PolarHBondContact N-O 3.24Å; F172-N201 HydrophobicContact CB-CB 4.21Å; F172-G202 VanDerWaalsContact CD2-CA 3.5Å; F172-A205 HydrophobicContact CB-CB 4.14Å; F172-A205 HydrophobicContact CD1-CB 3.24Å; F172-A205 HydrophobicContact CD2-CB 4.02Å; F172-A205 HydrophobicContact CE1-CB 3.45Å; F172-A205 VanDerWaalsContact CE1-CB 3.45Å; F172-A205 HydrophobicContact CE2-CB 4.22Å; F172-A205 HydrophobicContact CG-CB 3.53Å; F172-A205 HydrophobicContact CZ-CB 3.93Å
173G93.6Very high95.3Very high20 Ų2056.1 Ų56.121%0.20629%0.287CS..  trans68.9177.1-17300000113.6N175 C176 E177 N201G173-N175 PolarHBondContact O-N 2.93Å; G173-C176 PolarHBondContact O-N 2.85Å; G173-E177 VanDerWaalsContact C-CD 3.43Å; G173-E177 VanDerWaalsContact CA-CD 3.43Å; G173-E177 WeakPolarHBondContact CA-OE1 3.46Å; G173-E177 WeakPolarHBondContact CA-OE2 3.44Å; G173-N201 VanDerWaalsContact C-ND2 3.31Å; G173-N201 PolarHBondContact O-ND2 3.19Å
174E92.2Very high95.3Very high150 Ų15056.1 Ų56.170%0.70129%0.291SS*.G310 helixtrans-67.1123.3176.2-68.3-169.517500113.6C176 E177E174-C176 PolarHBondContact O-N 2.89Å; E174-E177 WeakPolarHBondContact CA-OE2 3.48Å; E174-E177 PolarHBondContact N-OE1 3.45Å; E174-E177 PolarHBondContact N-OE2 3.5Å
175N90.4Very high95.2Very high144 Ų14464.9 Ų64.977%0.7732%0.322SS*.G310 helixtrans61.526.2-175.8-52.4-68.7000114G173 E177G173-N175 PolarHBondContact O-N 2.93Å; N175-E177 PolarHBondContact O-N 3.19Å
176C93Very high95.1Very high3 Ų365.4 Ų65.42%0.0233%0.326CS..G310 helixtrans61.428175.5-47.60000114.1F172 G173 E174 M178 L179 A205F172-C176 CarbonylContact O-C 3.48Å; F172-C176 VanDerWaalsContact O-CA 3.25Å; F172-C176 WeakPolarHBondContact O-CA 3.34Å; G173-C176 PolarHBondContact O-N 2.85Å; E174-C176 PolarHBondContact O-N 2.89Å; C176-M178 PolarHBondContact O-N 2.89Å; C176-L179 HydrophobicContact CB-CD1 3.72Å; C176-L179 HydrophobicContact CB-CG 4.25Å; C176-L179 WeakPolarHBondContact O-CB 3.5Å; C176-L179 PolarHBondContact O-N 2.96Å; C176-A205 WeakPolarHBondContact SG-CA 3.37Å; C176-A205 PolarHBondContact SG-N 3.4Å
177E95.5Very high95.1Very high82 Ų8259.9 Ų59.938%0.38330%0.3SS..Hα-helixtrans-55.9-32.4174.381.7-71.6-159.300112.9G173 E174 N175 L179 K180 S181G173-E177 VanDerWaalsContact C-CD 3.43Å; G173-E177 VanDerWaalsContact CA-CD 3.43Å; G173-E177 WeakPolarHBondContact CA-OE1 3.46Å; G173-E177 WeakPolarHBondContact CA-OE2 3.44Å; E174-E177 WeakPolarHBondContact CA-OE2 3.48Å; E174-E177 PolarHBondContact N-OE1 3.45Å; E174-E177 PolarHBondContact N-OE2 3.5Å; N175-E177 PolarHBondContact O-N 3.19Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.22Å; E177-K180 PolarHBondContact O-N 2.73Å; E177-K180 VanDerWaalsContact O-N 3.11Å; E177-S181 PolarHBondContact O-N 3.35Å
178M96.8Very high95.1Very high65 Ų6561.5 Ų61.532%0.3232%0.317SS..Hα-helixtrans-65.4-30.5177.3-66.1-58.5-60.800112.8F154 F172 C176 K180 S181 I182F154-M178 HydrophobicContact CE1-CB 3.79Å; F154-M178 HydrophobicContact CZ-CB 4.12Å; F172-M178 VanDerWaalsContact O-CB 3.27Å; F172-M178 WeakPolarHBondContact O-CB 3.44Å; F172-M178 PolarHBondContact O-N 3.49Å; F172-M178 VanDerWaalsContact O-N 3.11Å; C176-M178 PolarHBondContact O-N 2.89Å; M178-K180 VanDerWaalsContact C-N 3.28Å; M178-K180 PolarHBondContact O-N 2.89Å; M178-S181 PolarHBondContact O-N 2.67Å; M178-I182 HydrophobicContact CE-CD1 4.09Å; M178-I182 HydrophobicContact CE-CG1 4.21Å; M178-I182 WeakPolarHBondContact O-CB 3.44Å; M178-I182 WeakPolarHBondContact O-CG1 3.35Å; M178-I182 PolarHBondContact O-N 2.68Å
179L96.8Very high95.1Very high4 Ų462.9 Ų62.92%0.02132%0.323CS..Hα-helixtrans-57-46.5172.6-69.5173.2000110.4F154 F172 C176 E177 Y183 A205 L209F154-L179 HydrophobicContact CD2-CD2 3.9Å; F154-L179 HydrophobicContact CE2-CD2 3.54Å; F154-L179 HydrophobicContact CE2-CG 4.5Å; F154-L179 HydrophobicContact CZ-CD2 3.91Å; F154-L179 HydrophobicContact CZ-CG 4.42Å; F172-L179 HydrophobicContact CD1-CD2 3.92Å; F172-L179 HydrophobicContact CD1-CG 4.05Å; F172-L179 HydrophobicContact CE1-CD2 4.03Å; C176-L179 HydrophobicContact CB-CD1 3.72Å; C176-L179 HydrophobicContact CB-CG 4.25Å; C176-L179 WeakPolarHBondContact O-CB 3.5Å; C176-L179 PolarHBondContact O-N 2.96Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.22Å; L179-Y183 HydrophobicContact CD2-CD2 4.24Å; L179-Y183 HydrophobicContact CD2-CE2 3.83Å; L179-Y183 WeakPolarHBondContact O-CB 3.37Å; L179-Y183 PolarHBondContact O-N 3.2Å; L179-A205 HydrophobicContact CD1-CB 4.34Å; L179-L209 HydrophobicContact CD1-CD1 4.27Å; L179-L209 HydrophobicContact CD1-CD2 3.97Å; L179-L209 HydrophobicContact CD1-CG 4.02Å; L179-L209 HydrophobicContact CD2-CD1 4.37Å
180K95.4Very high95.2Very high109 Ų10962.8 Ų62.847%0.47432%0.321SS..Hα-helixtrans-71.6-36.4-179.5-62.8174.4-173.6166.10111.8E177 M178 G184E177-K180 PolarHBondContact O-N 2.73Å; E177-K180 VanDerWaalsContact O-N 3.11Å; M178-K180 VanDerWaalsContact C-N 3.28Å; M178-K180 PolarHBondContact O-N 2.89Å; K180-G184 WeakPolarHBondContact CA-O 3.36Å; K180-G184 CarbonylContact O-C 3.6Å; K180-G184 WeakPolarHBondContact O-CA 3.38Å; K180-G184 PolarHBondContact O-N 3.42Å
181S96.3Very high95.4Very high73 Ų7356.9 Ų56.951%0.5130%0.296SS..Hα-helixtrans-66.6-41.1178.1-170.60000111.6S122 E177 M178S122-S181 PolarHBondContact OG-O 3.09Å; E177-S181 PolarHBondContact O-N 3.35Å; M178-S181 PolarHBondContact O-N 2.67Å
182I97.4Very high95.6Very high20 Ų2056.5 Ų56.510%0.10329%0.291CS..Hα-helixtrans-82.6-54.2-175.2-68-176.8000111.3S122 Y125 P153 F154 A169 M178S122-I182 WeakPolarHBondContact CA-O 3.11Å; S122-I182 WeakPolarHBondContact CB-O 3.23Å; S122-I182 WeakPolarHBondContact OG-CA 3.44Å; S122-I182 PolarHBondContact OG-O 2.86Å; Y125-I182 HydrophobicContact CD2-CG2 3.77Å; Y125-I182 HydrophobicContact CE2-CG2 4.09Å; P153-I182 HydrophobicContact CG-CD1 3.98Å; P153-I182 HydrophobicContact CG-CG2 3.71Å; F154-I182 HydrophobicContact CE1-CD1 4.11Å; F154-I182 HydrophobicContact CE2-CD1 4.35Å; F154-I182 HydrophobicContact CZ-CB 4.29Å; F154-I182 HydrophobicContact CZ-CD1 3.69Å; F154-I182 HydrophobicContact CZ-CG1 4.33Å; A169-I182 HydrophobicContact CB-CD1 3.73Å; M178-I182 HydrophobicContact CE-CD1 4.09Å; M178-I182 HydrophobicContact CE-CG1 4.21Å; M178-I182 WeakPolarHBondContact O-CB 3.44Å; M178-I182 WeakPolarHBondContact O-CG1 3.35Å; M178-I182 PolarHBondContact O-N 2.68Å
183Y97.2Very high95.7Very high2 Ų256.5 Ų56.51%0.00829%0.291CS..Hα-helixtrans-86.6-17.3-175.8-57.4-43.8000113.6Y125 L129 L150 G152 P153 F154 L179 L187 I193Y125-Y183 AromaticContact CD1-CD1 3.97Å; Y125-Y183 HydrophobicContact CD1-CD1 3.97Å; Y125-Y183 HydrophobicContact CD1-CE1 4.03Å; Y125-Y183 HydrophobicContact CD2-CD1 4.07Å; Y125-Y183 HydrophobicContact CD2-CE1 4.13Å; Y125-Y183 HydrophobicContact CE1-CD1 4.37Å; Y125-Y183 AromaticContact CE1-CE1 3.94Å; Y125-Y183 HydrophobicContact CE1-CE1 3.94Å; Y125-Y183 HydrophobicContact CE2-CD1 4.43Å; Y125-Y183 HydrophobicContact CE2-CE1 4.03Å; Y125-Y183 AromaticContact CG-CD1 3.82Å; Y125-Y183 HydrophobicContact CG-CD1 3.82Å; Y125-Y183 HydrophobicContact CG-CE1 4.13Å; Y125-Y183 AromaticContact CZ-CE1 3.93Å; L129-Y183 WeakPolarHBondContact CD1-O 3.38Å; L150-Y183 HydrophobicContact CB-CE1 4.25Å; L150-Y183 HydrophobicContact CD1-CD1 3.67Å; L150-Y183 HydrophobicContact CD1-CD2 4.11Å; L150-Y183 HydrophobicContact CD1-CE1 3.63Å; L150-Y183 HydrophobicContact CD1-CE2 4.05Å; L150-Y183 HydrophobicContact CD1-CG 3.91Å; L150-Y183 HydrophobicContact CG-CE1 4.49Å; G152-Y183 VanDerWaalsContact C-OH 3.32Å; G152-Y183 PolarHBondContact O-OH 3.42Å; P153-Y183 VanDerWaalsContact CD-OH 3.23Å; P153-Y183 WeakPolarHBondContact CD-OH 3.39Å; F154-Y183 HydrophobicContact CD2-CE2 4.09Å; F154-Y183 AromaticContact CD2-CZ 3.97Å; F154-Y183 WeakPolarHBondContact CD2-OH 3.18Å; F154-Y183 HydrophobicContact CE2-CD2 4.35Å; F154-Y183 HydrophobicContact CE2-CE1 4.48Å; F154-Y183 AromaticContact CE2-CE2 3.61Å; F154-Y183 HydrophobicContact CE2-CE2 3.61Å; F154-Y183 AromaticContact CE2-CZ 3.69Å; L179-Y183 HydrophobicContact CD2-CD2 4.24Å; L179-Y183 HydrophobicContact CD2-CE2 3.83Å; L179-Y183 WeakPolarHBondContact O-CB 3.37Å; L179-Y183 PolarHBondContact O-N 3.2Å; Y183-L187 HydrophobicContact CD2-CD2 4.25Å; Y183-L187 HydrophobicContact CG-CD2 4.28Å; Y183-I193 HydrophobicContact CE2-CD1 4Å
184G94.6Very high95.9Very high13 Ų1355.5 Ų55.513%0.13428%0.281CS..  trans89.3179.7-165.900000112.4K180K180-G184 WeakPolarHBondContact CA-O 3.36Å; K180-G184 CarbonylContact O-C 3.6Å; K180-G184 WeakPolarHBondContact O-CA 3.38Å; K180-G184 PolarHBondContact O-N 3.42Å
185R92.6Very high96.3Very high227 Ų22748.4 Ų48.486%0.85725%0.248SC*.SBendtrans-83.2-28.2-173.1-64.8-179.2-178.5-1790.6113.6
186D94.6Very high96.6Very high100 Ų10041.5 Ų41.554%0.53521%0.211SC..  trans-97.1117.7-176.7-172.910.1000110.2S188D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.44Å; D186-S188 PolarHBondContact OD1-N 3.25Å; D186-S188 PolarHBondContact OD1-OG 2.83Å
187L96.6Very high96.9Very high21 Ų2141.5 Ų41.511%0.1121%0.211CC..  trans-120.221.5177.7-58.9177.6000110.6L129 Y183 E189 V190 L209 I214L129-L187 HydrophobicContact CD1-CD2 4.35Å; Y183-L187 HydrophobicContact CD2-CD2 4.25Å; Y183-L187 HydrophobicContact CG-CD2 4.28Å; L187-E189 PolarHBondContact O-N 3.48Å; L187-V190 HydrophobicContact CB-CB 4.31Å; L187-V190 HydrophobicContact CB-CG2 4.16Å; L187-V190 HydrophobicContact CD2-CG2 4.06Å; L187-V190 PolarHBondContact O-N 2.98Å; L187-L209 HydrophobicContact CD1-CD2 4.31Å; L187-I214 HydrophobicContact CB-CD1 3.95Å; L187-I214 HydrophobicContact CD1-CD1 3.89Å
188S96.1Very high97Very high80 Ų8040 Ų4056%0.55920%0.204SC*.THydrogen-bonded Turntrans-58.2-29.9-176.266.20000113.5D186D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.44Å; D186-S188 PolarHBondContact OD1-N 3.25Å; D186-S188 PolarHBondContact OD1-OG 2.83Å
189E96.7Very high97Very high38 Ų3838.1 Ų38.118%0.17820%0.195CC..THydrogen-bonded Turntrans-87.4-5.4179.6-53.7-55.4147.800113.2K133 A134 G147 L148 L187K133-E189 VanDerWaalsContact CD-CD 3.47Å; K133-E189 HydrophobicContact CD-CG 3.61Å; K133-E189 IonicContact NZ-OE1 3.08Å; K133-E189 PolarHBondContact NZ-OE1 3.28Å; A134-E189 PolarHBondContact N-OE2 2.79Å; G147-E189 CarbonylContact C-O 3.52Å; G147-E189 WeakPolarHBondContact CA-O 3.2Å; L148-E189 HydrophobicContact CD1-CB 4.37Å; L148-E189 PolarHBondContact N-O 2.95Å; L187-E189 PolarHBondContact O-N 3.48Å
190V98.4Very high97Very high10 Ų1042.7 Ų42.76%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-92.1121.7-175.3-176.80000109.8L129 L148 L150 L187 I192 I193 I214L129-V190 HydrophobicContact CD2-CG2 3.31Å; L148-V190 HydrophobicContact CB-CG2 4.45Å; L150-V190 HydrophobicContact CD1-CG1 4.06Å; L150-V190 HydrophobicContact CD1-CG2 3.8Å; L150-V190 HydrophobicContact CG-CG1 4.03Å; L150-V190 HydrophobicContact CG-CG2 4.21Å; L187-V190 HydrophobicContact CB-CB 4.31Å; L187-V190 HydrophobicContact CB-CG2 4.16Å; L187-V190 HydrophobicContact CD2-CG2 4.06Å; L187-V190 PolarHBondContact O-N 2.98Å; V190-I192 WeakPolarHBondContact CG1-O 3.38Å; V190-I193 HydrophobicContact CG1-CD1 4.06Å; V190-I193 HydrophobicContact CG1-CG1 3.62Å; V190-I214 HydrophobicContact CG1-CG2 4.26Å
191C97.9Very high97.1Very high23 Ų2340.1 Ų40.116%0.15522%0.215CC..EExtended strand (participates in β ladder)trans-100.9-31.3175.564.20000112.2C114 G147 L148 R215 L371C114-C191 PolarHBondContact SG-SG 3.34Å; G147-C191 PolarHBondContact O-SG 3.48Å; G147-C191 VanDerWaalsContact O-SG 3.37Å; L148-C191 PolarHBondContact O-N 3.01Å; L148-C191 PolarHBondContact O-SG 3.05Å; C191-R215 WeakPolarHBondContact O-CB 3.44Å; C191-R215 PolarHBondContact O-N 3.23Å; C191-L371 HydrophobicContact CB-CD2 4.31Å
192I98.8Very high97.2Very high2 Ų236.7 Ų36.71%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-133.4138.9-176.7-55.8158.5000110.2V77 C114 L148 H149 L150 V190 R215 F370 L371V77-I192 HydrophobicContact CB-CD1 3.81Å; V77-I192 HydrophobicContact CG1-CD1 4.43Å; C114-I192 HydrophobicContact CB-CD1 4.32Å; L148-I192 PolarHBondContact O-N 3.27Å; H149-I192 CarbonylContact C-O 3.19Å; H149-I192 WeakPolarHBondContact CA-O 3.01Å; H149-I192 HydrophobicContact CB-CB 4.03Å; H149-I192 HydrophobicContact CB-CD1 4.27Å; L150-I192 PolarHBondContact N-O 3.03Å; V190-I192 WeakPolarHBondContact CG1-O 3.38Å; I192-R215 CarbonylContact C-O 3.52Å; I192-R215 VanDerWaalsContact CA-O 3.26Å; I192-R215 WeakPolarHBondContact CA-O 3.36Å; I192-R215 HydrophobicContact CG1-CB 4.17Å; I192-F370 HydrophobicContact CD1-CE1 3.74Å; I192-F370 HydrophobicContact CG1-CE1 3.86Å; I192-F370 HydrophobicContact CG1-CZ 4.23Å; I192-F370 HydrophobicContact CG2-CZ 4.46Å; I192-L371 HydrophobicContact CD1-CD2 3.97Å; I192-L371 HydrophobicContact CG1-CD2 3.95Å
193I98.8Very high97.2Very high0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-126.5122.6163.7-63-178.8000108.6L150 Y183 V190 L195 L209 I214 R215 V216 S217L150-I193 HydrophobicContact CB-CG1 4.23Å; L150-I193 HydrophobicContact CD1-CD1 4.43Å; L150-I193 HydrophobicContact CD1-CG1 4.39Å; L150-I193 CarbonylContact O-C 3.47Å; L150-I193 WeakPolarHBondContact O-CA 3.32Å; Y183-I193 HydrophobicContact CE2-CD1 4Å; V190-I193 HydrophobicContact CG1-CD1 4.06Å; V190-I193 HydrophobicContact CG1-CG1 3.62Å; I193-L195 HydrophobicContact CG2-CD2 4.39Å; I193-L209 HydrophobicContact CB-CD1 4.33Å; I193-L209 HydrophobicContact CD1-CD1 3.98Å; I193-L209 HydrophobicContact CD1-CD2 3.7Å; I193-L209 HydrophobicContact CD1-CG 4.46Å; I193-L209 HydrophobicContact CG2-CD1 4.25Å; I193-I214 HydrophobicContact CB-CG2 4.32Å; I193-I214 HydrophobicContact CD1-CD1 4.39Å; I193-I214 HydrophobicContact CD1-CG2 4.11Å; I193-I214 HydrophobicContact CG1-CG2 3.83Å; I193-R215 PolarHBondContact N-O 2.91Å; I193-V216 WeakPolarHBondContact O-CA 3.42Å; I193-S217 PolarHBondContact O-N 3.38Å
194T98.9Very high97.3Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-88.5130.7168.5-65.10000110H149 L150 E151 G152 S217 T240H149-T194 PolarHBondContact NE2-OG1 2.83Å; L150-T194 PolarHBondContact O-N 3.44Å; E151-T194 HydrophobicContact CG-CG2 4.13Å; G152-T194 PolarHBondContact N-O 2.84Å; G152-T194 VanDerWaalsContact N-O 3.14Å; T194-S217 CarbonylContact C-O 3.33Å; T194-S217 VanDerWaalsContact CA-O 3.27Å; T194-S217 WeakPolarHBondContact CA-O 3.5Å; T194-T240 HydrophobicContact CG2-CG2 4.06Å; T194-T240 WeakPolarHBondContact CG2-OG1 3.25Å; T194-T240 PolarHBondContact OG1-OG1 2.75Å
195L98.8Very high97.5Very high0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-147.9162.7179.463.581000113.4F154 F172 I193 I206 L209 V216 S217 I218 G219F154-L195 HydrophobicContact CB-CB 4.23Å; F154-L195 CarbonylContact O-C 3.57Å; F154-L195 VanDerWaalsContact O-CA 3.26Å; F154-L195 WeakPolarHBondContact O-CA 3.09Å; F154-L195 WeakPolarHBondContact O-CB 3.48Å; F172-L195 HydrophobicContact CE1-CD2 4Å; F172-L195 HydrophobicContact CZ-CB 3.96Å; F172-L195 HydrophobicContact CZ-CD1 4.14Å; F172-L195 HydrophobicContact CZ-CD2 3.81Å; F172-L195 HydrophobicContact CZ-CG 4.19Å; I193-L195 HydrophobicContact CG2-CD2 4.39Å; L195-I206 HydrophobicContact CD1-CD1 4.11Å; L195-I206 HydrophobicContact CD1-CG1 3.87Å; L195-I206 HydrophobicContact CD2-CG1 4.34Å; L195-L209 HydrophobicContact CD2-CD1 3.9Å; L195-V216 HydrophobicContact CD1-CG1 4.28Å; L195-V216 HydrophobicContact CD2-CG1 3.65Å; L195-V216 HydrophobicContact CG-CG1 3.83Å; L195-S217 PolarHBondContact N-O 2.53Å; L195-I218 WeakPolarHBondContact O-CA 3.44Å; L195-G219 CarbonylContact C-O 3.58Å; L195-G219 PolarHBondContact O-N 3.3Å; L195-G219 VanDerWaalsContact O-N 3.14Å
196A98.6Very high97.7Very high0 Ų029.5 Ų29.50%017%0.166CC..  trans-92.6113.2171.500000110.6F154 N156 E198 L199 C221F154-A196 PolarHBondContact O-N 2.78Å; N156-A196 HydrophobicContact CB-CB 4.16Å; A196-E198 VanDerWaalsContact C-N 3.27Å; A196-E198 PolarHBondContact O-N 2.87Å; A196-L199 HydrophobicContact CB-CD1 4.09Å; A196-L199 HydrophobicContact CB-CG 3.92Å; A196-L199 PolarHBondContact O-N 3.42Å; A196-C221 HydrophobicContact CB-CB 3.69Å
197P98.2Very high97.9Very high3 Ų328.7 Ų28.72%0.01916%0.156CC..THydrogen-bonded Turntrans-70.6-20.9-172.228.3-38000113.7L199 M203 I206 I218 A223 I227 A231P197-L199 VanDerWaalsContact C-N 3.31Å; P197-M203 HydrophobicContact CB-CE 4.08Å; P197-I206 HydrophobicContact CB-CD1 3.88Å; P197-I218 HydrophobicContact CG-CG1 4.48Å; P197-I218 HydrophobicContact CG-CG2 3.78Å; P197-A223 HydrophobicContact CG-CB 3.87Å; P197-I227 HydrophobicContact CB-CG2 4.03Å; P197-I227 HydrophobicContact CG-CG2 3.78Å; P197-A231 HydrophobicContact CB-CB 3.72Å; P197-A231 HydrophobicContact CG-CB 4.27Å
198E97.6Very high97.9Very high50 Ų5030.5 Ų30.523%0.23416%0.163CC..THydrogen-bonded Turntrans-79.1-9.2179.375.5-79.2-171.900114.2N156 A196 C221 K222 I227N156-E198 WeakPolarHBondContact CB-OE1 3.23Å; N156-E198 PolarHBondContact ND2-OE1 3.29Å; A196-E198 VanDerWaalsContact C-N 3.27Å; A196-E198 PolarHBondContact O-N 2.87Å; E198-C221 WeakPolarHBondContact OE1-CA 3.28Å; E198-C221 WeakPolarHBondContact OE2-CB 3.29Å; E198-K222 PolarHBondContact OE1-N 2.94Å; E198-I227 HydrophobicContact CB-CD1 3.93Å; E198-I227 HydrophobicContact CB-CG2 4.2Å
199L97.6Very high98Very high26 Ų2626.7 Ų26.714%0.13614%0.137CC..SBendtrans-65.5153.9174.9-61.3-179.4000110.8F154 F172 A196 P197 N201 G202F154-L199 VanDerWaalsContact C-CD1 3.42Å; F154-L199 HydrophobicContact CB-CD1 4.38Å; F154-L199 WeakPolarHBondContact O-CD1 3.29Å; F172-L199 HydrophobicContact CD2-CB 4.35Å; F172-L199 HydrophobicContact CE2-CB 3.99Å; F172-L199 HydrophobicContact CE2-CD1 4.38Å; A196-L199 HydrophobicContact CB-CD1 4.09Å; A196-L199 HydrophobicContact CB-CG 3.92Å; A196-L199 PolarHBondContact O-N 3.42Å; P197-L199 VanDerWaalsContact C-N 3.31Å; L199-N201 PolarHBondContact O-N 3.39Å; L199-G202 WeakPolarHBondContact O-CA 3.35Å; L199-G202 PolarHBondContact O-N 3.35Å
200T96.9Very high98.1Very high99 Ų9926.5 Ų26.561%0.60714%0.14SC*.BIsolated β-bridgetrans-53.3125178.7-550000110.9F172 G202F172-T200 WeakPolarHBondContact CD2-O 3.45Å; F172-T200 PolarHBondContact N-O 3.24Å; T200-G202 VanDerWaalsContact C-N 3.27Å; T200-G202 PolarHBondContact O-N 3.46Å
201N97.3Very high98Very high55 Ų5534.7 Ų34.729%0.29417%0.174SC..THydrogen-bonded Turntrans65.616.7-175.1-55.2-28.4000115.5F172 G173 L199 M203 D204 A205F172-N201 HydrophobicContact CB-CB 4.21Å; G173-N201 VanDerWaalsContact C-ND2 3.31Å; G173-N201 PolarHBondContact O-ND2 3.19Å; L199-N201 PolarHBondContact O-N 3.39Å; N201-M203 PolarHBondContact O-N 3.35Å; N201-D204 PolarHBondContact O-N 2.96Å; N201-A205 PolarHBondContact O-N 3.49Å
202G98.1Very high97.9Very high1 Ų139 Ų391%0.0119%0.191CC..Hα-helixtrans-59.9-39.5179.300000114.3F172 L199 T200 D204 A205 I206F172-G202 VanDerWaalsContact CD2-CA 3.5Å; L199-G202 WeakPolarHBondContact O-CA 3.35Å; L199-G202 PolarHBondContact O-N 3.35Å; T200-G202 VanDerWaalsContact C-N 3.27Å; T200-G202 PolarHBondContact O-N 3.46Å; G202-D204 VanDerWaalsContact C-N 3.34Å; G202-D204 PolarHBondContact O-N 3.38Å; G202-A205 PolarHBondContact O-N 2.85Å; G202-I206 WeakPolarHBondContact O-CD1 3.25Å; G202-I206 VanDerWaalsContact O-CG1 3.24Å; G202-I206 WeakPolarHBondContact O-CG1 3.4Å; G202-I206 PolarHBondContact O-N 3.17Å
203M98.1Very high97.8Very high37 Ų3741.6 Ų41.618%0.18222%0.218CC..Hα-helixtrans-65.4-36.6177.1-62.3-60.817000112.9P197 N201 I206 R207 I227 R230 A231P197-M203 HydrophobicContact CB-CE 4.08Å; N201-M203 PolarHBondContact O-N 3.35Å; M203-I206 HydrophobicContact SD-CD1 4.13Å; M203-R207 PolarHBondContact O-N 3Å; M203-I227 HydrophobicContact CE-CG2 3.72Å; M203-I227 WeakPolarHBondContact CE-O 3.36Å; M203-R230 HydrophobicContact CE-CB 3.93Å; M203-R230 HydrophobicContact CE-CG 3.87Å; M203-R230 HydrophobicContact CG-CG 4.42Å; M203-R230 HydrophobicContact SD-CB 4.3Å; M203-R230 HydrophobicContact SD-CG 3.8Å; M203-A231 HydrophobicContact CE-CB 4.26Å; M203-A231 HydrophobicContact SD-CB 4.21Å
204D98Very high97.8Very high75 Ų7542.1 Ų42.140%0.40122%0.22SC..Hα-helixtrans-68.9-40.8174.2-73.1-54.4000111.4N201 G202 I206 R207 H208N201-D204 PolarHBondContact O-N 2.96Å; G202-D204 VanDerWaalsContact C-N 3.34Å; G202-D204 PolarHBondContact O-N 3.38Å; D204-I206 PolarHBondContact O-N 3.38Å; D204-R207 PolarHBondContact O-N 3.36Å; D204-R207 IonicContact OD1-CZ 2.99Å; D204-R207 IonicContact OD1-NE 3.55Å; D204-R207 IonicContact OD1-NH2 3.35Å; D204-R207 PolarHBondContact OD1-NH2 3.32Å; D204-R207 IonicContact OD2-NH2 2.69Å; D204-H208 VanDerWaalsContact O-CB 3.3Å; D204-H208 WeakPolarHBondContact O-CB 3.32Å; D204-H208 PolarHBondContact O-N 2.98Å
205A98.3Very high97.8Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-61.3-43.5175.600000112F172 C176 L179 N201 G202 H208 L209F172-A205 HydrophobicContact CB-CB 4.14Å; F172-A205 HydrophobicContact CD1-CB 3.24Å; F172-A205 HydrophobicContact CD2-CB 4.02Å; F172-A205 HydrophobicContact CE1-CB 3.45Å; F172-A205 VanDerWaalsContact CE1-CB 3.45Å; F172-A205 HydrophobicContact CE2-CB 4.22Å; F172-A205 HydrophobicContact CG-CB 3.53Å; F172-A205 HydrophobicContact CZ-CB 3.93Å; C176-A205 WeakPolarHBondContact SG-CA 3.37Å; C176-A205 PolarHBondContact SG-N 3.4Å; L179-A205 HydrophobicContact CD1-CB 4.34Å; N201-A205 PolarHBondContact O-N 3.49Å; G202-A205 PolarHBondContact O-N 2.85Å; A205-H208 WeakPolarHBondContact O-CB 3.45Å; A205-H208 PolarHBondContact O-N 3.37Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.27Å; A205-L209 WeakPolarHBondContact O-CG 3.25Å; A205-L209 PolarHBondContact O-N 3.49Å
206I98.5Very high97.8Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-58.1-52174.5-65.4159.8000110.2L195 P197 G202 M203 D204 H208 L209 S210 V216 A231 C234 A236L195-I206 HydrophobicContact CD1-CD1 4.11Å; L195-I206 HydrophobicContact CD1-CG1 3.87Å; L195-I206 HydrophobicContact CD2-CG1 4.34Å; P197-I206 HydrophobicContact CB-CD1 3.88Å; G202-I206 WeakPolarHBondContact O-CD1 3.25Å; G202-I206 VanDerWaalsContact O-CG1 3.24Å; G202-I206 WeakPolarHBondContact O-CG1 3.4Å; G202-I206 PolarHBondContact O-N 3.17Å; M203-I206 HydrophobicContact SD-CD1 4.13Å; D204-I206 PolarHBondContact O-N 3.38Å; I206-H208 VanDerWaalsContact C-N 3.27Å; I206-H208 PolarHBondContact O-N 3.15Å; I206-L209 PolarHBondContact O-N 2.95Å; I206-S210 WeakPolarHBondContact O-CB 3.4Å; I206-S210 PolarHBondContact O-N 2.75Å; I206-S210 PolarHBondContact O-OG 2.82Å; I206-S210 VanDerWaalsContact O-OG 3.06Å; I206-V216 HydrophobicContact CG1-CG1 3.91Å; I206-V216 HydrophobicContact CG2-CB 4.41Å; I206-V216 HydrophobicContact CG2-CG1 4.33Å; I206-A231 HydrophobicContact CD1-CB 3.63Å; I206-C234 HydrophobicContact CB-CB 4.13Å; I206-C234 HydrophobicContact CG2-CB 3.82Å; I206-A236 HydrophobicContact CG2-CB 3.97Å
207R98.1Very high97.8Very high83 Ų8346 Ų4631%0.31324%0.236SC..Hα-helixtrans-57-42.1177.4-76.8-173-72.6-88.56.8112.1M203 D204 K211 C234M203-R207 PolarHBondContact O-N 3Å; D204-R207 PolarHBondContact O-N 3.36Å; D204-R207 IonicContact OD1-CZ 2.99Å; D204-R207 IonicContact OD1-NE 3.55Å; D204-R207 IonicContact OD1-NH2 3.35Å; D204-R207 PolarHBondContact OD1-NH2 3.32Å; D204-R207 IonicContact OD2-NH2 2.69Å; R207-K211 WeakPolarHBondContact O-CB 3.29Å; R207-K211 VanDerWaalsContact O-CG 3.25Å; R207-K211 WeakPolarHBondContact O-CG 3.09Å; R207-K211 PolarHBondContact O-N 3.24Å; R207-K211 VanDerWaalsContact O-N 3.15Å; R207-C234 WeakPolarHBondContact CA-O 3.29Å; R207-C234 HydrophobicContact CG-CB 3.89Å; R207-C234 WeakPolarHBondContact CG-O 3.44Å; R207-C234 PolarHBondContact NH1-SG 3.42Å
208H97.4Very high97.8Very high58 Ų5846 Ų4627%0.26924%0.235SC..Hα-helixtrans-64.4-49-179.2-178.481.7000112.1D204 A205 I206 K212D204-H208 VanDerWaalsContact O-CB 3.3Å; D204-H208 WeakPolarHBondContact O-CB 3.32Å; D204-H208 PolarHBondContact O-N 2.98Å; A205-H208 WeakPolarHBondContact O-CB 3.45Å; A205-H208 PolarHBondContact O-N 3.37Å; I206-H208 VanDerWaalsContact C-N 3.27Å; I206-H208 PolarHBondContact O-N 3.15Å; H208-K212 WeakPolarHBondContact NE2-CE 3.49Å; H208-K212 PolarHBondContact O-N 3.38Å
209L97.9Very high97.8Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-68.2-44.5-179-69.8172.2000111.8L179 L187 I193 L195 A205 I206 K211 K212 G213 I214 V216L179-L209 HydrophobicContact CD1-CD1 4.27Å; L179-L209 HydrophobicContact CD1-CD2 3.97Å; L179-L209 HydrophobicContact CD1-CG 4.02Å; L179-L209 HydrophobicContact CD2-CD1 4.37Å; L187-L209 HydrophobicContact CD1-CD2 4.31Å; I193-L209 HydrophobicContact CB-CD1 4.33Å; I193-L209 HydrophobicContact CD1-CD1 3.98Å; I193-L209 HydrophobicContact CD1-CD2 3.7Å; I193-L209 HydrophobicContact CD1-CG 4.46Å; I193-L209 HydrophobicContact CG2-CD1 4.25Å; L195-L209 HydrophobicContact CD2-CD1 3.9Å; A205-L209 WeakPolarHBondContact O-CB 3.45Å; A205-L209 VanDerWaalsContact O-CG 3.27Å; A205-L209 WeakPolarHBondContact O-CG 3.25Å; A205-L209 PolarHBondContact O-N 3.49Å; I206-L209 PolarHBondContact O-N 2.95Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 3.16Å; L209-K212 WeakPolarHBondContact O-CA 3.21Å; L209-K212 WeakPolarHBondContact O-CB 3.37Å; L209-K212 PolarHBondContact O-N 2.98Å; L209-G213 PolarHBondContact O-N 3.11Å; L209-I214 HydrophobicContact CB-CB 4.47Å; L209-I214 HydrophobicContact CD2-CD1 3.94Å; L209-I214 PolarHBondContact O-N 3.21Å; L209-V216 HydrophobicContact CB-CG2 3.53Å; L209-V216 HydrophobicContact CD1-CG2 4.13Å; L209-V216 HydrophobicContact CG-CG2 4.5Å
210S97.3Very high97.9Very high35 Ų3542.7 Ų42.725%0.24522%0.219CC..Hα-helixtrans-63.2-36.5178.1-59.70000112.1I206 K212 G213 G235I206-S210 WeakPolarHBondContact O-CB 3.4Å; I206-S210 PolarHBondContact O-N 2.75Å; I206-S210 PolarHBondContact O-OG 2.82Å; I206-S210 VanDerWaalsContact O-OG 3.06Å; S210-K212 PolarHBondContact O-N 2.8Å; S210-G213 PolarHBondContact O-N 3.1Å; S210-G235 VanDerWaalsContact OG-C 3.26Å; S210-G235 PolarHBondContact OG-O 3.08Å
211K97Very high97.9Very high181 Ų18138 Ų3879%0.78719%0.19SC*.Hα-helixtrans-63.4-26.2172.6-79.6178.1-178.9-177.80113.5R207 L209 G213R207-K211 WeakPolarHBondContact O-CB 3.29Å; R207-K211 VanDerWaalsContact O-CG 3.25Å; R207-K211 WeakPolarHBondContact O-CG 3.09Å; R207-K211 PolarHBondContact O-N 3.24Å; R207-K211 VanDerWaalsContact O-N 3.15Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 3.16Å; K211-G213 VanDerWaalsContact C-N 3.25Å
212K96.1Very high97.9Very high115 Ų11540.5 Ų40.550%0.520%0.199SC..THydrogen-bonded Turntrans-81.9-0.9173.5-73.8170.7163.8-90.90113.1H208 L209 S210 I214H208-K212 WeakPolarHBondContact NE2-CE 3.49Å; H208-K212 PolarHBondContact O-N 3.38Å; L209-K212 WeakPolarHBondContact O-CA 3.21Å; L209-K212 WeakPolarHBondContact O-CB 3.37Å; L209-K212 PolarHBondContact O-N 2.98Å; S210-K212 PolarHBondContact O-N 2.8Å; K212-I214 VanDerWaalsContact C-N 3.31Å; K212-I214 HydrophobicContact CB-CD1 4.39Å; K212-I214 HydrophobicContact CB-CG1 4.45Å
213G96.5Very high97.9Very high56 Ų5640.5 Ų40.558%0.57720%0.199SC*.THydrogen-bonded Turntrans82.25.1-177.800000114.5L209 S210 K211L209-G213 PolarHBondContact O-N 3.11Å; S210-G213 PolarHBondContact O-N 3.1Å; K211-G213 VanDerWaalsContact C-N 3.25Å
214I98.2Very high97.8Very high10 Ų1039.7 Ų39.75%0.05120%0.197CC..PPolyproline II helixtrans-77.3134.3176.4-63.1170.7000108.8L187 V190 I193 L209 K212 V216L187-I214 HydrophobicContact CB-CD1 3.95Å; L187-I214 HydrophobicContact CD1-CD1 3.89Å; V190-I214 HydrophobicContact CG1-CG2 4.26Å; I193-I214 HydrophobicContact CB-CG2 4.32Å; I193-I214 HydrophobicContact CD1-CD1 4.39Å; I193-I214 HydrophobicContact CD1-CG2 4.11Å; I193-I214 HydrophobicContact CG1-CG2 3.83Å; L209-I214 HydrophobicContact CB-CB 4.47Å; L209-I214 HydrophobicContact CD2-CD1 3.94Å; L209-I214 PolarHBondContact O-N 3.21Å; K212-I214 VanDerWaalsContact C-N 3.31Å; K212-I214 HydrophobicContact CB-CD1 4.39Å; K212-I214 HydrophobicContact CB-CG1 4.45Å; I214-V216 PolarHBondContact O-N 3Å
215R98.6Very high97.8Very high77 Ų7737.8 Ų37.829%0.29119%0.187SC..EExtended strand (participates in β ladder)trans-75.1118.5173.6-56.6-56.5176.4-175.40.7109.4C191 I192 I193 F370 L371C191-R215 WeakPolarHBondContact O-CB 3.44Å; C191-R215 PolarHBondContact O-N 3.23Å; I192-R215 CarbonylContact C-O 3.52Å; I192-R215 VanDerWaalsContact CA-O 3.26Å; I192-R215 WeakPolarHBondContact CA-O 3.36Å; I192-R215 HydrophobicContact CG1-CB 4.17Å; I193-R215 PolarHBondContact N-O 2.91Å; R215-F370 HydrophobicContact CB-CE1 4.3Å; R215-F370 HydrophobicContact CB-CE2 3.9Å; R215-F370 HydrophobicContact CB-CZ 3.64Å; R215-F370 VanDerWaalsContact CD-O 3.29Å; R215-F370 WeakPolarHBondContact CD-O 3.24Å; R215-F370 HydrophobicContact CG-CE2 4.33Å; R215-F370 HydrophobicContact CG-CZ 4.24Å; R215-F370 PolarHBondContact NE-O 3.02Å; R215-L371 HydrophobicContact CG-CD2 4.34Å; R215-L371 PolarHBondContact NE-O 3.33Å; R215-L371 PolarHBondContact NH2-O 2.8Å
216V98.7Very high97.7Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-93.8122.8175.7-175.30000109.1I193 L195 I206 L209 I214 A236 T237 G238I193-V216 WeakPolarHBondContact O-CA 3.42Å; L195-V216 HydrophobicContact CD1-CG1 4.28Å; L195-V216 HydrophobicContact CD2-CG1 3.65Å; L195-V216 HydrophobicContact CG-CG1 3.83Å; I206-V216 HydrophobicContact CG1-CG1 3.91Å; I206-V216 HydrophobicContact CG2-CB 4.41Å; I206-V216 HydrophobicContact CG2-CG1 4.33Å; L209-V216 HydrophobicContact CB-CG2 3.53Å; L209-V216 HydrophobicContact CD1-CG2 4.13Å; L209-V216 HydrophobicContact CG-CG2 4.5Å; I214-V216 PolarHBondContact O-N 3Å; V216-A236 HydrophobicContact CB-CB 4.39Å; V216-A236 HydrophobicContact CG1-CB 4.38Å; V216-T237 PolarHBondContact O-N 3Å; V216-G238 PolarHBondContact O-N 3.28Å; V216-G238 VanDerWaalsContact O-N 3.1Å
217S98.7Very high97.7Very high6 Ų644.3 Ų44.34%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-108.6137.6176.2-163.40000110.5I193 T194 L195 G238 I239 T240I193-S217 PolarHBondContact O-N 3.38Å; T194-S217 CarbonylContact C-O 3.33Å; T194-S217 VanDerWaalsContact CA-O 3.27Å; T194-S217 WeakPolarHBondContact CA-O 3.5Å; L195-S217 PolarHBondContact N-O 2.53Å; S217-G238 CarbonylContact C-O 3.6Å; S217-G238 WeakPolarHBondContact CA-O 3.24Å; S217-G238 VanDerWaalsContact OG-C 3.27Å; S217-I239 VanDerWaalsContact OG-C 3.24Å; S217-I239 PolarHBondContact OG-N 2.99Å; S217-T240 VanDerWaalsContact CB-OG1 3.23Å; S217-T240 WeakPolarHBondContact CB-OG1 3.48Å; S217-T240 PolarHBondContact OG-N 3.45Å; S217-T240 VanDerWaalsContact OG-N 3.09Å; S217-T240 PolarHBondContact OG-OG1 3.22Å
218I98.5Very high97.7Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-92.6122.4178.5-59.1166.2000108.5L195 P197 A231 A236 G238 I239 T240 L256L195-I218 WeakPolarHBondContact O-CA 3.44Å; P197-I218 HydrophobicContact CG-CG1 4.48Å; P197-I218 HydrophobicContact CG-CG2 3.78Å; I218-A231 HydrophobicContact CD1-CB 3.48Å; I218-A231 VanDerWaalsContact CD1-CB 3.48Å; I218-A231 HydrophobicContact CG1-CB 4.19Å; I218-A236 HydrophobicContact CD1-CB 3.97Å; I218-A236 HydrophobicContact CG1-CB 4.01Å; I218-G238 PolarHBondContact N-O 3.14Å; I218-I239 WeakPolarHBondContact O-CA 3.31Å; I218-T240 PolarHBondContact O-N 3.25Å; I218-L256 HydrophobicContact CB-CD1 4.19Å; I218-L256 HydrophobicContact CB-CD2 4.23Å; I218-L256 HydrophobicContact CD1-CD1 4.18Å; I218-L256 HydrophobicContact CG2-CD1 3.69Å; I218-L256 HydrophobicContact CG2-CD2 3.63Å; I218-L256 HydrophobicContact CG2-CG 4.33Å
219G98.4Very high97.6Very high0 Ų039 Ų390%021%0.207CC..  trans-163168-17900000112L195 C221L195-G219 CarbonylContact C-O 3.58Å; L195-G219 PolarHBondContact O-N 3.3Å; L195-G219 VanDerWaalsContact O-N 3.14Å; G219-C221 VanDerWaalsContact C-N 3.27Å; G219-C221 WeakPolarHBondContact O-CB 3.49Å; G219-C221 PolarHBondContact O-N 3.47Å
220H98.4Very high97.5Very high7 Ų745 Ų453%0.03223%0.23CC..SBendtrans50.647.1-180-70-97.4000112.7E151 I155 N156 R159 A160 H163 H241 A245E151-H220 IonicContact OE1-CD2 2.95Å; E151-H220 PolarHBondContact OE1-CD2 3.29Å; E151-H220 IonicContact OE1-NE2 3.49Å; E151-H220 PolarHBondContact OE1-NE2 3.01Å; I155-H220 HydrophobicContact CB-CB 3.54Å; I155-H220 HydrophobicContact CD1-CB 4Å; I155-H220 HydrophobicContact CG1-CB 4.36Å; I155-H220 HydrophobicContact CG2-CB 3.55Å; N156-H220 VanDerWaalsContact CB-O 3.23Å; N156-H220 WeakPolarHBondContact CB-O 3.38Å; N156-H220 PolarHBondContact N-O 3.08Å; R159-H220 WeakPolarHBondContact O-CB 3.18Å; R159-H220 PolarHBondContact O-ND1 2.86Å; A160-H220 PolarHBondContact O-CE1 3.24Å; A160-H220 PolarHBondContact O-ND1 2.91Å; H163-H220 AromaticContact CD2-CE1 3.4Å; H163-H220 PolarHBondContact CD2-CE1 3.17Å; H163-H220 VanDerWaalsContact CD2-CE1 3.4Å; H163-H220 AromaticContact CD2-ND1 3.89Å; H163-H220 AromaticContact NE2-CE1 3.47Å; H163-H220 PolarHBondContact NE2-CE1 3.06Å; H163-H220 AromaticContact NE2-NE2 3.61Å; H220-H241 AromaticContact CD2-CE1 3.59Å; H220-H241 AromaticContact CD2-NE2 3.56Å; H220-H241 AromaticContact NE2-CE1 3.38Å; H220-H241 PolarHBondContact NE2-CE1 3.06Å; H220-H241 AromaticContact NE2-NE2 3Å; H220-H241 PolarHBondContact NE2-NE2 2.95Å; H220-A245 CarbonylContact C-O 3.53Å; H220-A245 WeakPolarHBondContact CA-O 3Å; H220-A245 PolarHBondContact N-O 2.96Å; H220-A245 WeakPolarHBondContact ND1-CB 3.46Å
221C98Very high97.6Very high0 Ų043.3 Ų43.30%022%0.218CC..BIsolated β-bridgetrans-136.2157.4-162.880.60000113A196 E198 G219 A245 M246 S247A196-C221 HydrophobicContact CB-CB 3.69Å; E198-C221 WeakPolarHBondContact OE1-CA 3.28Å; E198-C221 WeakPolarHBondContact OE2-CB 3.29Å; G219-C221 VanDerWaalsContact C-N 3.27Å; G219-C221 WeakPolarHBondContact O-CB 3.49Å; G219-C221 PolarHBondContact O-N 3.47Å; C221-A245 PolarHBondContact N-O 3.37Å; C221-A245 VanDerWaalsContact N-O 3.14Å; C221-M246 VanDerWaalsContact O-CA 3.27Å; C221-M246 WeakPolarHBondContact O-CA 3.45Å; C221-S247 PolarHBondContact O-N 3.25Å
222K97.3Very high97.5Very high108 Ų10835.7 Ų35.747%0.4719%0.186SC..  trans-101.513.4172.7-63.5-179.479176.50112.9N156 S158 R159 E198 S224 S247N156-K222 WeakPolarHBondContact ND2-CD 3.47Å; S158-K222 VanDerWaalsContact OG-CD 3.3Å; S158-K222 WeakPolarHBondContact OG-CD 3.24Å; R159-K222 HydrophobicContact CG-CG 3.86Å; E198-K222 PolarHBondContact OE1-N 2.94Å; K222-S224 PolarHBondContact O-N 3.48Å; K222-S247 VanDerWaalsContact CA-OG 3.31Å; K222-S247 WeakPolarHBondContact CA-OG 3.43Å; K222-S247 PolarHBondContact O-OG 2.93Å
223A97.3Very high97.5Very high1 Ų136 Ų361%0.00819%0.189CC..  trans-51.5127-173.700000112.4P197 I227 C255P197-A223 HydrophobicContact CG-CB 3.87Å; A223-I227 HydrophobicContact CB-CB 4.04Å; A223-I227 HydrophobicContact CB-CG2 3.71Å; A223-C255 WeakPolarHBondContact O-CB 3.3Å
224S97.6Very high97.5Very high21 Ų2133.9 Ų33.915%0.14717%0.165CC..  trans-64.7169162.160.30000110.2K222 S226 I227 G228 D253K222-S224 PolarHBondContact O-N 3.48Å; S224-S226 PolarHBondContact O-N 2.79Å; S224-S226 PolarHBondContact OG-OG 3.29Å; S224-I227 PolarHBondContact O-N 2.93Å; S224-I227 WeakPolarHBondContact OG-CG1 3.34Å; S224-I227 PolarHBondContact OG-N 2.85Å; S224-G228 PolarHBondContact O-N 3.22Å; S224-D253 WeakPolarHBondContact CA-OD2 3.27Å; S224-D253 WeakPolarHBondContact CB-OD2 3.4Å
225L97.1Very high97.5Very high35 Ų3534.6 Ų34.618%0.18318%0.175CC..Hα-helixtrans-55.7-43.5171.8176.760000111.1I227 G228 L229 D253 V259L225-I227 PolarHBondContact O-N 2.89Å; L225-G228 PolarHBondContact O-N 2.94Å; L225-L229 HydrophobicContact CD1-CD1 3.98Å; L225-L229 HydrophobicContact CD1-CD2 4.2Å; L225-L229 HydrophobicContact CD1-CG 3.87Å; L225-L229 HydrophobicContact CG-CD1 4Å; L225-L229 HydrophobicContact CG-CG 4.28Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.33Å; L225-D253 WeakPolarHBondContact CB-OD1 3.38Å; L225-D253 PolarHBondContact N-OD1 3.24Å; L225-V259 HydrophobicContact CD1-CG2 4.02Å
226S97Very high97.5Very high85 Ų8531 Ų3159%0.59416%0.162SC*.Hα-helixtrans-61.1-41.6180580000112.8S224 R230S224-S226 PolarHBondContact O-N 2.79Å; S224-S226 PolarHBondContact OG-OG 3.29Å; S226-R230 VanDerWaalsContact O-CB 3.29Å; S226-R230 WeakPolarHBondContact O-CB 3.21Å; S226-R230 PolarHBondContact O-N 3.22Å
227I97.7Very high97.4Very high51 Ų5132.5 Ų32.526%0.26217%0.171SC..Hα-helixtrans-67.2-43.9175.6-67.8172.5000110.3P197 E198 M203 A223 S224 L225 R230 A231P197-I227 HydrophobicContact CB-CG2 4.03Å; P197-I227 HydrophobicContact CG-CG2 3.78Å; E198-I227 HydrophobicContact CB-CD1 3.93Å; E198-I227 HydrophobicContact CB-CG2 4.2Å; M203-I227 HydrophobicContact CE-CG2 3.72Å; M203-I227 WeakPolarHBondContact CE-O 3.36Å; A223-I227 HydrophobicContact CB-CB 4.04Å; A223-I227 HydrophobicContact CB-CG2 3.71Å; S224-I227 PolarHBondContact O-N 2.93Å; S224-I227 WeakPolarHBondContact OG-CG1 3.34Å; S224-I227 PolarHBondContact OG-N 2.85Å; L225-I227 PolarHBondContact O-N 2.89Å; I227-R230 PolarHBondContact O-N 2.86Å; I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 3.07Å
228G97.2Very high97.4Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-60-46.5178.100000112.9S224 L225 R230 A231 I232S224-G228 PolarHBondContact O-N 3.22Å; L225-G228 PolarHBondContact O-N 2.94Å; G228-R230 VanDerWaalsContact C-N 3.34Å; G228-R230 PolarHBondContact O-N 3.32Å; G228-A231 WeakPolarHBondContact O-CB 3.26Å; G228-A231 PolarHBondContact O-N 3.3Å; G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.81Å; G228-I232 VanDerWaalsContact O-N 3.14Å
229L95.9Very high97.4Very high31 Ų3132.3 Ų32.316%0.16217%0.17CC..Hα-helixtrans-64.3-39.8175.8-63.6178.6000111.7L225 A231 I232 E233 V259 C262L225-L229 HydrophobicContact CD1-CD1 3.98Å; L225-L229 HydrophobicContact CD1-CD2 4.2Å; L225-L229 HydrophobicContact CD1-CG 3.87Å; L225-L229 HydrophobicContact CG-CD1 4Å; L225-L229 HydrophobicContact CG-CG 4.28Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.33Å; L229-A231 VanDerWaalsContact C-N 3.33Å; L229-A231 PolarHBondContact O-N 2.87Å; L229-I232 WeakPolarHBondContact O-CB 3.32Å; L229-I232 PolarHBondContact O-N 3.02Å; L229-E233 WeakPolarHBondContact O-CG 3.37Å; L229-E233 PolarHBondContact O-N 3.09Å; L229-V259 HydrophobicContact CD2-CG2 4.16Å; L229-C262 HydrophobicContact CD2-CB 3.81Å
230R97Very high97.4Very high124 Ų12432.4 Ų32.447%0.46817%0.171SC..Hα-helixtrans-63.6-39.4175.8-175.156.5174.9173.7-0.1112.1M203 S226 I227 G228 I232 E233 C234M203-R230 HydrophobicContact CE-CB 3.93Å; M203-R230 HydrophobicContact CE-CG 3.87Å; M203-R230 HydrophobicContact CG-CG 4.42Å; M203-R230 HydrophobicContact SD-CB 4.3Å; M203-R230 HydrophobicContact SD-CG 3.8Å; S226-R230 VanDerWaalsContact O-CB 3.29Å; S226-R230 WeakPolarHBondContact O-CB 3.21Å; S226-R230 PolarHBondContact O-N 3.22Å; I227-R230 PolarHBondContact O-N 2.86Å; G228-R230 VanDerWaalsContact C-N 3.34Å; G228-R230 PolarHBondContact O-N 3.32Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 3.18Å; R230-E233 VanDerWaalsContact CD-OE2 3.25Å; R230-E233 WeakPolarHBondContact CD-OE2 3.4Å; R230-E233 IonicContact CZ-OE2 3.92Å; R230-E233 IonicContact NE-OE2 2.73Å; R230-E233 IonicContact NH1-OE2 3.59Å; R230-E233 PolarHBondContact NH1-OE2 2.92Å; R230-E233 WeakPolarHBondContact O-CB 3.39Å; R230-E233 PolarHBondContact O-N 2.92Å; R230-C234 PolarHBondContact O-N 3.02Å; R230-C234 PolarHBondContact O-SG 2.95Å
231A97.9Very high97.4Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-61.2-40175.100000111.6P197 M203 I206 I218 I227 G228 L229 C234 G235 A236P197-A231 HydrophobicContact CB-CB 3.72Å; P197-A231 HydrophobicContact CG-CB 4.27Å; M203-A231 HydrophobicContact CE-CB 4.26Å; M203-A231 HydrophobicContact SD-CB 4.21Å; I206-A231 HydrophobicContact CD1-CB 3.63Å; I218-A231 HydrophobicContact CD1-CB 3.48Å; I218-A231 VanDerWaalsContact CD1-CB 3.48Å; I218-A231 HydrophobicContact CG1-CB 4.19Å; I227-A231 WeakPolarHBondContact O-CB 3.3Å; I227-A231 PolarHBondContact O-N 3.07Å; G228-A231 WeakPolarHBondContact O-CB 3.26Å; G228-A231 PolarHBondContact O-N 3.3Å; L229-A231 VanDerWaalsContact C-N 3.33Å; L229-A231 PolarHBondContact O-N 2.87Å; A231-C234 CarbonylContact O-C 3.6Å; A231-C234 WeakPolarHBondContact O-CB 3.36Å; A231-C234 PolarHBondContact O-N 3.26Å; A231-C234 VanDerWaalsContact O-N 3.16Å; A231-G235 PolarHBondContact O-N 3.23Å; A231-A236 HydrophobicContact CB-CB 4.3Å; A231-A236 VanDerWaalsContact O-CB 3.32Å; A231-A236 WeakPolarHBondContact O-CB 3.38Å; A231-A236 PolarHBondContact O-N 2.88Å
232I96.6Very high97.4Very high22 Ų2232.3 Ų32.311%0.11317%0.17CC..Hα-helixtrans-64.9-44.1174.8-68.1158.8000111.6G228 L229 R230 C234 G235 V259 V268G228-I232 WeakPolarHBondContact O-CG1 3.42Å; G228-I232 PolarHBondContact O-N 2.81Å; G228-I232 VanDerWaalsContact O-N 3.14Å; L229-I232 WeakPolarHBondContact O-CB 3.32Å; L229-I232 PolarHBondContact O-N 3.02Å; R230-I232 VanDerWaalsContact C-N 3.3Å; R230-I232 PolarHBondContact O-N 3.18Å; I232-C234 PolarHBondContact O-N 3.46Å; I232-G235 PolarHBondContact O-N 2.96Å; I232-V259 HydrophobicContact CD1-CB 4.45Å; I232-V259 HydrophobicContact CD1-CG1 3.3Å; I232-V259 HydrophobicContact CD1-CG2 4.29Å; I232-V268 HydrophobicContact CB-CG2 4.46Å; I232-V268 HydrophobicContact CD1-CG1 4.35Å; I232-V268 HydrophobicContact CD1-CG2 3.62Å; I232-V268 HydrophobicContact CG1-CG2 3.83Å; I232-V268 HydrophobicContact CG2-CG2 3.75Å
233E95.5Very high97.4Very high121 Ų12130.2 Ų30.257%0.56516%0.161SC*.Hα-helixtrans-58.8-31.4173.1-69.4169.3-172.300112.4L229 R230 G235L229-E233 WeakPolarHBondContact O-CG 3.37Å; L229-E233 PolarHBondContact O-N 3.09Å; R230-E233 VanDerWaalsContact CD-OE2 3.25Å; R230-E233 WeakPolarHBondContact CD-OE2 3.4Å; R230-E233 IonicContact CZ-OE2 3.92Å; R230-E233 IonicContact NE-OE2 2.73Å; R230-E233 IonicContact NH1-OE2 3.59Å; R230-E233 PolarHBondContact NH1-OE2 2.92Å; R230-E233 WeakPolarHBondContact O-CB 3.39Å; R230-E233 PolarHBondContact O-N 2.92Å; E233-G235 VanDerWaalsContact C-N 3.27Å; E233-G235 PolarHBondContact O-N 3.01Å
234C97.1Very high97.4Very high11 Ų1131.5 Ų31.57%0.07417%0.168CC..THydrogen-bonded Turntrans-77.8-10.5176.3-65.20000113.4I206 R207 R230 A231 I232I206-C234 HydrophobicContact CB-CB 4.13Å; I206-C234 HydrophobicContact CG2-CB 3.82Å; R207-C234 WeakPolarHBondContact CA-O 3.29Å; R207-C234 HydrophobicContact CG-CB 3.89Å; R207-C234 WeakPolarHBondContact CG-O 3.44Å; R207-C234 PolarHBondContact NH1-SG 3.42Å; R230-C234 PolarHBondContact O-N 3.02Å; R230-C234 PolarHBondContact O-SG 2.95Å; A231-C234 CarbonylContact O-C 3.6Å; A231-C234 WeakPolarHBondContact O-CB 3.36Å; A231-C234 PolarHBondContact O-N 3.26Å; A231-C234 VanDerWaalsContact O-N 3.16Å; I232-C234 PolarHBondContact O-N 3.46Å
235G97.1Very high97.4Very high25 Ų2531.9 Ų31.926%0.25817%0.172SC..THydrogen-bonded Turntrans1167.8175.500000115.5S210 A231 I232 E233S210-G235 VanDerWaalsContact OG-C 3.26Å; S210-G235 PolarHBondContact OG-O 3.08Å; A231-G235 PolarHBondContact O-N 3.23Å; I232-G235 PolarHBondContact O-N 2.96Å; E233-G235 VanDerWaalsContact C-N 3.27Å; E233-G235 PolarHBondContact O-N 3.01Å
236A98Very high97.4Very high2 Ų230.6 Ų30.62%0.01717%0.165CC..  trans-67.3136.1170.400000110.5I206 V216 I218 A231I206-A236 HydrophobicContact CG2-CB 3.97Å; V216-A236 HydrophobicContact CB-CB 4.39Å; V216-A236 HydrophobicContact CG1-CB 4.38Å; I218-A236 HydrophobicContact CD1-CB 3.97Å; I218-A236 HydrophobicContact CG1-CB 4.01Å; A231-A236 HydrophobicContact CB-CB 4.3Å; A231-A236 VanDerWaalsContact O-CB 3.32Å; A231-A236 WeakPolarHBondContact O-CB 3.38Å; A231-A236 PolarHBondContact O-N 2.88Å
237T97.5Very high97.4Very high31 Ų3127.3 Ų27.319%0.1914%0.142CC..  trans-126.1-4.4-176.158.50000113.2V216 Y269V216-T237 PolarHBondContact O-N 3Å; T237-Y269 PolarHBondContact O-N 3.49Å
238G98.1Very high97.2Very high2 Ų229.2 Ų29.22%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-124.4155.6-178.600000112.9V216 S217 I218 Y269V216-G238 PolarHBondContact O-N 3.28Å; V216-G238 VanDerWaalsContact O-N 3.1Å; S217-G238 CarbonylContact C-O 3.6Å; S217-G238 WeakPolarHBondContact CA-O 3.24Å; S217-G238 VanDerWaalsContact OG-C 3.27Å; I218-G238 PolarHBondContact N-O 3.14Å; G238-Y269 CarbonylContact C-O 3.59Å; G238-Y269 VanDerWaalsContact CA-O 3.24Å; G238-Y269 WeakPolarHBondContact CA-O 3.47Å
239I98.4Very high97.1Very high1 Ų135.4 Ų35.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-124127.7160.4-65.1166.8000106.9S217 I218 L242 M246 L256 V259 L260 V268 Y269 Y270 G271S217-I239 VanDerWaalsContact OG-C 3.24Å; S217-I239 PolarHBondContact OG-N 2.99Å; I218-I239 WeakPolarHBondContact O-CA 3.31Å; I239-L242 HydrophobicContact CG2-CD1 3.98Å; I239-M246 HydrophobicContact CG2-CE 4.18Å; I239-L256 HydrophobicContact CD1-CD1 4.11Å; I239-L256 HydrophobicContact CD1-CG 4.06Å; I239-L256 HydrophobicContact CG1-CD1 4.14Å; I239-L256 HydrophobicContact CG1-CD2 4.3Å; I239-L256 HydrophobicContact CG1-CG 4.2Å; I239-L256 HydrophobicContact CG2-CD2 3.64Å; I239-L256 HydrophobicContact CG2-CG 4.15Å; I239-V259 HydrophobicContact CD1-CB 4.27Å; I239-V259 HydrophobicContact CD1-CG1 4.15Å; I239-L260 HydrophobicContact CD1-CD2 4.48Å; I239-V268 HydrophobicContact CD1-CG1 4.3Å; I239-V268 HydrophobicContact CG1-CG1 4.46Å; I239-Y269 PolarHBondContact N-O 2.9Å; I239-Y270 CarbonylContact O-C 3.57Å; I239-Y270 WeakPolarHBondContact O-CA 3.38Å; I239-G271 PolarHBondContact O-N 3.06Å
240T98.7Very high97.2Very high3 Ų337.5 Ų37.52%0.01819%0.194CC..SBendtrans-82.8135.3-179.2-49.60000109.1T194 S217 I218 L242 M246T194-T240 HydrophobicContact CG2-CG2 4.06Å; T194-T240 WeakPolarHBondContact CG2-OG1 3.25Å; T194-T240 PolarHBondContact OG1-OG1 2.75Å; S217-T240 VanDerWaalsContact CB-OG1 3.23Å; S217-T240 WeakPolarHBondContact CB-OG1 3.48Å; S217-T240 PolarHBondContact OG-N 3.45Å; S217-T240 VanDerWaalsContact OG-N 3.09Å; S217-T240 PolarHBondContact OG-OG1 3.22Å; I218-T240 PolarHBondContact O-N 3.25Å; T240-L242 PolarHBondContact O-N 2.87Å; T240-M246 WeakPolarHBondContact O-CE 3.37Å
241H98Very high97.1Very high4 Ų438 Ų382%0.01920%0.201CC..SBendtrans28.160.4176.653.935.1000115.8Q78 E151 H220 F243 N244 G271 I273 D300Q78-H241 PolarHBondContact NE2-CD2 3.08Å; Q78-H241 VanDerWaalsContact NE2-CD2 3.26Å; E151-H241 IonicContact OE1-CD2 2.71Å; E151-H241 IonicContact OE1-CE1 3.81Å; E151-H241 IonicContact OE1-NE2 3.94Å; E151-H241 PolarHBondContact OE1-NE2 2.85Å; H220-H241 AromaticContact CD2-CE1 3.59Å; H220-H241 AromaticContact CD2-NE2 3.56Å; H220-H241 AromaticContact NE2-CE1 3.38Å; H220-H241 PolarHBondContact NE2-CE1 3.06Å; H220-H241 AromaticContact NE2-NE2 3Å; H220-H241 PolarHBondContact NE2-NE2 2.95Å; H241-F243 PolarHBondContact O-N 3.02Å; H241-N244 HydrophobicContact CB-CB 4.29Å; H241-N244 PolarHBondContact ND1-O 3.03Å; H241-N244 VanDerWaalsContact O-CB 3.27Å; H241-N244 WeakPolarHBondContact O-CB 3.39Å; H241-N244 PolarHBondContact O-N 3.14Å; H241-N244 PolarHBondContact O-ND2 3.14Å; H241-G271 CarbonylContact C-O 3.46Å; H241-G271 VanDerWaalsContact CA-O 3.28Å; H241-G271 WeakPolarHBondContact CA-O 3.47Å; H241-G271 PolarHBondContact N-O 3.14Å; H241-I273 HydrophobicContact CB-CD1 3.89Å; H241-I273 HydrophobicContact CB-CG1 4.18Å; H241-D300 IonicContact CD2-OD2 2.95Å
242L98Very high97Very high0 Ų047.2 Ų47.20%024%0.236CC..THydrogen-bonded Turntrans-33.5133-176.4-174.475.6000113.3I239 T240 N244 M246 L260 Y270 G271 I272 A287I239-L242 HydrophobicContact CG2-CD1 3.98Å; T240-L242 PolarHBondContact O-N 2.87Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.21Å; L242-N244 PolarHBondContact O-ND2 3.25Å; L242-M246 HydrophobicContact CD1-SD 4.36Å; L242-L260 HydrophobicContact CD1-CD1 4.48Å; L242-L260 HydrophobicContact CD2-CD1 3.58Å; L242-Y270 HydrophobicContact CB-CD2 4.07Å; L242-Y270 HydrophobicContact CD2-CD2 3.7Å; L242-Y270 HydrophobicContact CD2-CE2 3.88Å; L242-Y270 HydrophobicContact CD2-CG 4.4Å; L242-Y270 HydrophobicContact CG-CD2 4.44Å; L242-G271 PolarHBondContact N-O 3.39Å; L242-I272 HydrophobicContact CD2-CD1 4.34Å; L242-A287 HydrophobicContact CD2-CB 3.74Å
243F97.5Very high97Very high65 Ų6548.7 Ų48.729%0.28524%0.244SC..THydrogen-bonded Turntrans79.8-23.3-172.1-49-64.5000116.1H241 M246 P257 I272 A283 A287H241-F243 PolarHBondContact O-N 3.02Å; F243-M246 VanDerWaalsContact N-CE 3.3Å; F243-M246 PolarHBondContact N-SD 2.87Å; F243-P257 HydrophobicContact CD1-CB 4.43Å; F243-P257 HydrophobicContact CD1-CG 4.06Å; F243-P257 HydrophobicContact CE1-CB 4Å; F243-P257 HydrophobicContact CE1-CG 4.14Å; F243-I272 HydrophobicContact CD2-CD1 4.43Å; F243-I272 HydrophobicContact CE2-CD1 4.19Å; F243-A283 HydrophobicContact CD2-CB 4.39Å; F243-A283 HydrophobicContact CE2-CB 4.12Å; F243-A287 HydrophobicContact CE2-CB 4.02Å; F243-A287 HydrophobicContact CZ-CB 4.19Å
244N97.5Very high97Very high28 Ų2844.4 Ų44.415%0.1523%0.227CC..THydrogen-bonded Turntrans-86.3142.5-179.6-56.1-81.9000111.2H241 L242 M246 H278H241-N244 HydrophobicContact CB-CB 4.29Å; H241-N244 PolarHBondContact ND1-O 3.03Å; H241-N244 VanDerWaalsContact O-CB 3.27Å; H241-N244 WeakPolarHBondContact O-CB 3.39Å; H241-N244 PolarHBondContact O-N 3.14Å; H241-N244 PolarHBondContact O-ND2 3.14Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.21Å; L242-N244 PolarHBondContact O-ND2 3.25Å; N244-M246 VanDerWaalsContact O-CE 3.25Å; N244-M246 WeakPolarHBondContact O-CE 3.39Å; N244-M246 PolarHBondContact O-N 3.09Å; N244-H278 PolarHBondContact OD1-O 3.18Å
245A97Very high97Very high28 Ų2844.4 Ų44.423%0.23123%0.227CC..THydrogen-bonded Turntrans4739.1177.800000114.7R159 H220 C221R159-A245 WeakPolarHBondContact CB-O 3.28Å; H220-A245 CarbonylContact C-O 3.53Å; H220-A245 WeakPolarHBondContact CA-O 3Å; H220-A245 PolarHBondContact N-O 2.96Å; H220-A245 WeakPolarHBondContact ND1-CB 3.46Å; C221-A245 PolarHBondContact N-O 3.37Å; C221-A245 VanDerWaalsContact N-O 3.14Å
246M97.4Very high97Very high8 Ų843.2 Ų43.24%0.03922%0.215CC..BIsolated β-bridgetrans-135.5169.5178.360.6-173.770.900112.6R159 C221 I239 T240 L242 F243 N244 L256 P257R159-M246 VanDerWaalsContact CZ-O 3.32Å; R159-M246 PolarHBondContact NE-O 3.5Å; C221-M246 VanDerWaalsContact O-CA 3.27Å; C221-M246 WeakPolarHBondContact O-CA 3.45Å; I239-M246 HydrophobicContact CG2-CE 4.18Å; T240-M246 WeakPolarHBondContact O-CE 3.37Å; L242-M246 HydrophobicContact CD1-SD 4.36Å; F243-M246 VanDerWaalsContact N-CE 3.3Å; F243-M246 PolarHBondContact N-SD 2.87Å; N244-M246 VanDerWaalsContact O-CE 3.25Å; N244-M246 WeakPolarHBondContact O-CE 3.39Å; N244-M246 PolarHBondContact O-N 3.09Å; M246-L256 HydrophobicContact CE-CD2 4.08Å; M246-L256 HydrophobicContact SD-CB 4.25Å; M246-L256 HydrophobicContact SD-CD2 4.01Å; M246-P257 HydrophobicContact SD-CG 4.26Å
247S96.7Very high96.9Very high16 Ų1643.8 Ų43.811%0.11222%0.218CC..PPolyproline II helixtrans-60.2131.5169.4-73.30000110.6C221 K222 C255C221-S247 PolarHBondContact O-N 3.25Å; K222-S247 VanDerWaalsContact CA-OG 3.31Å; K222-S247 WeakPolarHBondContact CA-OG 3.43Å; K222-S247 PolarHBondContact O-OG 2.93Å; S247-C255 VanDerWaalsContact CB-SG 3.56Å
248P95.1Very high96.8Very high92 Ų9242.5 Ų42.560%0.59721%0.211SC*.PPolyproline II helixtrans-66.2155.8179.429.8-35.4000110.2H250P248-H250 PolarHBondContact O-N 2.63Å
249F95.2Very high96.7Very high130 Ų13042.4 Ų42.457%0.5721%0.21SC*.PPolyproline II helixtrans-60.5130.9172178.9-84.6000110.5P254 P257F249-P254 HydrophobicContact CD2-CB 3.81Å; F249-P254 HydrophobicContact CE2-CB 3.55Å; F249-P254 HydrophobicContact CE2-CG 3.98Å; F249-P254 HydrophobicContact CZ-CB 4.37Å; F249-P254 HydrophobicContact CZ-CG 4.36Å; F249-P257 HydrophobicContact CD2-CB 4.41Å
250H96.4Very high96.5Very high74 Ų7442.8 Ų42.834%0.34321%0.212SC..BIsolated β-bridgetrans-133.6139.5172.4-179.1-80.9000109.5P248 R252 D253 P254P248-H250 PolarHBondContact O-N 2.63Å; H250-R252 VanDerWaalsContact C-N 3.26Å; H250-R252 PolarHBondContact CE1-NE 3.33Å; H250-R252 PolarHBondContact CE1-NH2 3.47Å; H250-R252 PolarHBondContact ND1-N 3.06Å; H250-R252 VanDerWaalsContact ND1-N 3.14Å; H250-R252 PolarHBondContact NE2-NH2 2.85Å; H250-R252 PolarHBondContact O-N 3.19Å; H250-R252 VanDerWaalsContact O-N 3.14Å; H250-D253 PolarHBondContact N-O 2.83Å; H250-D253 CarbonylContact O-C 3.57Å; H250-D253 PolarHBondContact O-N 3.35Å; H250-P254 WeakPolarHBondContact O-CA 3.42Å
251H94.8Very high96.2Very high134 Ų13446.6 Ų46.662%0.6224%0.244SC*.THydrogen-bonded Turntrans-63.1-25.9-172.156.9-69.7000114.8
252R96.1Very high95.9Very high194 Ų19448.3 Ų48.373%0.73226%0.256SS*.THydrogen-bonded Turntrans-85.8-20.9173.5-67.6-174.6-73.7-91.8-5.9114.6H250H250-R252 VanDerWaalsContact C-N 3.26Å; H250-R252 PolarHBondContact CE1-NE 3.33Å; H250-R252 PolarHBondContact CE1-NH2 3.47Å; H250-R252 PolarHBondContact ND1-N 3.06Å; H250-R252 VanDerWaalsContact ND1-N 3.14Å; H250-R252 PolarHBondContact NE2-NH2 2.85Å; H250-R252 PolarHBondContact O-N 3.19Å; H250-R252 VanDerWaalsContact O-N 3.14Å
253D96.7Very high94.7Very high53 Ų5348.3 Ų48.328%0.28326%0.256SS..BIsolated β-bridgetrans-150.996.7172178.97.9000107S224 L225 H250 C255S224-D253 WeakPolarHBondContact CA-OD2 3.27Å; S224-D253 WeakPolarHBondContact CB-OD2 3.4Å; L225-D253 WeakPolarHBondContact CB-OD1 3.38Å; L225-D253 PolarHBondContact N-OD1 3.24Å; H250-D253 PolarHBondContact N-O 2.83Å; H250-D253 CarbonylContact O-C 3.57Å; H250-D253 PolarHBondContact O-N 3.35Å; D253-C255 PolarHBondContact O-N 3.06Å; D253-C255 PolarHBondContact O-SG 2.61Å; D253-C255 VanDerWaalsContact O-SG 3.35Å; D253-C255 PolarHBondContact OD1-N 3.09Å
254P96.2Very high93.1Very high31 Ų3152 Ų5220%0.20128%0.279CS..  trans-60-5.9179-34.142.6000115.2F249 H250 P257 G258F249-P254 HydrophobicContact CD2-CB 3.81Å; F249-P254 HydrophobicContact CE2-CB 3.55Å; F249-P254 HydrophobicContact CE2-CG 3.98Å; F249-P254 HydrophobicContact CZ-CB 4.37Å; F249-P254 HydrophobicContact CZ-CG 4.36Å; H250-P254 WeakPolarHBondContact O-CA 3.42Å; P254-P257 WeakPolarHBondContact O-CD 3.41Å; P254-G258 VanDerWaalsContact CB-CA 3.44Å; P254-G258 PolarHBondContact O-N 3.13Å; P254-G258 VanDerWaalsContact O-N 3.14Å
255C97.2Very high91.6Very high11 Ų1158.5 Ų58.57%0.07431%0.314CS..THydrogen-bonded Turntrans52.9-151.2-178.2-61.30000111.8A223 S247 D253 G258A223-C255 WeakPolarHBondContact O-CB 3.3Å; S247-C255 VanDerWaalsContact CB-SG 3.56Å; D253-C255 PolarHBondContact O-N 3.06Å; D253-C255 PolarHBondContact O-SG 2.61Å; D253-C255 VanDerWaalsContact O-SG 3.35Å; D253-C255 PolarHBondContact OD1-N 3.09Å; C255-G258 PolarHBondContact O-N 2.71Å; C255-G258 VanDerWaalsContact O-N 3.09Å
256L95.7Very high90.4Very high1 Ų161.1 Ų61.11%0.00532%0.317CS..G310 helixtrans-58.9-40.2-179.9-165.964.8000113.8I218 I239 M246 G258 V259I218-L256 HydrophobicContact CB-CD1 4.19Å; I218-L256 HydrophobicContact CB-CD2 4.23Å; I218-L256 HydrophobicContact CD1-CD1 4.18Å; I218-L256 HydrophobicContact CG2-CD1 3.69Å; I218-L256 HydrophobicContact CG2-CD2 3.63Å; I218-L256 HydrophobicContact CG2-CG 4.33Å; I239-L256 HydrophobicContact CD1-CD1 4.11Å; I239-L256 HydrophobicContact CD1-CG 4.06Å; I239-L256 HydrophobicContact CG1-CD1 4.14Å; I239-L256 HydrophobicContact CG1-CD2 4.3Å; I239-L256 HydrophobicContact CG1-CG 4.2Å; I239-L256 HydrophobicContact CG2-CD2 3.64Å; I239-L256 HydrophobicContact CG2-CG 4.15Å; M246-L256 HydrophobicContact CE-CD2 4.08Å; M246-L256 HydrophobicContact SD-CB 4.25Å; M246-L256 HydrophobicContact SD-CD2 4.01Å; L256-G258 PolarHBondContact O-N 2.89Å; L256-V259 HydrophobicContact CD1-CG2 4.07Å; L256-V259 WeakPolarHBondContact O-CB 3.49Å; L256-V259 WeakPolarHBondContact O-CG2 3.48Å; L256-V259 PolarHBondContact O-N 3.46Å
257P95.9Very high89.8Confident13 Ų1368.9 Ų68.98%0.08435%0.351CS..G310 helixtrans-57.1-30.6173.7-27.636.3000114.1F243 M246 F249 P254 V259 L260F243-P257 HydrophobicContact CD1-CB 4.43Å; F243-P257 HydrophobicContact CD1-CG 4.06Å; F243-P257 HydrophobicContact CE1-CB 4Å; F243-P257 HydrophobicContact CE1-CG 4.14Å; M246-P257 HydrophobicContact SD-CG 4.26Å; F249-P257 HydrophobicContact CD2-CB 4.41Å; P254-P257 WeakPolarHBondContact O-CD 3.41Å; P257-V259 PolarHBondContact O-N 2.98Å; P257-L260 WeakPolarHBondContact O-CB 3.39Å; P257-L260 WeakPolarHBondContact O-CG 3.47Å; P257-L260 PolarHBondContact O-N 3.2Å
258G95.9Very high89.7Confident4 Ų468.2 Ų68.24%0.04135%0.346CS..G310 helixtrans-60.6-24.9175.100000114.9P254 C255 L256 L260 A261P254-G258 VanDerWaalsContact CB-CA 3.44Å; P254-G258 PolarHBondContact O-N 3.13Å; P254-G258 VanDerWaalsContact O-N 3.14Å; C255-G258 PolarHBondContact O-N 2.71Å; C255-G258 VanDerWaalsContact O-N 3.09Å; L256-G258 PolarHBondContact O-N 2.89Å; G258-L260 PolarHBondContact O-N 3.1Å; G258-A261 PolarHBondContact O-N 2.92Å; G258-A261 VanDerWaalsContact O-N 3.07Å
259V95.4Very high89.8Confident1 Ų165.2 Ų65.21%0.00632%0.323CS..Hα-helixtrans-56-35.3177.3169.10000111.1L225 L229 I232 I239 L256 P257 A261 C262 A263 V268L225-V259 HydrophobicContact CD1-CG2 4.02Å; L229-V259 HydrophobicContact CD2-CG2 4.16Å; I232-V259 HydrophobicContact CD1-CB 4.45Å; I232-V259 HydrophobicContact CD1-CG1 3.3Å; I232-V259 HydrophobicContact CD1-CG2 4.29Å; I239-V259 HydrophobicContact CD1-CB 4.27Å; I239-V259 HydrophobicContact CD1-CG1 4.15Å; L256-V259 HydrophobicContact CD1-CG2 4.07Å; L256-V259 WeakPolarHBondContact O-CB 3.49Å; L256-V259 WeakPolarHBondContact O-CG2 3.48Å; L256-V259 PolarHBondContact O-N 3.46Å; P257-V259 PolarHBondContact O-N 2.98Å; V259-A261 VanDerWaalsContact C-N 3.26Å; V259-A261 PolarHBondContact O-N 3.35Å; V259-C262 CarbonylContact O-C 3.42Å; V259-C262 PolarHBondContact O-N 2.95Å; V259-A263 PolarHBondContact O-N 3.5Å; V259-V268 HydrophobicContact CG1-CG1 4.41Å
260L94.5Very high90Very high9 Ų959 Ų595%0.04730%0.296CS..Hα-helixtrans-59-37.7179.4-58.6-168.2000112.3I239 L242 P257 G258 C262 A263 Y270 A287 V290 Y291I239-L260 HydrophobicContact CD1-CD2 4.48Å; L242-L260 HydrophobicContact CD1-CD1 4.48Å; L242-L260 HydrophobicContact CD2-CD1 3.58Å; P257-L260 WeakPolarHBondContact O-CB 3.39Å; P257-L260 WeakPolarHBondContact O-CG 3.47Å; P257-L260 PolarHBondContact O-N 3.2Å; G258-L260 PolarHBondContact O-N 3.1Å; L260-C262 VanDerWaalsContact C-N 3.26Å; L260-C262 PolarHBondContact O-N 3.18Å; L260-A263 PolarHBondContact O-N 3.21Å; L260-Y270 HydrophobicContact CD1-CE1 4.24Å; L260-Y270 HydrophobicContact CD1-CE2 4.49Å; L260-Y270 HydrophobicContact CD2-CD1 3.42Å; L260-Y270 VanDerWaalsContact CD2-CD1 3.42Å; L260-Y270 HydrophobicContact CD2-CE1 3.63Å; L260-Y270 HydrophobicContact CD2-CG 4.02Å; L260-A287 HydrophobicContact CD1-CB 4.22Å; L260-V290 HydrophobicContact CB-CB 4.48Å; L260-V290 HydrophobicContact CB-CG1 3.67Å; L260-Y291 HydrophobicContact CD2-CD1 4.21Å
261A93Very high90.1Very high82 Ų8255.6 Ų55.668%0.67828%0.281SS*.Hα-helixtrans-76.9-13.8178.400000113G258 V259 V290G258-A261 PolarHBondContact O-N 2.92Å; G258-A261 VanDerWaalsContact O-N 3.07Å; V259-A261 VanDerWaalsContact C-N 3.26Å; V259-A261 PolarHBondContact O-N 3.35Å; A261-V290 HydrophobicContact CB-CG1 4.16Å
262C90.8Very high90.3Very high40 Ų4049.2 Ų49.227%0.2725%0.251SS..Hα-helixtrans-102.1-4.6177.7-60.90000112.8L229 V259 L260 D264 R266L229-C262 HydrophobicContact CD2-CB 3.81Å; V259-C262 CarbonylContact O-C 3.42Å; V259-C262 PolarHBondContact O-N 2.95Å; L260-C262 VanDerWaalsContact C-N 3.26Å; L260-C262 PolarHBondContact O-N 3.18Å; C262-D264 PolarHBondContact O-N 3.35Å; C262-D264 VanDerWaalsContact O-N 3.1Å; C262-R266 VanDerWaalsContact O-CZ 3.26Å; C262-R266 PolarHBondContact O-NE 3.37Å; C262-R266 PolarHBondContact O-NH2 2.88Å
263A73.4Confident90.4Very high1 Ų140 Ų401%0.00822%0.217CC..  trans-76.36.3-166.900000114.8V259 L260 N265 R266 Y291V259-A263 PolarHBondContact O-N 3.5Å; L260-A263 PolarHBondContact O-N 3.21Å; A263-N265 PolarHBondContact O-N 3Å; A263-R266 PolarHBondContact O-N 2.69Å; A263-Y291 HydrophobicContact CB-CD1 3.99Å; A263-Y291 HydrophobicContact CB-CD2 4.12Å; A263-Y291 HydrophobicContact CB-CE1 3.75Å; A263-Y291 HydrophobicContact CB-CE2 3.89Å; A263-Y291 HydrophobicContact CB-CG 4.18Å
264D64.9Low90.4Very high142 Ų14237.5 Ų37.576%0.75920%0.203SC*.THydrogen-bonded Turntrans-60.8127.7179.4-149.4-2.4000110.4C262 R266C262-D264 PolarHBondContact O-N 3.35Å; C262-D264 VanDerWaalsContact O-N 3.1Å; D264-R266 PolarHBondContact O-N 3.23Å
265N64.4Low90.4Very high165 Ų16536.1 Ų36.188%0.88219%0.194SC*.THydrogen-bonded Turntrans62.7-3.1-166.2-64-35.2000118.9A263A263-N265 PolarHBondContact O-N 3Å
266R71.7Confident90.2Very high82 Ų8239 Ų3931%0.30921%0.207SC..  trans-91.7135.2177.7-67.8-177.3-104.1-145.8-6.6110.9C262 A263 D264 V268 Y291C262-R266 VanDerWaalsContact O-CZ 3.26Å; C262-R266 PolarHBondContact O-NE 3.37Å; C262-R266 PolarHBondContact O-NH2 2.88Å; A263-R266 PolarHBondContact O-N 2.69Å; D264-R266 PolarHBondContact O-N 3.23Å; R266-V268 VanDerWaalsContact C-N 3.27Å; R266-V268 HydrophobicContact CB-CG2 4.16Å; R266-V268 PolarHBondContact O-N 3.03Å; R266-Y291 PolarHBondContact O-OH 3.1Å
267K85.3Confident90.2Very high172 Ų17240.4 Ų40.475%0.74822%0.215SC*.  trans-83.270.4174.6-67.8-174.3178.7-178.40110.5
268V95.3Very high90.2Very high2 Ų241 Ų411%0.01222%0.216CC..  trans-107.6137.2174.3-179.60000108.2I232 I239 V259 R266 Y291I232-V268 HydrophobicContact CB-CG2 4.46Å; I232-V268 HydrophobicContact CD1-CG1 4.35Å; I232-V268 HydrophobicContact CD1-CG2 3.62Å; I232-V268 HydrophobicContact CG1-CG2 3.83Å; I232-V268 HydrophobicContact CG2-CG2 3.75Å; I239-V268 HydrophobicContact CD1-CG1 4.3Å; I239-V268 HydrophobicContact CG1-CG1 4.46Å; V259-V268 HydrophobicContact CG1-CG1 4.41Å; R266-V268 VanDerWaalsContact C-N 3.27Å; R266-V268 HydrophobicContact CB-CG2 4.16Å; R266-V268 PolarHBondContact O-N 3.03Å; V268-Y291 VanDerWaalsContact O-CE1 3.28Å; V268-Y291 WeakPolarHBondContact O-CE1 3.39Å
269Y97.7Very high90.1Very high29 Ų2940.9 Ų40.911%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-118.9158.3173-63.7-93.9000109.2T237 G238 I239 G294 M296 H366 E369 F370T237-Y269 PolarHBondContact O-N 3.49Å; G238-Y269 CarbonylContact C-O 3.59Å; G238-Y269 VanDerWaalsContact CA-O 3.24Å; G238-Y269 WeakPolarHBondContact CA-O 3.47Å; I239-Y269 PolarHBondContact N-O 2.9Å; Y269-G294 CarbonylContact C-O 3.53Å; Y269-G294 VanDerWaalsContact CA-O 3.24Å; Y269-G294 WeakPolarHBondContact CA-O 3.45Å; Y269-M296 HydrophobicContact CD1-CG 4.2Å; Y269-M296 HydrophobicContact CD1-SD 4.2Å; Y269-M296 HydrophobicContact CG-SD 4.17Å; Y269-H366 HydrophobicContact CD1-CB 4.4Å; Y269-H366 HydrophobicContact CE1-CB 4.41Å; Y269-E369 HydrophobicContact CE1-CB 3.96Å; Y269-E369 WeakPolarHBondContact OH-CB 3.35Å; Y269-E369 PolarHBondContact OH-OE2 2.66Å; Y269-F370 HydrophobicContact CD1-CB 4.22Å; Y269-F370 HydrophobicContact CD2-CB 3.79Å; Y269-F370 HydrophobicContact CD2-CD2 4.01Å; Y269-F370 HydrophobicContact CD2-CG 4.38Å; Y269-F370 HydrophobicContact CE2-CB 4.36Å; Y269-F370 HydrophobicContact CG-CB 3.73Å; Y269-F370 HydrophobicContact CG-CD2 4.26Å; Y269-F370 HydrophobicContact CG-CG 4.37Å
270Y98.2Very high90.1Very high0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-140.2129177.460.7-86.6000110.6I239 L242 L260 I272 A287 Y291 G294 M295 M296I239-Y270 CarbonylContact O-C 3.57Å; I239-Y270 WeakPolarHBondContact O-CA 3.38Å; L242-Y270 HydrophobicContact CB-CD2 4.07Å; L242-Y270 HydrophobicContact CD2-CD2 3.7Å; L242-Y270 HydrophobicContact CD2-CE2 3.88Å; L242-Y270 HydrophobicContact CD2-CG 4.4Å; L242-Y270 HydrophobicContact CG-CD2 4.44Å; L260-Y270 HydrophobicContact CD1-CE1 4.24Å; L260-Y270 HydrophobicContact CD1-CE2 4.49Å; L260-Y270 HydrophobicContact CD2-CD1 3.42Å; L260-Y270 VanDerWaalsContact CD2-CD1 3.42Å; L260-Y270 HydrophobicContact CD2-CE1 3.63Å; L260-Y270 HydrophobicContact CD2-CG 4.02Å; Y270-I272 HydrophobicContact CD2-CB 4.42Å; Y270-A287 HydrophobicContact CE2-CB 4.06Å; Y270-A287 PolarHBondContact OH-O 3.15Å; Y270-Y291 HydrophobicContact CD1-CD1 4.29Å; Y270-Y291 AromaticContact CE1-CD1 3.83Å; Y270-Y291 HydrophobicContact CE1-CD1 3.83Å; Y270-Y291 VanDerWaalsContact CE1-O 3.26Å; Y270-Y291 WeakPolarHBondContact CE1-O 3.34Å; Y270-Y291 PolarHBondContact OH-O 2.85Å; Y270-G294 WeakPolarHBondContact CD1-O 3.25Å; Y270-G294 PolarHBondContact N-O 2.94Å; Y270-M295 HydrophobicContact CE1-CB 4.23Å; Y270-M295 HydrophobicContact CE2-CB 3.9Å; Y270-M295 HydrophobicContact CE2-CE 3.84Å; Y270-M295 HydrophobicContact CE2-CG 3.94Å; Y270-M295 WeakPolarHBondContact OH-CB 3.38Å; Y270-M295 WeakPolarHBondContact OH-CE 3.28Å; Y270-M296 PolarHBondContact O-N 2.91Å
271G98.6Very high90.2Very high2 Ų250.8 Ų50.82%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-70.8139.6168.100000109.6I239 H241 L242 M296I239-G271 PolarHBondContact O-N 3.06Å; H241-G271 CarbonylContact C-O 3.46Å; H241-G271 VanDerWaalsContact CA-O 3.28Å; H241-G271 WeakPolarHBondContact CA-O 3.47Å; H241-G271 PolarHBondContact N-O 3.14Å; L242-G271 PolarHBondContact N-O 3.39Å; G271-M296 CarbonylContact C-O 3.5Å; G271-M296 WeakPolarHBondContact CA-O 3.19Å
272I98.5Very high90.4Very high0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-139132.8171.3-160.6165.9000110.1L242 F243 Y270 L284 A287 M295 M296 L297 V298L242-I272 HydrophobicContact CD2-CD1 4.34Å; F243-I272 HydrophobicContact CD2-CD1 4.43Å; F243-I272 HydrophobicContact CE2-CD1 4.19Å; Y270-I272 HydrophobicContact CD2-CB 4.42Å; I272-L284 HydrophobicContact CD1-CD2 3.54Å; I272-L284 HydrophobicContact CG1-CD2 3.67Å; I272-A287 HydrophobicContact CD1-CB 3.92Å; I272-M295 HydrophobicContact CD1-CE 4.31Å; I272-M295 HydrophobicContact CG2-CE 4.2Å; I272-M295 HydrophobicContact CG2-CG 3.86Å; I272-M295 HydrophobicContact CG2-SD 4.19Å; I272-M296 PolarHBondContact N-O 3.02Å; I272-L297 HydrophobicContact CG2-CD2 4.2Å; I272-V298 PolarHBondContact O-N 3.32Å
273I98.3Very high90.7Very high1 Ų150.6 Ų50.61%0.00525%0.245CC..  trans-88.7108178.4-54.3165.1000107.7H241 D275 H278 V298 D300H241-I273 HydrophobicContact CB-CD1 3.89Å; H241-I273 HydrophobicContact CB-CG1 4.18Å; I273-D275 HydrophobicContact CG2-CB 4.22Å; I273-D275 PolarHBondContact O-N 2.85Å; I273-H278 HydrophobicContact CB-CB 4Å; I273-H278 HydrophobicContact CD1-CB 4.19Å; I273-H278 HydrophobicContact CG2-CB 4.09Å; I273-V298 HydrophobicContact CG1-CG2 4.01Å; I273-D300 HydrophobicContact CD1-CB 3.49Å; I273-D300 VanDerWaalsContact CD1-CB 3.49Å; I273-D300 HydrophobicContact CG1-CB 3.89Å
274A97.8Very high91.8Very high0 Ų050.6 Ų50.60%025%0.245CC..  trans-96.960-175.500000112.2L284 L297 C344 S347 L348A274-L284 HydrophobicContact CB-CD1 4.01Å; A274-L284 HydrophobicContact CB-CD2 4.1Å; A274-L297 HydrophobicContact CB-CD2 3.49Å; A274-L297 VanDerWaalsContact CB-CD2 3.49Å; A274-C344 HydrophobicContact CB-CB 4.24Å; A274-C344 WeakPolarHBondContact O-CA 3.49Å; A274-S347 WeakPolarHBondContact O-CB 3.14Å; A274-L348 HydrophobicContact CB-CB 4.27Å
275D95.9Very high93.4Very high1 Ų143.8 Ų43.81%0.00521%0.208CC..SBendtrans-110.61.9-17764.5-0.1000114.6I273 V277 H278 T339I273-D275 HydrophobicContact CG2-CB 4.22Å; I273-D275 PolarHBondContact O-N 2.85Å; D275-V277 PolarHBondContact O-N 3.08Å; D275-V277 VanDerWaalsContact O-N 3.17Å; D275-V277 WeakPolarHBondContact OD1-CA 3.48Å; D275-V277 PolarHBondContact OD1-N 2.79Å; D275-H278 PolarHBondContact OD1-N 2.92Å; D275-H278 IonicContact OD1-ND1 2.87Å; D275-H278 IonicContact OD2-CE1 2.69Å; D275-H278 IonicContact OD2-CG 3.89Å; D275-H278 IonicContact OD2-ND1 2.6Å; D275-H278 PolarHBondContact OD2-ND1 2.81Å; D275-T339 HydrophobicContact CB-CG2 4.17Å; D275-T339 VanDerWaalsContact CB-OG1 3.29Å; D275-T339 WeakPolarHBondContact CB-OG1 3.35Å
276E93.7Very high94.9Very high73 Ų7340.7 Ų40.734%0.34119%0.191SC..SBendtrans60.510.5-171.8-57.2-177.6-172.300114.2C279 K350E276-C279 WeakPolarHBondContact CA-O 3.36Å; E276-K350 IonicContact OE1-NZ 2.63Å
277V95.2Very high96.1Very high30 Ų3036.8 Ų36.818%0.18218%0.177CC..SBendtrans-110.6-53.8179.8168.70000111.2D275 R324 R325 L334D275-V277 PolarHBondContact O-N 3.08Å; D275-V277 VanDerWaalsContact O-N 3.17Å; D275-V277 WeakPolarHBondContact OD1-CA 3.48Å; D275-V277 PolarHBondContact OD1-N 2.79Å; V277-R324 HydrophobicContact CG2-CB 3.79Å; V277-R325 HydrophobicContact CG1-CB 4.45Å; V277-R325 HydrophobicContact CG1-CG 3.79Å; V277-R325 HydrophobicContact CG2-CG 4.24Å; V277-L334 HydrophobicContact CG1-CD1 4.18Å; V277-L334 HydrophobicContact CG1-CD2 4.03Å
278H95.3Very high96.6Very high24 Ų2429.9 Ų29.911%0.11115%0.147CC..SBendtrans-75.3-37.3176.5-73.579.2000111N244 I273 D275 G336N244-H278 PolarHBondContact OD1-O 3.18Å; I273-H278 HydrophobicContact CB-CB 4Å; I273-H278 HydrophobicContact CD1-CB 4.19Å; I273-H278 HydrophobicContact CG2-CB 4.09Å; D275-H278 PolarHBondContact OD1-N 2.92Å; D275-H278 IonicContact OD1-ND1 2.87Å; D275-H278 IonicContact OD2-CE1 2.69Å; D275-H278 IonicContact OD2-CG 3.89Å; D275-H278 IonicContact OD2-ND1 2.6Å; D275-H278 PolarHBondContact OD2-ND1 2.81Å; H278-G336 PolarHBondContact CE1-O 3.48Å; H278-G336 PolarHBondContact NE2-O 3.2Å
279C93.7Very high96.7Very high3 Ų337.4 Ų37.42%0.0218%0.175CC..SBendtrans-129.2122.3-179-166.50000110.2E276 A283 L284E276-C279 WeakPolarHBondContact CA-O 3.36Å; C279-A283 VanDerWaalsContact SG-CB 3.5Å; C279-L284 HydrophobicContact CB-CD2 3.72Å; C279-L284 HydrophobicContact CB-CG 4.1Å
280H96.3Very high96.5Very high122 Ų12239 Ų3957%0.56519%0.188SC*.  trans-60.2144.5173.8-173.8-97.5000110.2E282 A283 L284H280-E282 PolarHBondContact ND1-N 3.09Å; H280-E282 PolarHBondContact O-N 2.9Å; H280-A283 HydrophobicContact CB-CB 4.47Å; H280-A283 WeakPolarHBondContact O-CA 3.34Å; H280-A283 WeakPolarHBondContact O-CB 3.26Å; H280-A283 PolarHBondContact O-N 3.28Å; H280-L284 PolarHBondContact O-N 3.31Å
281K96.6Very high96.4Very high95 Ų9540.8 Ų40.841%0.41320%0.195SC..Hα-helixtrans-50.9-38.2-178.166.9177.4-175.81700113.7A283 L284 A285 A351K281-A283 VanDerWaalsContact C-N 3.35Å; K281-L284 WeakPolarHBondContact O-CB 3.45Å; K281-L284 PolarHBondContact O-N 2.8Å; K281-A285 PolarHBondContact O-N 2.99Å; K281-A351 HydrophobicContact CB-CB 3.82Å
282E97.3Very high96.2Very high93 Ų9343.2 Ų43.244%0.43521%0.21SC..Hα-helixtrans-74.6-25.3179.3-56.2-54.2155.700112.9H280 L286H280-E282 PolarHBondContact ND1-N 3.09Å; H280-E282 PolarHBondContact O-N 2.9Å; E282-L286 VanDerWaalsContact O-CB 3.29Å; E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 PolarHBondContact O-N 3.3Å
283A96.9Very high95.9Very high26 Ų2651.4 Ų51.422%0.21524%0.241CC..Hα-helixtrans-74.5-37.2171.900000111.2F243 C279 H280 K281 A285 L286 A287F243-A283 HydrophobicContact CD2-CB 4.39Å; F243-A283 HydrophobicContact CE2-CB 4.12Å; C279-A283 VanDerWaalsContact SG-CB 3.5Å; H280-A283 HydrophobicContact CB-CB 4.47Å; H280-A283 WeakPolarHBondContact O-CA 3.34Å; H280-A283 WeakPolarHBondContact O-CB 3.26Å; H280-A283 PolarHBondContact O-N 3.28Å; K281-A283 VanDerWaalsContact C-N 3.35Å; A283-A285 VanDerWaalsContact C-N 3.35Å; A283-L286 PolarHBondContact O-N 3.4Å; A283-A287 PolarHBondContact O-N 3.25Å
284L97.1Very high95.8Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-57.6-49.1168-62.5175.1000110.6I272 A274 C279 H280 K281 L286 A287 H288 A351I272-L284 HydrophobicContact CD1-CD2 3.54Å; I272-L284 HydrophobicContact CG1-CD2 3.67Å; A274-L284 HydrophobicContact CB-CD1 4.01Å; A274-L284 HydrophobicContact CB-CD2 4.1Å; C279-L284 HydrophobicContact CB-CD2 3.72Å; C279-L284 HydrophobicContact CB-CG 4.1Å; H280-L284 PolarHBondContact O-N 3.31Å; K281-L284 WeakPolarHBondContact O-CB 3.45Å; K281-L284 PolarHBondContact O-N 2.8Å; L284-L286 VanDerWaalsContact C-N 3.35Å; L284-L286 PolarHBondContact O-N 3.19Å; L284-A287 PolarHBondContact O-N 3.23Å; L284-H288 WeakPolarHBondContact O-CB 3.31Å; L284-H288 PolarHBondContact O-N 3.07Å; L284-A351 HydrophobicContact CB-CB 4.17Å; L284-A351 HydrophobicContact CD1-CB 3.86Å
285A97.3Very high95.8Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-63.1-38.3178.200000112.9K281 A283 R289 T352K281-A285 PolarHBondContact O-N 2.99Å; A283-A285 VanDerWaalsContact C-N 3.35Å; A285-R289 WeakPolarHBondContact O-CB 3.4Å; A285-R289 VanDerWaalsContact O-CG 3.24Å; A285-R289 WeakPolarHBondContact O-CG 3.33Å; A285-R289 PolarHBondContact O-N 2.98Å; A285-T352 HydrophobicContact CB-CG2 4.38Å
286L96.8Very high95.9Very high99 Ų9951.5 Ų51.552%0.51824%0.242SC..Hα-helixtrans-62.4-52.7174.8178.962.9000111.3E282 A283 L284 H288 R289 V290E282-L286 VanDerWaalsContact O-CB 3.29Å; E282-L286 WeakPolarHBondContact O-CB 3.36Å; E282-L286 PolarHBondContact O-N 3.3Å; A283-L286 PolarHBondContact O-N 3.4Å; L284-L286 VanDerWaalsContact C-N 3.35Å; L284-L286 PolarHBondContact O-N 3.19Å; L286-H288 VanDerWaalsContact C-N 3.33Å; L286-H288 PolarHBondContact O-N 3.01Å; L286-R289 PolarHBondContact O-N 3.23Å; L286-V290 HydrophobicContact CD1-CG2 4.1Å; L286-V290 VanDerWaalsContact O-CG2 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.34Å; L286-V290 PolarHBondContact O-N 3.07Å
287A96.5Very high96.1Very high1 Ų148 Ų481%0.00823%0.225CC..Hα-helixtrans-58.4-46179.300000111.6L242 F243 L260 Y270 I272 A283 L284 R289 V290 Y291 M295L242-A287 HydrophobicContact CD2-CB 3.74Å; F243-A287 HydrophobicContact CE2-CB 4.02Å; F243-A287 HydrophobicContact CZ-CB 4.19Å; L260-A287 HydrophobicContact CD1-CB 4.22Å; Y270-A287 HydrophobicContact CE2-CB 4.06Å; Y270-A287 PolarHBondContact OH-O 3.15Å; I272-A287 HydrophobicContact CD1-CB 3.92Å; A283-A287 PolarHBondContact O-N 3.25Å; L284-A287 PolarHBondContact O-N 3.23Å; A287-R289 PolarHBondContact O-N 2.71Å; A287-V290 PolarHBondContact O-N 3.15Å; A287-Y291 PolarHBondContact O-N 3.21Å; A287-M295 HydrophobicContact CB-CE 3.97Å
288H96.4Very high96.3Very high26 Ų2646.6 Ų46.612%0.1222%0.217CC..Hα-helixtrans-59.4-43.8177.2177.1-106.1000112.4L284 L286 P292 M295 T352 I358L284-H288 WeakPolarHBondContact O-CB 3.31Å; L284-H288 PolarHBondContact O-N 3.07Å; L286-H288 VanDerWaalsContact C-N 3.33Å; L286-H288 PolarHBondContact O-N 3.01Å; H288-P292 WeakPolarHBondContact O-CA 3.24Å; H288-P292 VanDerWaalsContact O-CB 3.27Å; H288-P292 WeakPolarHBondContact O-CB 3.25Å; H288-P292 WeakPolarHBondContact O-CD 3.31Å; H288-M295 HydrophobicContact CB-CE 3.61Å; H288-M295 HydrophobicContact CB-SD 4.25Å; H288-M295 VanDerWaalsContact N-CE 3.34Å; H288-T352 HydrophobicContact CB-CG2 3.92Å; H288-I358 WeakPolarHBondContact NE2-CG2 3.49Å
289R95.8Very high96.4Very high160 Ų16045.6 Ų45.660%0.60421%0.212SC*.Hα-helixtrans-67.7-38.3179.3-75.2175.8-172.1120.71.9112.8A285 L286 A287A285-R289 WeakPolarHBondContact O-CB 3.4Å; A285-R289 VanDerWaalsContact O-CG 3.24Å; A285-R289 WeakPolarHBondContact O-CG 3.33Å; A285-R289 PolarHBondContact O-N 2.98Å; L286-R289 PolarHBondContact O-N 3.23Å; A287-R289 PolarHBondContact O-N 2.71Å
290V94.7Very high96.6Very high64 Ų6446 Ų4639%0.38822%0.215SC..Hα-helixtrans-72.1-46-177.6175.10000110.9L260 A261 L286 A287L260-V290 HydrophobicContact CB-CB 4.48Å; L260-V290 HydrophobicContact CB-CG1 3.67Å; A261-V290 HydrophobicContact CB-CG1 4.16Å; L286-V290 HydrophobicContact CD1-CG2 4.1Å; L286-V290 VanDerWaalsContact O-CG2 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.34Å; L286-V290 PolarHBondContact O-N 3.07Å; A287-V290 PolarHBondContact O-N 3.15Å
291Y95.2Very high96.7Very high36 Ų3640.2 Ų40.214%0.14119%0.188CC..  trans-150.477.3-176-168.4-127.3000112.6L260 A263 R266 V268 Y270 A287 R293 G294L260-Y291 HydrophobicContact CD2-CD1 4.21Å; A263-Y291 HydrophobicContact CB-CD1 3.99Å; A263-Y291 HydrophobicContact CB-CD2 4.12Å; A263-Y291 HydrophobicContact CB-CE1 3.75Å; A263-Y291 HydrophobicContact CB-CE2 3.89Å; A263-Y291 HydrophobicContact CB-CG 4.18Å; R266-Y291 PolarHBondContact O-OH 3.1Å; V268-Y291 VanDerWaalsContact O-CE1 3.28Å; V268-Y291 WeakPolarHBondContact O-CE1 3.39Å; Y270-Y291 HydrophobicContact CD1-CD1 4.29Å; Y270-Y291 AromaticContact CE1-CD1 3.83Å; Y270-Y291 HydrophobicContact CE1-CD1 3.83Å; Y270-Y291 VanDerWaalsContact CE1-O 3.26Å; Y270-Y291 WeakPolarHBondContact CE1-O 3.34Å; Y270-Y291 PolarHBondContact OH-O 2.85Å; A287-Y291 PolarHBondContact O-N 3.21Å; Y291-R293 VanDerWaalsContact C-N 3.31Å; Y291-R293 HydrophobicContact CE2-CB 4.43Å; Y291-R293 PolarHBondContact O-N 2.86Å; Y291-G294 VanDerWaalsContact CE1-CA 3.49Å; Y291-G294 PolarHBondContact O-N 3.23Å
292P94.5Very high96.8Very high53 Ų5335.7 Ų35.734%0.34417%0.168SC..G310 helixtrans-68.1-29.6-174.924.2-30.9000113H288 G294 M295 H366H288-P292 WeakPolarHBondContact O-CA 3.24Å; H288-P292 VanDerWaalsContact O-CB 3.27Å; H288-P292 WeakPolarHBondContact O-CB 3.25Å; H288-P292 WeakPolarHBondContact O-CD 3.31Å; P292-G294 VanDerWaalsContact C-N 3.29Å; P292-G294 PolarHBondContact O-N 3.16Å; P292-M295 PolarHBondContact O-N 2.75Å; P292-H366 PolarHBondContact O-CE1 3.35Å
293R92.7Very high96.7Very high172 Ų17231.6 Ų31.665%0.64915%0.149SC*.G310 helixtrans-70.6-22.5-175.9-58.8-177.585.91747.4113.6Y291Y291-R293 VanDerWaalsContact C-N 3.31Å; Y291-R293 HydrophobicContact CE2-CB 4.43Å; Y291-R293 PolarHBondContact O-N 2.86Å
294G95.4Very high96.8Very high0 Ų030.4 Ų30.40%014%0.14CC..G310 helixtrans-92.1-9.3177.100000114.1Y269 Y270 Y291 P292 M296Y269-G294 CarbonylContact C-O 3.53Å; Y269-G294 VanDerWaalsContact CA-O 3.24Å; Y269-G294 WeakPolarHBondContact CA-O 3.45Å; Y270-G294 WeakPolarHBondContact CD1-O 3.25Å; Y270-G294 PolarHBondContact N-O 2.94Å; Y291-G294 VanDerWaalsContact CE1-CA 3.49Å; Y291-G294 PolarHBondContact O-N 3.23Å; P292-G294 VanDerWaalsContact C-N 3.29Å; P292-G294 PolarHBondContact O-N 3.16Å; G294-M296 PolarHBondContact O-N 3.04Å
295M97.6Very high96.7Very high0 Ų030.5 Ų30.50%014%0.14CC..EExtended strand (participates in β ladder)trans-70.7124.7-172.9-174.9171.7-83.700111.6Y270 I272 A287 H288 P292 L348 C362 H366Y270-M295 HydrophobicContact CE1-CB 4.23Å; Y270-M295 HydrophobicContact CE2-CB 3.9Å; Y270-M295 HydrophobicContact CE2-CE 3.84Å; Y270-M295 HydrophobicContact CE2-CG 3.94Å; Y270-M295 WeakPolarHBondContact OH-CB 3.38Å; Y270-M295 WeakPolarHBondContact OH-CE 3.28Å; I272-M295 HydrophobicContact CD1-CE 4.31Å; I272-M295 HydrophobicContact CG2-CE 4.2Å; I272-M295 HydrophobicContact CG2-CG 3.86Å; I272-M295 HydrophobicContact CG2-SD 4.19Å; A287-M295 HydrophobicContact CB-CE 3.97Å; H288-M295 HydrophobicContact CB-CE 3.61Å; H288-M295 HydrophobicContact CB-SD 4.25Å; H288-M295 VanDerWaalsContact N-CE 3.34Å; P292-M295 PolarHBondContact O-N 2.75Å; M295-L348 HydrophobicContact CE-CD1 4.46Å; M295-L348 HydrophobicContact SD-CD1 3.71Å; M295-L348 HydrophobicContact SD-CD2 4.03Å; M295-C362 HydrophobicContact CG-CB 4.49Å; M295-H366 WeakPolarHBondContact O-CB 3.41Å; M295-H366 PolarHBondContact O-ND1 2.95Å
296M98.4Very high96.6Very high4 Ų433.1 Ų33.12%0.0217%0.167CC..EExtended strand (participates in β ladder)trans-119.4128.8169.8-57.1-178.4-60.900109V77 Y269 Y270 G271 I272 G294 C362 H366 P367 F370V77-M296 HydrophobicContact CG2-CE 4.43Å; Y269-M296 HydrophobicContact CD1-CG 4.2Å; Y269-M296 HydrophobicContact CD1-SD 4.2Å; Y269-M296 HydrophobicContact CG-SD 4.17Å; Y270-M296 PolarHBondContact O-N 2.91Å; G271-M296 CarbonylContact C-O 3.5Å; G271-M296 WeakPolarHBondContact CA-O 3.19Å; I272-M296 PolarHBondContact N-O 3.02Å; G294-M296 PolarHBondContact O-N 3.04Å; M296-C362 WeakPolarHBondContact CA-O 3.48Å; M296-H366 HydrophobicContact CG-CB 3.91Å; M296-P367 HydrophobicContact SD-CB 4.21Å; M296-F370 HydrophobicContact CE-CB 4.2Å; M296-F370 HydrophobicContact CE-CD1 3.8Å; M296-F370 HydrophobicContact CE-CD2 4.34Å; M296-F370 HydrophobicContact CE-CE1 4.23Å; M296-F370 HydrophobicContact CE-CG 3.86Å; M296-F370 HydrophobicContact SD-CB 3.34Å; M296-F370 WeakPolarHBondContact SD-CB 3.47Å; M296-F370 HydrophobicContact SD-CD1 3.77Å; M296-F370 HydrophobicContact SD-CG 3.66Å
297L98.7Very high96.5Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-73.8133.2168.2-73.5176.8000109.1I272 A274 M341 C344 I345 L348 C362 A363I272-L297 HydrophobicContact CG2-CD2 4.2Å; A274-L297 HydrophobicContact CB-CD2 3.49Å; A274-L297 VanDerWaalsContact CB-CD2 3.49Å; L297-M341 HydrophobicContact CB-SD 3.75Å; L297-C344 HydrophobicContact CD2-CB 4.48Å; L297-I345 HydrophobicContact CD1-CB 4.34Å; L297-I345 HydrophobicContact CD1-CG1 3.62Å; L297-L348 HydrophobicContact CD1-CB 4.38Å; L297-L348 HydrophobicContact CD1-CD2 3.91Å; L297-L348 HydrophobicContact CD2-CB 4.31Å; L297-L348 HydrophobicContact CD2-CD2 4.04Å; L297-L348 HydrophobicContact CG-CD2 4.07Å; L297-C362 HydrophobicContact CD1-CB 4.43Å; L297-C362 HydrophobicContact CG-CB 4.1Å; L297-C362 PolarHBondContact N-O 3.03Å; L297-A363 HydrophobicContact CB-CB 4.47Å; L297-A363 HydrophobicContact CD1-CB 4.32Å
298V98.7Very high96.2Very high1 Ų134.9 Ų34.91%0.00619%0.187CC..  trans-130.3147.8170.5-65.20000108.3V77 Q78 I272 I273V77-V298 HydrophobicContact CG2-CG1 3.51Å; Q78-V298 HydrophobicContact CB-CB 4.09Å; Q78-V298 HydrophobicContact CB-CG1 4.18Å; I272-V298 PolarHBondContact O-N 3.32Å; I273-V298 HydrophobicContact CG1-CG2 4.01Å
299T98.5Very high96.2Very high2 Ų240.1 Ų40.11%0.01221%0.211CC..  trans-84.3-30.417360.70000111.8D76 S301 G337 T339 M341D76-T299 PolarHBondContact OD1-N 3.44Å; D76-T299 VanDerWaalsContact OD2-CB 3.23Å; D76-T299 WeakPolarHBondContact OD2-CB 3.46Å; D76-T299 WeakPolarHBondContact OD2-CG2 3.43Å; D76-T299 PolarHBondContact OD2-N 3.43Å; D76-T299 PolarHBondContact OD2-OG1 2.95Å; T299-S301 PolarHBondContact O-N 2.76Å; T299-S301 VanDerWaalsContact OG1-CB 3.22Å; T299-S301 WeakPolarHBondContact OG1-CB 3.47Å; T299-S301 PolarHBondContact OG1-N 3.46Å; T299-S301 VanDerWaalsContact OG1-N 3.15Å; T299-S301 PolarHBondContact OG1-OG 2.8Å; T299-G337 WeakPolarHBondContact O-CA 3.41Å; T299-T339 WeakPolarHBondContact CG2-O 3.4Å; T299-M341 HydrophobicContact CG2-CB 4.01Å; T299-M341 HydrophobicContact CG2-CE 4.15Å
300D98.1Very high96.2Very high13 Ų1333.8 Ų33.87%0.0720%0.196CC..  trans50.433.7-164.9-165.230.2000111Q78 N80 H241 I273 G336 G337Q78-D300 VanDerWaalsContact CD-OD1 3.24Å; Q78-D300 HydrophobicContact CG-CB 4.36Å; Q78-D300 WeakPolarHBondContact CG-OD1 3.27Å; Q78-D300 VanDerWaalsContact NE2-CG 3.34Å; Q78-D300 PolarHBondContact NE2-OD1 3.12Å; Q78-D300 WeakPolarHBondContact O-CA 3.42Å; Q78-D300 PolarHBondContact O-N 2.76Å; N80-D300 PolarHBondContact ND2-O 3.03Å; N80-D300 PolarHBondContact ND2-OD1 3.28Å; H241-D300 IonicContact CD2-OD2 2.95Å; I273-D300 HydrophobicContact CD1-CB 3.49Å; I273-D300 VanDerWaalsContact CD1-CB 3.49Å; I273-D300 HydrophobicContact CG1-CB 3.89Å; D300-G336 CarbonylContact O-C 3.42Å; D300-G336 VanDerWaalsContact O-CA 3.32Å; D300-G336 WeakPolarHBondContact O-CA 3.26Å; D300-G336 WeakPolarHBondContact OD2-CA 3.39Å; D300-G337 PolarHBondContact O-N 3.05Å
301S97.8Very high96.3Very high0 Ų035.4 Ų35.40%021%0.207CC..BIsolated β-bridgetrans-65.8143.2-163.542.10000112.5N80 G81 T299 M305 G337N80-S301 CarbonylContact C-O 3.5Å; N80-S301 WeakPolarHBondContact CA-O 3.43Å; N80-S301 VanDerWaalsContact CB-O 3.28Å; N80-S301 WeakPolarHBondContact CB-O 3.4Å; N80-S301 PolarHBondContact N-O 3.26Å; N80-S301 PolarHBondContact ND2-O 3.44Å; G81-S301 PolarHBondContact N-O 2.89Å; G81-S301 CarbonylContact O-C 3.37Å; G81-S301 WeakPolarHBondContact O-CB 3.23Å; G81-S301 PolarHBondContact O-OG 3.34Å; T299-S301 PolarHBondContact O-N 2.76Å; T299-S301 VanDerWaalsContact OG1-CB 3.22Å; T299-S301 WeakPolarHBondContact OG1-CB 3.47Å; T299-S301 PolarHBondContact OG1-N 3.46Å; T299-S301 VanDerWaalsContact OG1-N 3.15Å; T299-S301 PolarHBondContact OG1-OG 2.8Å; S301-M305 WeakPolarHBondContact CB-SD 3.28Å; S301-G337 CarbonylContact C-O 2.85Å; S301-G337 VanDerWaalsContact CA-O 3.24Å; S301-G337 WeakPolarHBondContact CA-O 3.47Å
302V97.5Very high96.4Very high0 Ų035.2 Ų35.20%021%0.207CC..  trans-112174.4175.7-58.30000111.4G81 G82 A304 M305 L314 F319 A326 I335 G337 I338G81-V302 CarbonylContact C-O 3.59Å; G82-V302 WeakPolarHBondContact CA-O 3.25Å; G82-V302 PolarHBondContact N-O 2.96Å; V302-A304 HydrophobicContact CG2-CB 4.49Å; V302-A304 PolarHBondContact O-N 3.23Å; V302-M305 WeakPolarHBondContact O-CB 3.44Å; V302-M305 PolarHBondContact O-N 3.48Å; V302-L314 HydrophobicContact CG1-CD2 3.81Å; V302-F319 HydrophobicContact CB-CZ 4.06Å; V302-F319 HydrophobicContact CG2-CE1 4.4Å; V302-F319 HydrophobicContact CG2-CE2 3.81Å; V302-F319 HydrophobicContact CG2-CZ 3.52Å; V302-A326 HydrophobicContact CG2-CB 4.48Å; V302-I335 VanDerWaalsContact CG1-O 3.32Å; V302-I335 WeakPolarHBondContact CG1-O 3.32Å; V302-G337 PolarHBondContact N-O 3.44Å; V302-I338 HydrophobicContact CG2-CG2 3.94Å
303T97.1Very high96.4Very high6 Ų637.5 Ų37.54%0.03721%0.213CC..THydrogen-bonded Turntrans-50.2-30.5-172.866.40000114.3F83 G84 V85 N86 Q313 L314 F319F83-T303 PolarHBondContact N-O 3.47Å; G84-T303 WeakPolarHBondContact CA-O 3.08Å; G84-T303 PolarHBondContact N-O 3.41Å; V85-T303 WeakPolarHBondContact O-CA 3.35Å; V85-T303 VanDerWaalsContact O-CG2 3.22Å; V85-T303 WeakPolarHBondContact O-CG2 3.39Å; N86-T303 HydrophobicContact CB-CG2 3.6Å; T303-Q313 WeakPolarHBondContact CB-O 3.39Å; T303-Q313 WeakPolarHBondContact CG2-O 3.45Å; T303-Q313 PolarHBondContact OG1-O 3.45Å; T303-L314 HydrophobicContact CG2-CD1 4.15Å; T303-F319 WeakPolarHBondContact OG1-CZ 3.38Å
304A97Very high96.4Very high2 Ų229.5 Ų29.52%0.01718%0.183CC..THydrogen-bonded Turntrans-77.6-14.2-179.100000115.3V302 G306 L307 H312 F319 V321 I338V302-A304 HydrophobicContact CG2-CB 4.49Å; V302-A304 PolarHBondContact O-N 3.23Å; A304-G306 PolarHBondContact O-N 3Å; A304-L307 PolarHBondContact O-N 3.23Å; A304-H312 HydrophobicContact CB-CB 4.21Å; A304-H312 VanDerWaalsContact CB-CD2 3.49Å; A304-H312 WeakPolarHBondContact CB-CD2 3.29Å; A304-F319 HydrophobicContact CB-CE2 3.77Å; A304-F319 HydrophobicContact CB-CZ 3.95Å; A304-V321 HydrophobicContact CB-CG2 3.56Å; A304-I338 HydrophobicContact CB-CG2 3.95Å
305M97Very high96.3Very high1 Ų129.8 Ų29.81%0.00519%0.186CC..THydrogen-bonded Turntrans-54.8118.6176.7-179.4-177.269.600109.5F83 L105 S301 V302 P340F83-M305 WeakPolarHBondContact CA-O 3.43Å; F83-M305 HydrophobicContact CD2-CE 4.22Å; F83-M305 HydrophobicContact CE2-CE 3.57Å; F83-M305 HydrophobicContact CZ-CE 3.96Å; F83-M305 PolarHBondContact N-O 2.98Å; L105-M305 HydrophobicContact CD2-CE 3.91Å; S301-M305 WeakPolarHBondContact CB-SD 3.28Å; V302-M305 WeakPolarHBondContact O-CB 3.44Å; V302-M305 PolarHBondContact O-N 3.48Å; M305-P340 HydrophobicContact CG-CG 4.24Å; M305-P340 HydrophobicContact SD-CB 4.4Å; M305-P340 HydrophobicContact SD-CG 4.38Å
306G94.7Very high95.9Very high55 Ų5534.6 Ų34.657%0.56721%0.212SC*.THydrogen-bonded Turntrans83.77.3-178.300000116.6A304A304-G306 PolarHBondContact O-N 3Å
307L93.6Very high95.7Very high92 Ų9235.1 Ų35.148%0.48222%0.215SC..THydrogen-bonded Turntrans-105.7-19.8175.9-64.6-173.6000114.9A304A304-L307 PolarHBondContact O-N 3.23Å
308G90.6Very high95.6Very high45 Ų4537.7 Ų37.746%0.46423%0.23SC..  trans95.1-165.1-175.500000113
309E95.8Very high95.6Very high136 Ų13637.6 Ų37.664%0.63623%0.23SC*.SBendtrans-74.2152.3177.9-64.1-175.6161.900111.7V321 G323E309-V321 WeakPolarHBondContact CB-O 3.49Å; E309-G323 VanDerWaalsContact OE1-CA 3.23Å; E309-G323 WeakPolarHBondContact OE1-CA 3.31Å; E309-G323 PolarHBondContact OE1-N 3.43Å
310G96.3Very high95.5Very high28 Ų2839.4 Ų39.429%0.28924%0.24SC..EExtended strand (participates in β ladder)trans146.8-170.5179.400000114.2H312 V320 V321G310-H312 PolarHBondContact O-CD2 2.87Å; G310-V320 CarbonylContact O-C 3.44Å; G310-V320 WeakPolarHBondContact O-CA 3.05Å; G310-V321 PolarHBondContact N-O 3.36Å; G310-V321 PolarHBondContact O-N 3.34Å
311T97.1Very high95.5Very high98 Ų9838.8 Ų38.860%0.60124%0.237SC*.EExtended strand (participates in β ladder)trans-97.1132.8175.5-58.10000110T318 F319T311-T318 HydrophobicContact CG2-CG2 3.48Å; T311-T318 VanDerWaalsContact CG2-CG2 3.48Å; T311-F319 WeakPolarHBondContact CA-O 3.38Å
312H96.5Very high95.4Very high31 Ų3143.5 Ų43.514%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-139.2175.1-176.6-58.3-86.1000110.3A304 G310 T318 F319A304-H312 HydrophobicContact CB-CB 4.21Å; A304-H312 VanDerWaalsContact CB-CD2 3.49Å; A304-H312 WeakPolarHBondContact CB-CD2 3.29Å; G310-H312 PolarHBondContact O-CD2 2.87Å; H312-T318 WeakPolarHBondContact O-CA 3.34Å; H312-F319 HydrophobicContact CB-CD1 4.3Å; H312-F319 HydrophobicContact CB-CD2 4.24Å; H312-F319 HydrophobicContact CB-CE1 3.75Å; H312-F319 HydrophobicContact CB-CE2 3.68Å; H312-F319 HydrophobicContact CB-CZ 3.4Å; H312-F319 VanDerWaalsContact CB-CZ 3.4Å; H312-F319 PolarHBondContact N-O 3.47Å; H312-F319 PolarHBondContact O-N 3.02Å
313Q94.9Very high95.2Very high101 Ų10145.5 Ų45.547%0.47228%0.283SS..EExtended strand (participates in β ladder)trans-130.8147.5178.1-69.3-178.5-3800111.2N86 T303 I317 F319N86-Q313 PolarHBondContact ND2-O 2.67Å; T303-Q313 WeakPolarHBondContact CB-O 3.39Å; T303-Q313 WeakPolarHBondContact CG2-O 3.45Å; T303-Q313 PolarHBondContact OG1-O 3.45Å; Q313-I317 CarbonylContact C-O 3.54Å; Q313-I317 VanDerWaalsContact CA-O 3.25Å; Q313-I317 WeakPolarHBondContact CA-O 3.4Å; Q313-F319 VanDerWaalsContact C-CE1 3.43Å
314L94.2Very high95Very high5 Ų551 Ų513%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-135.1120.7167.8176.669.3000108.3N80 N86 I118 V302 T303 D316 I317 F319 I335N80-L314 HydrophobicContact CB-CD1 3.83Å; N80-L314 HydrophobicContact CB-CD2 4.26Å; N86-L314 WeakPolarHBondContact ND2-CA 3.39Å; I118-L314 HydrophobicContact CD1-CD2 4.13Å; I118-L314 HydrophobicContact CD1-CG 4.09Å; V302-L314 HydrophobicContact CG1-CD2 3.81Å; T303-L314 HydrophobicContact CG2-CD1 4.15Å; L314-D316 PolarHBondContact O-N 3.39Å; L314-I317 PolarHBondContact N-O 2.97Å; L314-I317 WeakPolarHBondContact O-CB 3.07Å; L314-I317 PolarHBondContact O-N 3.4Å; L314-F319 HydrophobicContact CB-CD1 4.33Å; L314-F319 HydrophobicContact CB-CE1 3.91Å; L314-I335 HydrophobicContact CB-CD1 4Å; L314-I335 HydrophobicContact CD2-CD1 3.96Å; L314-I335 HydrophobicContact CD2-CG1 3.87Å
315G91.8Very high94.9Very high6 Ų656.1 Ų56.16%0.06232%0.322CS..THydrogen-bonded Turntrans52.1-126.6-159.200000109.8N86 S88N86-G315 PolarHBondContact ND2-N 3.07Å; N86-G315 VanDerWaalsContact ND2-N 3.13Å; N86-G315 PolarHBondContact ND2-O 2.95Å; N86-G315 PolarHBondContact OD1-N 2.98Å; S88-G315 WeakPolarHBondContact O-CA 3.28Å
316D90.8Very high94.9Very high101 Ų10156.1 Ų56.154%0.5432%0.322SS..THydrogen-bonded Turntrans-98.38.3175.9-59.4-32.6000113.2H89 L314H89-D316 IonicContact CE1-OD1 2.78Å; H89-D316 IonicContact ND1-OD1 2.59Å; L314-D316 PolarHBondContact O-N 3.39Å
317I94.3Very high95Very high15 Ų1554.5 Ų54.58%0.07730%0.301CS..EExtended strand (participates in β ladder)trans-90.8120.2-178.1-55151.9000109.4I118 A162 Q164 Q313 L314 V328 I335I118-I317 HydrophobicContact CD1-CD1 3.94Å; A162-I317 WeakPolarHBondContact O-CD1 3.41Å; Q164-I317 HydrophobicContact CG-CD1 4.26Å; Q164-I317 HydrophobicContact CG-CG1 3.97Å; Q313-I317 CarbonylContact C-O 3.54Å; Q313-I317 VanDerWaalsContact CA-O 3.25Å; Q313-I317 WeakPolarHBondContact CA-O 3.4Å; L314-I317 PolarHBondContact N-O 2.97Å; L314-I317 WeakPolarHBondContact O-CB 3.07Å; L314-I317 PolarHBondContact O-N 3.4Å; I317-V328 HydrophobicContact CG2-CB 4.41Å; I317-V328 HydrophobicContact CG2-CG1 3.82Å; I317-V328 HydrophobicContact CG2-CG2 3.93Å; I317-I335 HydrophobicContact CB-CD1 4.12Å; I317-I335 HydrophobicContact CD1-CD1 4.3Å; I317-I335 HydrophobicContact CG2-CD1 3.74Å
318T96.5Very high95.1Very high53 Ų5351.4 Ų51.433%0.32529%0.286SS..EExtended strand (participates in β ladder)trans-82.5137.2170.6-540000110.3T311 H312 S329T311-T318 HydrophobicContact CG2-CG2 3.48Å; T311-T318 VanDerWaalsContact CG2-CG2 3.48Å; H312-T318 WeakPolarHBondContact O-CA 3.34Å; T318-S329 WeakPolarHBondContact CG2-OG 3.21Å; T318-S329 PolarHBondContact O-N 3.42Å; T318-S329 PolarHBondContact O-OG 3.49Å
319F97.4Very high95.3Very high0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-142.6159.9178.370-92.4000112.3V302 T303 A304 T311 H312 Q313 L314 V321 A326 T327 I335V302-F319 HydrophobicContact CB-CZ 4.06Å; V302-F319 HydrophobicContact CG2-CE1 4.4Å; V302-F319 HydrophobicContact CG2-CE2 3.81Å; V302-F319 HydrophobicContact CG2-CZ 3.52Å; T303-F319 WeakPolarHBondContact OG1-CZ 3.38Å; A304-F319 HydrophobicContact CB-CE2 3.77Å; A304-F319 HydrophobicContact CB-CZ 3.95Å; T311-F319 WeakPolarHBondContact CA-O 3.38Å; H312-F319 HydrophobicContact CB-CD1 4.3Å; H312-F319 HydrophobicContact CB-CD2 4.24Å; H312-F319 HydrophobicContact CB-CE1 3.75Å; H312-F319 HydrophobicContact CB-CE2 3.68Å; H312-F319 HydrophobicContact CB-CZ 3.4Å; H312-F319 VanDerWaalsContact CB-CZ 3.4Å; H312-F319 PolarHBondContact N-O 3.47Å; H312-F319 PolarHBondContact O-N 3.02Å; Q313-F319 VanDerWaalsContact C-CE1 3.43Å; L314-F319 HydrophobicContact CB-CD1 4.33Å; L314-F319 HydrophobicContact CB-CE1 3.91Å; F319-V321 HydrophobicContact CD2-CG2 4.13Å; F319-V321 HydrophobicContact CE2-CG2 3.78Å; F319-A326 HydrophobicContact CD2-CB 3.94Å; F319-A326 HydrophobicContact CE2-CB 4.01Å; F319-T327 CarbonylContact C-O 3.47Å; F319-T327 VanDerWaalsContact CA-O 3.3Å; F319-T327 WeakPolarHBondContact CA-O 3.4Å; F319-T327 VanDerWaalsContact CB-O 3.26Å; F319-T327 WeakPolarHBondContact CB-O 3.43Å; F319-I335 HydrophobicContact CB-CD1 4.46Å; F319-I335 HydrophobicContact CB-CG2 3.44Å; F319-I335 VanDerWaalsContact CB-CG2 3.44Å; F319-I335 HydrophobicContact CD1-CD1 4.05Å; F319-I335 HydrophobicContact CD1-CG2 4.14Å; F319-I335 HydrophobicContact CD2-CG2 3.88Å; F319-I335 HydrophobicContact CG-CD1 4.47Å; F319-I335 HydrophobicContact CG-CG2 3.59Å
320V97.7Very high95.1Very high39 Ų3952.7 Ų52.724%0.23629%0.289CS..EExtended strand (participates in β ladder)trans-116.7135.4179.9-176.60000109.6G310 A326 T327G310-V320 CarbonylContact O-C 3.44Å; G310-V320 WeakPolarHBondContact O-CA 3.05Å; V320-A326 WeakPolarHBondContact O-CA 3.47Å; V320-T327 PolarHBondContact N-O 3.43Å; V320-T327 PolarHBondContact O-N 3.23Å
321V97.3Very high94.9Very high1 Ų154.2 Ų54.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-100.4119.5170.8176.70000109.5A304 E309 G310 F319 R325 A326 I338A304-V321 HydrophobicContact CB-CG2 3.56Å; E309-V321 WeakPolarHBondContact CB-O 3.49Å; G310-V321 PolarHBondContact N-O 3.36Å; G310-V321 PolarHBondContact O-N 3.34Å; F319-V321 HydrophobicContact CD2-CG2 4.13Å; F319-V321 HydrophobicContact CE2-CG2 3.78Å; V321-R325 WeakPolarHBondContact CA-O 3.34Å; V321-A326 HydrophobicContact CG2-CB 4.07Å; V321-I338 HydrophobicContact CG1-CD1 3.56Å; V321-I338 HydrophobicContact CG2-CG2 4.24Å
322N95.2Very high94.6Very high99 Ų9956.7 Ų56.753%0.52930%0.303SS..EExtended strand (participates in β ladder)trans-126.1114.1172.3-64.9-43.9000108.6R324 R325N322-R324 PolarHBondContact O-N 2.84Å; N322-R325 PolarHBondContact N-O 3.08Å; N322-R325 PolarHBondContact O-N 3Å; N322-R325 VanDerWaalsContact O-N 3.08Å
323G93.7Very high94.5Very high42 Ų4258 Ų5843%0.43331%0.313SS..THydrogen-bonded Turntrans59.4-117.9-170.300000111.8E309 I338E309-G323 VanDerWaalsContact OE1-CA 3.23Å; E309-G323 WeakPolarHBondContact OE1-CA 3.31Å; E309-G323 PolarHBondContact OE1-N 3.43Å; G323-I338 WeakPolarHBondContact O-CD1 3.48Å
324R92.2Very high94.6Very high121 Ų12155 Ų5546%0.45730%0.3SS..THydrogen-bonded Turntrans-96.82.7177-69.1-172.6170.4-165.4-7.4114V277 N322V277-R324 HydrophobicContact CG2-CB 3.79Å; N322-R324 PolarHBondContact O-N 2.84Å
325R95.2Very high94.6Very high109 Ų10954.9 Ų54.941%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-104.1123.6-174.1-58.7-176.463.282.71.9110.1V277 V321 N322 L334V277-R325 HydrophobicContact CG1-CB 4.45Å; V277-R325 HydrophobicContact CG1-CG 3.79Å; V277-R325 HydrophobicContact CG2-CG 4.24Å; V321-R325 WeakPolarHBondContact CA-O 3.34Å; N322-R325 PolarHBondContact N-O 3.08Å; N322-R325 PolarHBondContact O-N 3Å; N322-R325 VanDerWaalsContact O-N 3.08Å; R325-L334 HydrophobicContact CB-CD2 4.45Å
326A96.9Very high94.8Very high1 Ų155.1 Ų55.11%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-100.7121.2165.400000108.8V302 F319 V320 V321 L334 I335 I338V302-A326 HydrophobicContact CG2-CB 4.48Å; F319-A326 HydrophobicContact CD2-CB 3.94Å; F319-A326 HydrophobicContact CE2-CB 4.01Å; V320-A326 WeakPolarHBondContact O-CA 3.47Å; V321-A326 HydrophobicContact CG2-CB 4.07Å; A326-L334 VanDerWaalsContact O-CA 3.32Å; A326-L334 WeakPolarHBondContact O-CA 3.17Å; A326-L334 WeakPolarHBondContact O-CD2 3.44Å; A326-I335 HydrophobicContact CB-CG2 4.08Å; A326-I335 PolarHBondContact O-N 3.13Å; A326-I338 HydrophobicContact CB-CG2 4.19Å
327T97.3Very high95Very high21 Ų2150.3 Ų50.313%0.12928%0.276CS..EExtended strand (participates in β ladder)trans-128.8137.1-179.949.90000111.4F319 V320 S329 T333 L334F319-T327 CarbonylContact C-O 3.47Å; F319-T327 VanDerWaalsContact CA-O 3.3Å; F319-T327 WeakPolarHBondContact CA-O 3.4Å; F319-T327 VanDerWaalsContact CB-O 3.26Å; F319-T327 WeakPolarHBondContact CB-O 3.43Å; V320-T327 PolarHBondContact N-O 3.43Å; V320-T327 PolarHBondContact O-N 3.23Å; T327-S329 PolarHBondContact O-N 2.74Å; T327-T333 CarbonylContact C-O 3.57Å; T327-T333 WeakPolarHBondContact CA-O 3.42Å; T327-L334 HydrophobicContact CG2-CD2 4.02Å
328V96.1Very high95.1Very high27 Ų2750.9 Ų50.916%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-53.2131.6172.6178.40000108.8A162 I317 D330 T331 T333 I335A162-V328 HydrophobicContact CB-CG2 4.05Å; I317-V328 HydrophobicContact CG2-CB 4.41Å; I317-V328 HydrophobicContact CG2-CG1 3.82Å; I317-V328 HydrophobicContact CG2-CG2 3.93Å; V328-D330 PolarHBondContact O-N 2.85Å; V328-T331 WeakPolarHBondContact CB-OG1 3.48Å; V328-T331 HydrophobicContact CG1-CG2 4.44Å; V328-T331 PolarHBondContact O-N 3.5Å; V328-T331 PolarHBondContact O-OG1 3.43Å; V328-T333 HydrophobicContact CG2-CG2 4.47Å; V328-T333 PolarHBondContact N-O 3.32Å; V328-I335 HydrophobicContact CG2-CB 4Å; V328-I335 HydrophobicContact CG2-CD1 4.17Å; V328-I335 HydrophobicContact CG2-CG2 4.25Å
329S93.6Very high95.1Very high31 Ų3148.6 Ų48.622%0.21727%0.265CS..THydrogen-bonded Turntrans-50.3138.5-175.9-69.40000111.5T318 T327 T331T318-S329 WeakPolarHBondContact CG2-OG 3.21Å; T318-S329 PolarHBondContact O-N 3.42Å; T318-S329 PolarHBondContact O-OG 3.49Å; T327-S329 PolarHBondContact O-N 2.74Å; S329-T331 PolarHBondContact O-N 2.98Å
330D91.4Very high95Very high177 Ų17750 Ų5095%0.94727%0.274SS*.THydrogen-bonded Turntrans62.916.5-179.7-48.3-50.4000115.3V328V328-D330 PolarHBondContact O-N 2.85Å
331T92.8Very high95.1Very high60 Ų6048.2 Ų48.237%0.36826%0.263SS..SBendtrans-135.5172.6175.980.80000112.2V328 S329 T333V328-T331 WeakPolarHBondContact CB-OG1 3.48Å; V328-T331 HydrophobicContact CG1-CG2 4.44Å; V328-T331 PolarHBondContact O-N 3.5Å; V328-T331 PolarHBondContact O-OG1 3.43Å; S329-T331 PolarHBondContact O-N 2.98Å; T331-T333 WeakPolarHBondContact OG1-CB 3.4Å; T331-T333 PolarHBondContact OG1-N 2.97Å; T331-T333 VanDerWaalsContact OG1-N 3.11Å
332N91.8Very high95Very high151 Ų15149.2 Ų49.281%0.80727%0.269SS*.  trans-98.68.1168.5-70.7-49.3000112.9L334N332-L334 PolarHBondContact O-N 2.85Å
333T94.7Very high95.1Very high57 Ų5746.3 Ų46.335%0.3525%0.253SS..  trans-74.6120.1-177.1-58.80000109.5T327 V328 T331T327-T333 CarbonylContact C-O 3.57Å; T327-T333 WeakPolarHBondContact CA-O 3.42Å; V328-T333 HydrophobicContact CG2-CG2 4.47Å; V328-T333 PolarHBondContact N-O 3.32Å; T331-T333 WeakPolarHBondContact OG1-CB 3.4Å; T331-T333 PolarHBondContact OG1-N 2.97Å; T331-T333 VanDerWaalsContact OG1-N 3.11Å
334L96Very high95.3Very high40 Ų4044.3 Ų44.321%0.20923%0.232CC..BIsolated β-bridgetrans-65.5146.9174.1-69.8173.5000111.1V277 R325 A326 T327 N332V277-L334 HydrophobicContact CG1-CD1 4.18Å; V277-L334 HydrophobicContact CG1-CD2 4.03Å; R325-L334 HydrophobicContact CB-CD2 4.45Å; A326-L334 VanDerWaalsContact O-CA 3.32Å; A326-L334 WeakPolarHBondContact O-CA 3.17Å; A326-L334 WeakPolarHBondContact O-CD2 3.44Å; T327-L334 HydrophobicContact CG2-CD2 4.02Å; N332-L334 PolarHBondContact O-N 2.85Å
335I94.7Very high95.6Very high2 Ų238.6 Ų38.61%0.0121%0.211CC..  trans-132.988.4177.2-177.6167.9000110.2A162 V302 L314 I317 F319 A326 V328A162-I335 HydrophobicContact CB-CB 3.78Å; A162-I335 HydrophobicContact CB-CD1 3.9Å; A162-I335 HydrophobicContact CB-CG1 3.63Å; V302-I335 VanDerWaalsContact CG1-O 3.32Å; V302-I335 WeakPolarHBondContact CG1-O 3.32Å; L314-I335 HydrophobicContact CB-CD1 4Å; L314-I335 HydrophobicContact CD2-CD1 3.96Å; L314-I335 HydrophobicContact CD2-CG1 3.87Å; I317-I335 HydrophobicContact CB-CD1 4.12Å; I317-I335 HydrophobicContact CD1-CD1 4.3Å; I317-I335 HydrophobicContact CG2-CD1 3.74Å; F319-I335 HydrophobicContact CB-CD1 4.46Å; F319-I335 HydrophobicContact CB-CG2 3.44Å; F319-I335 VanDerWaalsContact CB-CG2 3.44Å; F319-I335 HydrophobicContact CD1-CD1 4.05Å; F319-I335 HydrophobicContact CD1-CG2 4.14Å; F319-I335 HydrophobicContact CD2-CG2 3.88Å; F319-I335 HydrophobicContact CG-CD1 4.47Å; F319-I335 HydrophobicContact CG-CG2 3.59Å; A326-I335 HydrophobicContact CB-CG2 4.08Å; A326-I335 PolarHBondContact O-N 3.13Å; V328-I335 HydrophobicContact CG2-CB 4Å; V328-I335 HydrophobicContact CG2-CD1 4.17Å; V328-I335 HydrophobicContact CG2-CG2 4.25Å
336G94.6Very high95.7Very high10 Ų1036.8 Ų36.810%0.10320%0.204CC..SBendtrans55.6-176-17900000115H278 D300H278-G336 PolarHBondContact CE1-O 3.48Å; H278-G336 PolarHBondContact NE2-O 3.2Å; D300-G336 CarbonylContact O-C 3.42Å; D300-G336 VanDerWaalsContact O-CA 3.32Å; D300-G336 WeakPolarHBondContact O-CA 3.26Å; D300-G336 WeakPolarHBondContact OD2-CA 3.39Å
337G95.1Very high95.7Very high1 Ų137.3 Ų37.31%0.0121%0.208CC..BIsolated β-bridgetrans-92.2156.7-177.100000114.2T299 D300 S301 V302T299-G337 WeakPolarHBondContact O-CA 3.41Å; D300-G337 PolarHBondContact O-N 3.05Å; S301-G337 CarbonylContact C-O 2.85Å; S301-G337 VanDerWaalsContact CA-O 3.24Å; S301-G337 WeakPolarHBondContact CA-O 3.47Å; V302-G337 PolarHBondContact N-O 3.44Å
338I96.2Very high95.8Very high26 Ų2636.3 Ų36.313%0.13320%0.202CC..  trans-121.84.1166.257.3154.2000112.6V302 A304 V321 G323 A326 P340V302-I338 HydrophobicContact CG2-CG2 3.94Å; A304-I338 HydrophobicContact CB-CG2 3.95Å; V321-I338 HydrophobicContact CG1-CD1 3.56Å; V321-I338 HydrophobicContact CG2-CG2 4.24Å; G323-I338 WeakPolarHBondContact O-CD1 3.48Å; A326-I338 HydrophobicContact CB-CG2 4.19Å; I338-P340 WeakPolarHBondContact O-CD 3.25Å
339T96.6Very high95.8Very high6 Ų637 Ų374%0.03720%0.204CC..SBendtrans-89.2120.2-178.5-59.60000109.5D275 T299 D343D275-T339 HydrophobicContact CB-CG2 4.17Å; D275-T339 VanDerWaalsContact CB-OG1 3.29Å; D275-T339 WeakPolarHBondContact CB-OG1 3.35Å; T299-T339 WeakPolarHBondContact CG2-O 3.4Å; T339-D343 HydrophobicContact CG2-CB 3.45Å; T339-D343 VanDerWaalsContact CG2-CB 3.45Å
340P97.1Very high96Very high30 Ų3042.4 Ų42.420%0.19522%0.223CC..  trans-65.4156.4178.3-22.935.5000113.2M305 I338 N342 D343 C344M305-P340 HydrophobicContact CG-CG 4.24Å; M305-P340 HydrophobicContact SD-CB 4.4Å; M305-P340 HydrophobicContact SD-CG 4.38Å; I338-P340 WeakPolarHBondContact O-CD 3.25Å; P340-N342 VanDerWaalsContact C-N 3.32Å; P340-N342 VanDerWaalsContact CB-OD1 3.29Å; P340-N342 WeakPolarHBondContact CB-OD1 3.17Å; P340-N342 PolarHBondContact O-N 2.96Å; P340-D343 WeakPolarHBondContact O-CA 3.45Å; P340-D343 WeakPolarHBondContact O-CB 3.21Å; P340-D343 PolarHBondContact O-N 2.91Å; P340-C344 PolarHBondContact O-N 3.02Å
341M98.4Very high96.3Very high0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-55.1-41-174.2-176.860.876.100114.1F74 D76 V110 L297 T299 D343 C344 I345 A363F74-M341 HydrophobicContact CB-CG 3.9Å; F74-M341 HydrophobicContact CD2-CB 4.32Å; F74-M341 HydrophobicContact CD2-CG 3.71Å; F74-M341 HydrophobicContact CG-CG 4.07Å; D76-M341 HydrophobicContact CB-CE 3.69Å; D76-M341 VanDerWaalsContact CG-CE 3.49Å; V110-M341 HydrophobicContact CG2-CB 3.65Å; V110-M341 HydrophobicContact CG2-CG 4.09Å; L297-M341 HydrophobicContact CB-SD 3.75Å; T299-M341 HydrophobicContact CG2-CB 4.01Å; T299-M341 HydrophobicContact CG2-CE 4.15Å; M341-D343 VanDerWaalsContact C-N 3.28Å; M341-D343 PolarHBondContact O-N 3.48Å; M341-C344 WeakPolarHBondContact O-CB 3.41Å; M341-C344 PolarHBondContact O-N 2.99Å; M341-I345 HydrophobicContact CG-CD1 4.37Å; M341-I345 WeakPolarHBondContact O-CG1 3.18Å; M341-I345 PolarHBondContact O-N 3.28Å; M341-A363 HydrophobicContact CG-CB 4.38Å; M341-A363 HydrophobicContact SD-CB 4.06Å
342N96.5Very high96.4Very high23 Ų2332.2 Ų32.212%0.12317%0.169CC..Hα-helixtrans-61.9-36.2176.762.6-54.5000112.4F74 S108 P340 I345 R346 I397F74-N342 HydrophobicContact CE2-CB 4.48Å; S108-N342 WeakPolarHBondContact CB-OD1 3.46Å; P340-N342 VanDerWaalsContact C-N 3.32Å; P340-N342 VanDerWaalsContact CB-OD1 3.29Å; P340-N342 WeakPolarHBondContact CB-OD1 3.17Å; P340-N342 PolarHBondContact O-N 2.96Å; N342-I345 PolarHBondContact O-N 2.95Å; N342-R346 PolarHBondContact ND2-NH1 2.89Å; N342-R346 PolarHBondContact O-N 2.87Å; N342-R346 PolarHBondContact O-NH1 2.77Å; N342-I397 HydrophobicContact CB-CD1 3.54Å; N342-I397 HydrophobicContact CB-CG1 4.07Å
343D96.7Very high96.6Very high37 Ų3731.9 Ų31.920%0.19817%0.167CC..Hα-helixtrans-71.1-40175.1-70.820.1000110.4T339 P340 M341 I345 R346 S347T339-D343 HydrophobicContact CG2-CB 3.45Å; T339-D343 VanDerWaalsContact CG2-CB 3.45Å; P340-D343 WeakPolarHBondContact O-CA 3.45Å; P340-D343 WeakPolarHBondContact O-CB 3.21Å; P340-D343 PolarHBondContact O-N 2.91Å; M341-D343 VanDerWaalsContact C-N 3.28Å; M341-D343 PolarHBondContact O-N 3.48Å; D343-I345 VanDerWaalsContact C-N 3.29Å; D343-I345 PolarHBondContact O-N 3.41Å; D343-R346 PolarHBondContact O-N 2.92Å; D343-R346 IonicContact OD1-CZ 3.66Å; D343-R346 IonicContact OD1-NH1 3.05Å; D343-R346 PolarHBondContact OD1-NH1 2.9Å; D343-R346 IonicContact OD1-NH2 3.46Å; D343-R346 PolarHBondContact OD1-NH2 3.22Å; D343-R346 IonicContact OD2-NH2 3.77Å; D343-S347 WeakPolarHBondContact O-CB 3.43Å; D343-S347 PolarHBondContact O-N 3.09Å; D343-S347 PolarHBondContact O-OG 3.25Å
344C97.9Very high96.7Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-57.4-40.6172.8-68.30000112.3A274 L297 P340 M341 S347 L348A274-C344 HydrophobicContact CB-CB 4.24Å; A274-C344 WeakPolarHBondContact O-CA 3.49Å; L297-C344 HydrophobicContact CD2-CB 4.48Å; P340-C344 PolarHBondContact O-N 3.02Å; M341-C344 WeakPolarHBondContact O-CB 3.41Å; M341-C344 PolarHBondContact O-N 2.99Å; C344-S347 PolarHBondContact O-N 2.92Å; C344-L348 WeakPolarHBondContact O-CB 3.44Å; C344-L348 PolarHBondContact O-N 2.83Å
345I98.2Very high96.7Very high2 Ų230.1 Ų30.11%0.0116%0.16CC..Hα-helixtrans-60.8-50.3175.2-70.8164.5000110.6F74 L297 M341 N342 D343 S347 L348 I349 A359 L360 A363F74-I345 HydrophobicContact CD1-CD1 4.14Å; F74-I345 HydrophobicContact CD2-CD1 3.82Å; F74-I345 HydrophobicContact CE1-CD1 3.74Å; F74-I345 HydrophobicContact CE2-CD1 3.36Å; F74-I345 HydrophobicContact CG-CD1 4.2Å; F74-I345 HydrophobicContact CZ-CD1 3.32Å; L297-I345 HydrophobicContact CD1-CB 4.34Å; L297-I345 HydrophobicContact CD1-CG1 3.62Å; M341-I345 HydrophobicContact CG-CD1 4.37Å; M341-I345 WeakPolarHBondContact O-CG1 3.18Å; M341-I345 PolarHBondContact O-N 3.28Å; N342-I345 PolarHBondContact O-N 2.95Å; D343-I345 VanDerWaalsContact C-N 3.29Å; D343-I345 PolarHBondContact O-N 3.41Å; I345-S347 VanDerWaalsContact C-N 3.34Å; I345-S347 PolarHBondContact O-N 2.84Å; I345-L348 PolarHBondContact O-N 3.19Å; I345-I349 HydrophobicContact CG2-CD1 4.05Å; I345-I349 WeakPolarHBondContact O-CG1 3.32Å; I345-I349 PolarHBondContact O-N 3.22Å; I345-A359 HydrophobicContact CG2-CB 3.9Å; I345-L360 HydrophobicContact CD1-CD2 4.3Å; I345-A363 HydrophobicContact CD1-CB 3.66Å; I345-A363 HydrophobicContact CG1-CB 3.87Å
346R97.7Very high96.8Very high71 Ų7130.5 Ų30.527%0.26817%0.165SC..Hα-helixtrans-64.8-39.2-179.9-66.4-166.3-54.1-73.13.6111.9N342 D343 I349 K350 E394 M395N342-R346 PolarHBondContact ND2-NH1 2.89Å; N342-R346 PolarHBondContact O-N 2.87Å; N342-R346 PolarHBondContact O-NH1 2.77Å; D343-R346 PolarHBondContact O-N 2.92Å; D343-R346 IonicContact OD1-CZ 3.66Å; D343-R346 IonicContact OD1-NH1 3.05Å; D343-R346 PolarHBondContact OD1-NH1 2.9Å; D343-R346 IonicContact OD1-NH2 3.46Å; D343-R346 PolarHBondContact OD1-NH2 3.22Å; D343-R346 IonicContact OD2-NH2 3.77Å; R346-I349 PolarHBondContact O-N 2.94Å; R346-K350 WeakPolarHBondContact O-CB 3.27Å; R346-K350 PolarHBondContact O-N 2.91Å; R346-E394 WeakPolarHBondContact CD-O 3.41Å; R346-M395 HydrophobicContact CG-CB 4.04Å
347S97.1Very high96.9Very high12 Ų1232 Ų328%0.08417%0.169CC..Hα-helixtrans-63.7-40.2173.6-82.50000112.4A274 D343 C344 I345 K350 A351A274-S347 WeakPolarHBondContact O-CB 3.14Å; D343-S347 WeakPolarHBondContact O-CB 3.43Å; D343-S347 PolarHBondContact O-N 3.09Å; D343-S347 PolarHBondContact O-OG 3.25Å; C344-S347 PolarHBondContact O-N 2.92Å; I345-S347 VanDerWaalsContact C-N 3.34Å; I345-S347 PolarHBondContact O-N 2.84Å; S347-K350 PolarHBondContact O-N 2.73Å; S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 2.85Å
348L97.9Very high97Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-63.6-46.4175-178.968.6000111.7A274 M295 L297 C344 I345 K350 A351 T352 A359 C362A274-L348 HydrophobicContact CB-CB 4.27Å; M295-L348 HydrophobicContact CE-CD1 4.46Å; M295-L348 HydrophobicContact SD-CD1 3.71Å; M295-L348 HydrophobicContact SD-CD2 4.03Å; L297-L348 HydrophobicContact CD1-CB 4.38Å; L297-L348 HydrophobicContact CD1-CD2 3.91Å; L297-L348 HydrophobicContact CD2-CB 4.31Å; L297-L348 HydrophobicContact CD2-CD2 4.04Å; L297-L348 HydrophobicContact CG-CD2 4.07Å; C344-L348 WeakPolarHBondContact O-CB 3.44Å; C344-L348 PolarHBondContact O-N 2.83Å; I345-L348 PolarHBondContact O-N 3.19Å; L348-K350 VanDerWaalsContact C-N 3.32Å; L348-K350 PolarHBondContact O-N 3.31Å; L348-A351 PolarHBondContact O-N 3.03Å; L348-T352 HydrophobicContact CD1-CG2 3.63Å; L348-T352 HydrophobicContact CG-CG2 4.35Å; L348-T352 WeakPolarHBondContact O-CB 3.44Å; L348-T352 WeakPolarHBondContact O-CG2 3.35Å; L348-T352 PolarHBondContact O-N 3.02Å; L348-T352 PolarHBondContact O-OG1 3.1Å; L348-A359 HydrophobicContact CD2-CB 4.03Å; L348-C362 HydrophobicContact CD2-CB 4.2Å
349I97.6Very high97Very high40 Ų4033.7 Ų33.721%0.20518%0.177CC..Hα-helixtrans-56.3-49.9176.5-67.8167.3000109.7I345 R346 A351 T352 N353 A359 M395I345-I349 HydrophobicContact CG2-CD1 4.05Å; I345-I349 WeakPolarHBondContact O-CG1 3.32Å; I345-I349 PolarHBondContact O-N 3.22Å; R346-I349 PolarHBondContact O-N 2.94Å; I349-A351 PolarHBondContact O-N 2.65Å; I349-T352 PolarHBondContact O-N 3.38Å; I349-N353 VanDerWaalsContact O-CA 3.23Å; I349-N353 WeakPolarHBondContact O-CA 3.36Å; I349-N353 PolarHBondContact O-N 2.91Å; I349-A359 HydrophobicContact CD1-CB 3.95Å; I349-A359 HydrophobicContact CG1-CB 3.5Å; I349-A359 VanDerWaalsContact CG1-CB 3.5Å; I349-M395 HydrophobicContact CD1-CG 3.86Å
350K97Very high97.1Very high146 Ų14633.4 Ų33.464%0.63518%0.175SC*.Hα-helixtrans-63.4-42.4179.8-176-172.5173.3-159.20112.9E276 R346 S347 L348E276-K350 IonicContact OE1-NZ 2.63Å; R346-K350 WeakPolarHBondContact O-CB 3.27Å; R346-K350 PolarHBondContact O-N 2.91Å; S347-K350 PolarHBondContact O-N 2.73Å; L348-K350 VanDerWaalsContact C-N 3.32Å; L348-K350 PolarHBondContact O-N 3.31Å
351A97Very high97.2Very high10 Ų1032.5 Ų32.58%0.08317%0.169CC..Hα-helixtrans-70.9-33.3-177.300000112.7K281 L284 S347 L348 I349K281-A351 HydrophobicContact CB-CB 3.82Å; L284-A351 HydrophobicContact CB-CB 4.17Å; L284-A351 HydrophobicContact CD1-CB 3.86Å; S347-A351 WeakPolarHBondContact O-CB 3.44Å; S347-A351 PolarHBondContact O-N 2.85Å; L348-A351 PolarHBondContact O-N 3.03Å; I349-A351 PolarHBondContact O-N 2.65Å
352T96.1Very high97.2Very high13 Ų1332.5 Ų32.58%0.0817%0.169CC..Hα-helixtrans-108.5-15.4-170.767.70000114.1A285 H288 L348 I349 C354A285-T352 HydrophobicContact CB-CG2 4.38Å; H288-T352 HydrophobicContact CB-CG2 3.92Å; L348-T352 HydrophobicContact CD1-CG2 3.63Å; L348-T352 HydrophobicContact CG-CG2 4.35Å; L348-T352 WeakPolarHBondContact O-CB 3.44Å; L348-T352 WeakPolarHBondContact O-CG2 3.35Å; L348-T352 PolarHBondContact O-N 3.02Å; L348-T352 PolarHBondContact O-OG1 3.1Å; I349-T352 PolarHBondContact O-N 3.38Å; T352-C354 PolarHBondContact O-N 3.11Å; T352-C354 VanDerWaalsContact OG1-CB 3.31Å; T352-C354 WeakPolarHBondContact OG1-CB 3.42Å; T352-C354 PolarHBondContact OG1-N 3.44Å; T352-C354 PolarHBondContact OG1-SG 2.73Å
353N95.9Very high97.3Very high143 Ų14331.4 Ų31.477%0.76516%0.163SC*.  trans55.526.7-166.6-57.9-50000113.4I349I349-N353 VanDerWaalsContact O-CA 3.23Å; I349-N353 WeakPolarHBondContact O-CA 3.36Å; I349-N353 PolarHBondContact O-N 2.91Å
354C96.1Very high97.4Very high14 Ų1429.7 Ų29.710%0.09515%0.154CC..  trans-73.1162.717475.70000111.6T352 I358T352-C354 PolarHBondContact O-N 3.11Å; T352-C354 VanDerWaalsContact OG1-CB 3.31Å; T352-C354 WeakPolarHBondContact OG1-CB 3.42Å; T352-C354 PolarHBondContact OG1-N 3.44Å; T352-C354 PolarHBondContact OG1-SG 2.73Å; C354-I358 HydrophobicContact CB-CB 4.01Å; C354-I358 HydrophobicContact CB-CD1 3.99Å; C354-I358 HydrophobicContact CB-CG2 3.89Å
355S95.6Very high97.4Very high46 Ų4629.9 Ų29.932%0.32216%0.155SC..  trans-68.6159.6172.773.30000111.5E357 I358 A359S355-E357 PolarHBondContact O-N 3.36Å; S355-E357 PolarHBondContact OG-OE2 3.49Å; S355-E357 VanDerWaalsContact OG-OE2 3.1Å; S355-I358 PolarHBondContact O-N 3.48Å; S355-I358 PolarHBondContact OG-N 3.13Å; S355-A359 PolarHBondContact O-N 2.88Å
356G96.5Very high97.4Very high11 Ų1130.1 Ų30.111%0.11316%0.156CC..Hα-helixtrans-57.1-37.3171.700000112.2I358 A359 L360G356-I358 VanDerWaalsContact C-N 3.31Å; G356-I358 PolarHBondContact O-N 3.44Å; G356-A359 PolarHBondContact O-N 2.92Å; G356-L360 VanDerWaalsContact O-CB 3.32Å; G356-L360 WeakPolarHBondContact O-CB 3.38Å; G356-L360 WeakPolarHBondContact O-CD1 3.42Å; G356-L360 WeakPolarHBondContact O-CG 3.27Å; G356-L360 PolarHBondContact O-N 3.49Å
357E96.9Very high97.4Very high41 Ų4126.7 Ų26.719%0.19214%0.143CC..Hα-helixtrans-56.1-46.3176.1-55.3158.6124.300111.2L28 Y32 F33 S355 L360 N361L28-E357 HydrophobicContact CD1-CB 3.95Å; L28-E357 HydrophobicContact CD1-CG 4Å; Y32-E357 WeakPolarHBondContact CA-OE1 3.34Å; F33-E357 HydrophobicContact CB-CG 4.35Å; F33-E357 HydrophobicContact CD2-CG 3.18Å; F33-E357 HydrophobicContact CE2-CB 4.48Å; F33-E357 HydrophobicContact CE2-CG 3.47Å; F33-E357 VanDerWaalsContact CE2-CG 3.47Å; F33-E357 HydrophobicContact CG-CG 3.81Å; F33-E357 HydrophobicContact CZ-CG 4.31Å; F33-E357 PolarHBondContact N-OE1 3.01Å; S355-E357 PolarHBondContact O-N 3.36Å; S355-E357 PolarHBondContact OG-OE2 3.49Å; S355-E357 VanDerWaalsContact OG-OE2 3.1Å; E357-L360 PolarHBondContact O-N 3.46Å; E357-N361 WeakPolarHBondContact O-CB 3.14Å; E357-N361 PolarHBondContact O-N 3.18Å; E357-N361 PolarHBondContact O-ND2 2.7Å
358I96.9Very high97.5Very high62 Ų6226.1 Ų26.132%0.31814%0.139SC..Hα-helixtrans-61.7-49.5180-69170.7000110.3H288 C354 S355 G356 L360 N361 C362H288-I358 WeakPolarHBondContact NE2-CG2 3.49Å; C354-I358 HydrophobicContact CB-CB 4.01Å; C354-I358 HydrophobicContact CB-CD1 3.99Å; C354-I358 HydrophobicContact CB-CG2 3.89Å; S355-I358 PolarHBondContact O-N 3.48Å; S355-I358 PolarHBondContact OG-N 3.13Å; G356-I358 VanDerWaalsContact C-N 3.31Å; G356-I358 PolarHBondContact O-N 3.44Å; I358-L360 PolarHBondContact O-N 2.87Å; I358-N361 PolarHBondContact O-N 3.19Å; I358-C362 PolarHBondContact O-N 2.92Å; I358-C362 PolarHBondContact O-SG 2.87Å
359A97.9Very high97.4Very high0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-65.1-40.1-178.300000112.2I345 L348 I349 S355 G356 C362 A363I345-A359 HydrophobicContact CG2-CB 3.9Å; L348-A359 HydrophobicContact CD2-CB 4.03Å; I349-A359 HydrophobicContact CD1-CB 3.95Å; I349-A359 HydrophobicContact CG1-CB 3.5Å; I349-A359 VanDerWaalsContact CG1-CB 3.5Å; S355-A359 PolarHBondContact O-N 2.88Å; G356-A359 PolarHBondContact O-N 2.92Å; A359-C362 WeakPolarHBondContact O-CB 3.47Å; A359-C362 PolarHBondContact O-N 3.28Å; A359-A363 PolarHBondContact O-N 2.9Å; A359-A363 VanDerWaalsContact O-N 3.16Å
360L98.4Very high97.4Very high0 Ų026.9 Ų26.90%014%0.142CC..Hα-helixtrans-64.9-38.9175.7-68.4166.6000111.9L28 F33 A71 F74 I345 G356 E357 I358 C362 A363 S364 L391 M395L28-L360 HydrophobicContact CD2-CB 3.53Å; L28-L360 HydrophobicContact CD2-CD1 4.03Å; L28-L360 HydrophobicContact CD2-CG 4.43Å; F33-L360 HydrophobicContact CE1-CD1 4.24Å; F33-L360 HydrophobicContact CZ-CD1 3.6Å; A71-L360 HydrophobicContact CB-CD1 3.93Å; A71-L360 HydrophobicContact CB-CD2 4.07Å; A71-L360 HydrophobicContact CB-CG 4.41Å; F74-L360 HydrophobicContact CE1-CD2 3.6Å; F74-L360 HydrophobicContact CZ-CD2 3.85Å; I345-L360 HydrophobicContact CD1-CD2 4.3Å; G356-L360 VanDerWaalsContact O-CB 3.32Å; G356-L360 WeakPolarHBondContact O-CB 3.38Å; G356-L360 WeakPolarHBondContact O-CD1 3.42Å; G356-L360 WeakPolarHBondContact O-CG 3.27Å; G356-L360 PolarHBondContact O-N 3.49Å; E357-L360 PolarHBondContact O-N 3.46Å; I358-L360 PolarHBondContact O-N 2.87Å; L360-C362 VanDerWaalsContact C-N 3.32Å; L360-C362 PolarHBondContact O-N 3.47Å; L360-A363 PolarHBondContact O-N 3.26Å; L360-S364 WeakPolarHBondContact O-CB 3.31Å; L360-S364 PolarHBondContact O-N 3.28Å; L360-S364 VanDerWaalsContact O-N 3.09Å; L360-S364 PolarHBondContact O-OG 3.18Å; L360-L391 HydrophobicContact CD1-CD1 4.06Å; L360-L391 HydrophobicContact CD2-CD1 3.55Å; L360-L391 HydrophobicContact CG-CD1 4.47Å; L360-M395 HydrophobicContact CD1-SD 4.24Å
361N98.1Very high97.5Very high12 Ų1220.9 Ų20.96%0.06412%0.117CC..Hα-helixtrans-64.1-36.6172.8-77.5-67000111.8R31 E357 I358 A363 S364 L365 H366R31-N361 PolarHBondContact O-ND2 2.99Å; E357-N361 WeakPolarHBondContact O-CB 3.14Å; E357-N361 PolarHBondContact O-N 3.18Å; E357-N361 PolarHBondContact O-ND2 2.7Å; I358-N361 PolarHBondContact O-N 3.19Å; N361-A363 VanDerWaalsContact C-N 3.25Å; N361-A363 PolarHBondContact O-N 3.03Å; N361-S364 PolarHBondContact O-N 3.36Å; N361-L365 HydrophobicContact CB-CB 4.24Å; N361-L365 PolarHBondContact O-N 3.34Å; N361-L365 WeakPolarHBondContact OD1-CB 3.24Å; N361-L365 WeakPolarHBondContact OD1-CD2 3.48Å; N361-H366 PolarHBondContact O-N 3.35Å
362C98.3Very high97.5Very high0 Ų022.4 Ų22.40%013%0.133CC..Hα-helixtrans-65.1-28175.2-630000112.8M295 M296 L297 L348 I358 A359 L360 P367M295-C362 HydrophobicContact CG-CB 4.49Å; M296-C362 WeakPolarHBondContact CA-O 3.48Å; L297-C362 HydrophobicContact CD1-CB 4.43Å; L297-C362 HydrophobicContact CG-CB 4.1Å; L297-C362 PolarHBondContact N-O 3.03Å; L348-C362 HydrophobicContact CD2-CB 4.2Å; I358-C362 PolarHBondContact O-N 2.92Å; I358-C362 PolarHBondContact O-SG 2.87Å; A359-C362 WeakPolarHBondContact O-CB 3.47Å; A359-C362 PolarHBondContact O-N 3.28Å; L360-C362 VanDerWaalsContact C-N 3.32Å; L360-C362 PolarHBondContact O-N 3.47Å; C362-P367 VanDerWaalsContact O-CD 3.31Å; C362-P367 WeakPolarHBondContact O-CD 3.36Å
363A98.7Very high97.5Very high0 Ų022.8 Ų22.80%013%0.134CC..Hα-helixtrans-93-6.2177.100000114.2F74 I75 L297 M341 I345 A359 L360 N361F74-A363 CarbonylContact C-O 3.56Å; F74-A363 VanDerWaalsContact CA-O 3.26Å; F74-A363 WeakPolarHBondContact CA-O 3.27Å; F74-A363 HydrophobicContact CB-CB 4.32Å; F74-A363 HydrophobicContact CD1-CB 4.02Å; F74-A363 HydrophobicContact CG-CB 4.17Å; I75-A363 PolarHBondContact N-O 3.36Å; L297-A363 HydrophobicContact CB-CB 4.47Å; L297-A363 HydrophobicContact CD1-CB 4.32Å; M341-A363 HydrophobicContact CG-CB 4.38Å; M341-A363 HydrophobicContact SD-CB 4.06Å; I345-A363 HydrophobicContact CD1-CB 3.66Å; I345-A363 HydrophobicContact CG1-CB 3.87Å; A359-A363 PolarHBondContact O-N 2.9Å; A359-A363 VanDerWaalsContact O-N 3.16Å; L360-A363 PolarHBondContact O-N 3.26Å; N361-A363 VanDerWaalsContact C-N 3.25Å; N361-A363 PolarHBondContact O-N 3.03Å
364S98.7Very high97.6Very high0 Ų017.9 Ų17.90%011%0.11CC..THydrogen-bonded Turntrans-136.8-70.1-174.161.40000113.2L360 N361 P367 A368L360-S364 WeakPolarHBondContact O-CB 3.31Å; L360-S364 PolarHBondContact O-N 3.28Å; L360-S364 VanDerWaalsContact O-N 3.09Å; L360-S364 PolarHBondContact O-OG 3.18Å; N361-S364 PolarHBondContact O-N 3.36Å; S364-P367 WeakPolarHBondContact O-CD 3.5Å; S364-P367 WeakPolarHBondContact O-CG 3.23Å; S364-A368 WeakPolarHBondContact O-CB 3.36Å; S364-A368 PolarHBondContact O-N 3.21Å; S364-A368 VanDerWaalsContact O-N 3.1Å
365L98.2Very high97.6Very high4 Ų422.5 Ų22.52%0.02113%0.133CC..Hα-helixtrans-62.8-48-176.117758.3000112.5R31 N361 A368 E369 T374 G378 K379R31-L365 HydrophobicContact CG-CD2 3.53Å; N361-L365 HydrophobicContact CB-CB 4.24Å; N361-L365 PolarHBondContact O-N 3.34Å; N361-L365 WeakPolarHBondContact OD1-CB 3.24Å; N361-L365 WeakPolarHBondContact OD1-CD2 3.48Å; L365-A368 WeakPolarHBondContact O-CB 3.26Å; L365-A368 PolarHBondContact O-N 3.18Å; L365-E369 HydrophobicContact CD1-CG 3.91Å; L365-E369 HydrophobicContact CG-CG 4.3Å; L365-E369 WeakPolarHBondContact O-CG 3.41Å; L365-E369 PolarHBondContact O-N 3.23Å; L365-T374 HydrophobicContact CD1-CG2 4.19Å; L365-G378 WeakPolarHBondContact CA-O 3.19Å; L365-K379 HydrophobicContact CD1-CD 4.1Å; L365-K379 HydrophobicContact CD1-CG 3.74Å
366H97.9Very high97.6Very high7 Ų726.7 Ų26.73%0.03214%0.142CC..Hα-helixtrans-63.5-48.3-177-61.4171.8000112.7R31 Y269 P292 M295 M296 N361 A368 E369 F370R31-H366 PolarHBondContact NH1-NE2 3.11Å; R31-H366 VanDerWaalsContact NH1-NE2 3.11Å; Y269-H366 HydrophobicContact CD1-CB 4.4Å; Y269-H366 HydrophobicContact CE1-CB 4.41Å; P292-H366 PolarHBondContact O-CE1 3.35Å; M295-H366 WeakPolarHBondContact O-CB 3.41Å; M295-H366 PolarHBondContact O-ND1 2.95Å; M296-H366 HydrophobicContact CG-CB 3.91Å; N361-H366 PolarHBondContact O-N 3.35Å; H366-A368 VanDerWaalsContact C-N 3.29Å; H366-A368 PolarHBondContact O-N 3.33Å; H366-E369 IonicContact CD2-OE2 3.28Å; H366-E369 PolarHBondContact O-N 2.99Å; H366-E369 VanDerWaalsContact O-N 3.15Å; H366-F370 PolarHBondContact O-N 2.84Å
367P98.6Very high97.7Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-61.4-34.4172.118.7-29.2000113.3I75 V77 M296 C362 S364 F370 L371I75-P367 HydrophobicContact CB-CB 3.98Å; I75-P367 HydrophobicContact CB-CG 3.89Å; I75-P367 HydrophobicContact CG2-CB 4.01Å; I75-P367 HydrophobicContact CG2-CG 4.48Å; I75-P367 WeakPolarHBondContact O-CG 3.37Å; V77-P367 HydrophobicContact CG1-CB 3.8Å; M296-P367 HydrophobicContact SD-CB 4.21Å; C362-P367 VanDerWaalsContact O-CD 3.31Å; C362-P367 WeakPolarHBondContact O-CD 3.36Å; S364-P367 WeakPolarHBondContact O-CD 3.5Å; S364-P367 WeakPolarHBondContact O-CG 3.23Å; P367-F370 PolarHBondContact O-N 2.94Å; P367-L371 WeakPolarHBondContact O-CB 3.32Å; P367-L371 WeakPolarHBondContact O-CG 3.48Å; P367-L371 PolarHBondContact O-N 3.05Å
368A98.3Very high97.7Very high0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-65.9-38.2172.800000113I75 S364 L365 H366 G372 I373 T374 K377I75-A368 HydrophobicContact CD1-CB 3.74Å; S364-A368 WeakPolarHBondContact O-CB 3.36Å; S364-A368 PolarHBondContact O-N 3.21Å; S364-A368 VanDerWaalsContact O-N 3.1Å; L365-A368 WeakPolarHBondContact O-CB 3.26Å; L365-A368 PolarHBondContact O-N 3.18Å; H366-A368 VanDerWaalsContact C-N 3.29Å; H366-A368 PolarHBondContact O-N 3.33Å; A368-G372 PolarHBondContact O-N 2.83Å; A368-I373 HydrophobicContact CB-CG1 4.01Å; A368-I373 PolarHBondContact O-N 2.81Å; A368-T374 HydrophobicContact CB-CG2 3.91Å; A368-K377 WeakPolarHBondContact CB-O 3.45Å
369E97.2Very high97.8Very high51 Ų5124.7 Ų24.724%0.23813%0.129CC..Hα-helixtrans-68-42.4175.9-71.9176.7162.400111.5R31 Y269 L365 H366 L371 G372 T374R31-E369 IonicContact CZ-OE1 2.63Å; R31-E369 VanDerWaalsContact NH2-CD 3.32Å; R31-E369 IonicContact NH2-OE1 2.68Å; R31-E369 PolarHBondContact NH2-OE1 2.87Å; R31-E369 IonicContact NH2-OE2 3.03Å; R31-E369 PolarHBondContact NH2-OE2 3.03Å; Y269-E369 HydrophobicContact CE1-CB 3.96Å; Y269-E369 WeakPolarHBondContact OH-CB 3.35Å; Y269-E369 PolarHBondContact OH-OE2 2.66Å; L365-E369 HydrophobicContact CD1-CG 3.91Å; L365-E369 HydrophobicContact CG-CG 4.3Å; L365-E369 WeakPolarHBondContact O-CG 3.41Å; L365-E369 PolarHBondContact O-N 3.23Å; H366-E369 IonicContact CD2-OE2 3.28Å; H366-E369 PolarHBondContact O-N 2.99Å; H366-E369 VanDerWaalsContact O-N 3.15Å; E369-L371 PolarHBondContact O-N 2.83Å; E369-G372 PolarHBondContact O-N 3.31Å; E369-G372 VanDerWaalsContact O-N 3.13Å; E369-T374 HydrophobicContact CB-CG2 4.22Å; E369-T374 HydrophobicContact CG-CG2 3.52Å
370F97.9Very high97.7Very high5 Ų524.8 Ų24.82%0.02213%0.129CC..Hα-helixtrans-57.8-47.8174.4168.6-119.3000112.1I192 R215 Y269 M296 H366 P367 G372I192-F370 HydrophobicContact CD1-CE1 3.74Å; I192-F370 HydrophobicContact CG1-CE1 3.86Å; I192-F370 HydrophobicContact CG1-CZ 4.23Å; I192-F370 HydrophobicContact CG2-CZ 4.46Å; R215-F370 HydrophobicContact CB-CE1 4.3Å; R215-F370 HydrophobicContact CB-CE2 3.9Å; R215-F370 HydrophobicContact CB-CZ 3.64Å; R215-F370 VanDerWaalsContact CD-O 3.29Å; R215-F370 WeakPolarHBondContact CD-O 3.24Å; R215-F370 HydrophobicContact CG-CE2 4.33Å; R215-F370 HydrophobicContact CG-CZ 4.24Å; R215-F370 PolarHBondContact NE-O 3.02Å; Y269-F370 HydrophobicContact CD1-CB 4.22Å; Y269-F370 HydrophobicContact CD2-CB 3.79Å; Y269-F370 HydrophobicContact CD2-CD2 4.01Å; Y269-F370 HydrophobicContact CD2-CG 4.38Å; Y269-F370 HydrophobicContact CE2-CB 4.36Å; Y269-F370 HydrophobicContact CG-CB 3.73Å; Y269-F370 HydrophobicContact CG-CD2 4.26Å; Y269-F370 HydrophobicContact CG-CG 4.37Å; M296-F370 HydrophobicContact CE-CB 4.2Å; M296-F370 HydrophobicContact CE-CD1 3.8Å; M296-F370 HydrophobicContact CE-CD2 4.34Å; M296-F370 HydrophobicContact CE-CE1 4.23Å; M296-F370 HydrophobicContact CE-CG 3.86Å; M296-F370 HydrophobicContact SD-CB 3.34Å; M296-F370 WeakPolarHBondContact SD-CB 3.47Å; M296-F370 HydrophobicContact SD-CD1 3.77Å; M296-F370 HydrophobicContact SD-CG 3.66Å; H366-F370 PolarHBondContact O-N 2.84Å; P367-F370 PolarHBondContact O-N 2.94Å; F370-G372 VanDerWaalsContact C-N 3.28Å; F370-G372 PolarHBondContact O-N 2.9Å
371L97.9Very high97.6Very high20 Ų2027.7 Ų27.711%0.10514%0.143CC..Hα-helixtrans-72.8-22.5177.4-69.5176.8000112.5I75 V77 L146 C191 I192 R215 P367 E369 I373I75-L371 HydrophobicContact CG2-CD1 4.35Å; V77-L371 HydrophobicContact CG1-CD1 3.94Å; V77-L371 HydrophobicContact CG1-CG 4.29Å; L146-L371 HydrophobicContact CD1-CD1 3.68Å; C191-L371 HydrophobicContact CB-CD2 4.31Å; I192-L371 HydrophobicContact CD1-CD2 3.97Å; I192-L371 HydrophobicContact CG1-CD2 3.95Å; R215-L371 HydrophobicContact CG-CD2 4.34Å; R215-L371 PolarHBondContact NE-O 3.33Å; R215-L371 PolarHBondContact NH2-O 2.8Å; P367-L371 WeakPolarHBondContact O-CB 3.32Å; P367-L371 WeakPolarHBondContact O-CG 3.48Å; P367-L371 PolarHBondContact O-N 3.05Å; E369-L371 PolarHBondContact O-N 2.83Å; L371-I373 HydrophobicContact CB-CD1 4.12Å; L371-I373 HydrophobicContact CB-CG1 3.98Å; L371-I373 HydrophobicContact CB-CG2 4.17Å; L371-I373 HydrophobicContact CD1-CD1 3.88Å
372G97Very high97.5Very high41 Ų4130.1 Ų30.142%0.42316%0.159SC..THydrogen-bonded Turntrans77.633.2-175.900000113.2A368 E369 F370A368-G372 PolarHBondContact O-N 2.83Å; E369-G372 PolarHBondContact O-N 3.31Å; E369-G372 VanDerWaalsContact O-N 3.13Å; F370-G372 VanDerWaalsContact C-N 3.28Å; F370-G372 PolarHBondContact O-N 2.9Å
373I97.3Very high97.4Very high22 Ų2232.2 Ų32.211%0.11318%0.181CC..  trans-113.218-175.763.7175.5000113.2I75 L146 A368 L371 N375 R376 K377I75-I373 HydrophobicContact CD1-CD1 4.31Å; L146-I373 HydrophobicContact CD1-CD1 3.97Å; L146-I373 HydrophobicContact CD2-CD1 3.9Å; A368-I373 HydrophobicContact CB-CG1 4.01Å; A368-I373 PolarHBondContact O-N 2.81Å; L371-I373 HydrophobicContact CB-CD1 4.12Å; L371-I373 HydrophobicContact CB-CG1 3.98Å; L371-I373 HydrophobicContact CB-CG2 4.17Å; L371-I373 HydrophobicContact CD1-CD1 3.88Å; I373-N375 PolarHBondContact O-N 3.41Å; I373-N375 VanDerWaalsContact O-N 3.09Å; I373-N375 PolarHBondContact O-OD1 2.93Å; I373-R376 PolarHBondContact O-N 2.92Å; I373-K377 HydrophobicContact CD1-CB 4.25Å; I373-K377 PolarHBondContact O-N 3.46Å
374T97.2Very high97.3Very high40 Ų4032.4 Ų32.425%0.24518%0.182CC..THydrogen-bonded Turntrans-64.6-12.7-177.7570000114.9L365 A368 E369 R376 K377L365-T374 HydrophobicContact CD1-CG2 4.19Å; A368-T374 HydrophobicContact CB-CG2 3.91Å; E369-T374 HydrophobicContact CB-CG2 4.22Å; E369-T374 HydrophobicContact CG-CG2 3.52Å; T374-R376 PolarHBondContact O-N 3.15Å; T374-K377 WeakPolarHBondContact CA-O 3.34Å
375N96.7Very high97.2Very high111 Ų11133.2 Ų33.259%0.59419%0.187SC*.THydrogen-bonded Turntrans-74.5-10.5170.566.4-38.1000113I373I373-N375 PolarHBondContact O-N 3.41Å; I373-N375 VanDerWaalsContact O-N 3.09Å; I373-N375 PolarHBondContact O-OD1 2.93Å
376R96Very high97.1Very high133 Ų13333 Ų3350%0.50219%0.186SC..THydrogen-bonded Turntrans-130.8-37.3-178.8-64.5-173-66.9177.21.8113.5I373 T374 C384 D385I373-R376 PolarHBondContact O-N 2.92Å; T374-R376 PolarHBondContact O-N 3.15Å; R376-C384 CarbonylContact O-C 3.54Å; R376-C384 WeakPolarHBondContact O-CA 3.49Å; R376-C384 WeakPolarHBondContact O-CB 3.45Å; R376-D385 WeakPolarHBondContact O-CB 3.5Å; R376-D385 PolarHBondContact O-N 2.81Å
377K97.8Very high97.1Very high13 Ų1333 Ų336%0.05719%0.186CC..SBendtrans-134.7167.2-174-61.1-164.6-176.1-62.30112.8I75 A112 T144 L146 A368 I373 T374 K379 D385 D387I75-K377 HydrophobicContact CD1-CB 3.96Å; A112-K377 HydrophobicContact CB-CD 3.8Å; T144-K377 PolarHBondContact OG1-NZ 3.47Å; L146-K377 HydrophobicContact CD2-CD 4.11Å; A368-K377 WeakPolarHBondContact CB-O 3.45Å; I373-K377 HydrophobicContact CD1-CB 4.25Å; I373-K377 PolarHBondContact O-N 3.46Å; T374-K377 WeakPolarHBondContact CA-O 3.34Å; K377-K379 VanDerWaalsContact C-N 3.27Å; K377-K379 PolarHBondContact O-N 2.72Å; K377-D385 WeakPolarHBondContact CE-OD2 3.28Å; K377-D385 WeakPolarHBondContact CG-OD2 3.25Å; K377-D385 IonicContact NZ-OD2 3.19Å; K377-D385 PolarHBondContact NZ-OD2 2.78Å; K377-D387 IonicContact NZ-OD2 2.87Å; K377-D387 PolarHBondContact NZ-OD2 2.72Å
378G97.7Very high97.1Very high6 Ų633 Ų336%0.06219%0.186CC..SBendtrans78.54.4177.500000115L365L365-G378 WeakPolarHBondContact CA-O 3.19Å
379K97.6Very high97.1Very high54 Ų5433 Ų3324%0.23519%0.186CC..SBendtrans-145.8153.9176.4-62.2179.5-174.5172.90109.8L365 K377 Q381 C384L365-K379 HydrophobicContact CD1-CD 4.1Å; L365-K379 HydrophobicContact CD1-CG 3.74Å; K377-K379 VanDerWaalsContact C-N 3.27Å; K377-K379 PolarHBondContact O-N 2.72Å; K379-Q381 HydrophobicContact CB-CG 4.27Å; K379-C384 WeakPolarHBondContact O-CB 3.08Å
380L97.4Very high97.1Very high1 Ų130.6 Ų30.61%0.00518%0.175CC..  trans-105.763.3170-61.3175.4000109.9L27 R29 L38 V45 I70 P72 F388L27-L380 HydrophobicContact CD1-CB 4.27Å; L27-L380 HydrophobicContact CD1-CD1 3.42Å; L27-L380 VanDerWaalsContact CD1-CD1 3.42Å; L27-L380 HydrophobicContact CD1-CG 4.47Å; R29-L380 PolarHBondContact NE-O 2.96Å; R29-L380 PolarHBondContact NH2-O 2.81Å; R29-L380 VanDerWaalsContact NH2-O 3.15Å; L38-L380 HydrophobicContact CD1-CB 4.18Å; L38-L380 HydrophobicContact CD2-CD1 4.46Å; V45-L380 HydrophobicContact CG2-CD2 4.09Å; I70-L380 HydrophobicContact CG2-CD1 3.67Å; P72-L380 HydrophobicContact CB-CG 4.28Å; P72-L380 HydrophobicContact CG-CD1 4.47Å; P72-L380 HydrophobicContact CG-CG 4.03Å; L380-F388 HydrophobicContact CD1-CB 4.07Å; L380-F388 HydrophobicContact CD2-CB 3.91Å
381Q95.5Very high97.1Very high62 Ų6230.4 Ų30.429%0.2917%0.174SC..  trans-109.7150.4176.1-72.2-179.4-23.400110.1N30 V45 K379 G383 C384N30-Q381 PolarHBondContact OD1-NE2 2.91Å; V45-Q381 WeakPolarHBondContact CB-O 3.26Å; K379-Q381 HydrophobicContact CB-CG 4.27Å; Q381-G383 PolarHBondContact O-N 2.82Å; Q381-C384 VanDerWaalsContact O-CB 3.25Å; Q381-C384 WeakPolarHBondContact O-CB 3.22Å; Q381-C384 PolarHBondContact O-N 3.14Å
382P96.1Very high97.1Very high62 Ų6231.1 Ų31.140%0.40318%0.178SC..THydrogen-bonded Turntrans-49.1132.4176.4-28.536.1000112.6V45 D47V45-P382 CarbonylContact O-C 3.56Å; V45-P382 WeakPolarHBondContact O-CA 3.07Å; D47-P382 HydrophobicContact CB-CB 4.12Å; D47-P382 HydrophobicContact CB-CG 3.8Å
383G95.6Very high97Very high44 Ų4435.3 Ų35.345%0.45419%0.191SC..THydrogen-bonded Turntrans91.3-18.9-176.600000115.3V45 Q381V45-G383 PolarHBondContact O-N 3.4Å; Q381-G383 PolarHBondContact O-N 2.82Å
384C97.1Very high96.9Very high4 Ų441 Ų413%0.02722%0.217CC..SBendtrans-68.2155.1171.4-65.40000111.1K44 V45 R376 K379 Q381K44-C384 CarbonylContact C-O 3.42Å; K44-C384 WeakPolarHBondContact CA-O 3.38Å; K44-C384 WeakPolarHBondContact CD-O 3.47Å; V45-C384 PolarHBondContact N-O 2.85Å; R376-C384 CarbonylContact O-C 3.54Å; R376-C384 WeakPolarHBondContact O-CA 3.49Å; R376-C384 WeakPolarHBondContact O-CB 3.45Å; K379-C384 WeakPolarHBondContact O-CB 3.08Å; Q381-C384 VanDerWaalsContact O-CB 3.25Å; Q381-C384 WeakPolarHBondContact O-CB 3.22Å; Q381-C384 PolarHBondContact O-N 3.14Å
385D96.4Very high96.8Very high18 Ų1840.2 Ų40.210%0.09621%0.21CC..BIsolated β-bridgetrans-58136.7168.6-57.9-20.8000108.8K44 R376 K377 D387K44-D385 IonicContact NZ-OD1 3.9Å; K44-D385 PolarHBondContact NZ-OD1 3.17Å; R376-D385 WeakPolarHBondContact O-CB 3.5Å; R376-D385 PolarHBondContact O-N 2.81Å; K377-D385 WeakPolarHBondContact CE-OD2 3.28Å; K377-D385 WeakPolarHBondContact CG-OD2 3.25Å; K377-D385 IonicContact NZ-OD2 3.19Å; K377-D385 PolarHBondContact NZ-OD2 2.78Å; D385-D387 PolarHBondContact O-N 2.78Å
386A96.7Very high96.8Very high0 Ų037 Ų370%019%0.193CC..  trans-77.457.6175.400000111V40 G43 V45 F388 E403 G404V40-A386 HydrophobicContact CB-CB 4.23Å; V40-A386 HydrophobicContact CG1-CB 3.42Å; V40-A386 VanDerWaalsContact CG1-CB 3.42Å; V40-A386 HydrophobicContact CG2-CB 3.74Å; G43-A386 WeakPolarHBondContact O-CB 3.42Å; G43-A386 PolarHBondContact O-N 2.97Å; V45-A386 HydrophobicContact CG2-CB 4.35Å; A386-F388 HydrophobicContact CB-CE1 4.35Å; A386-F388 WeakPolarHBondContact O-CD1 3.29Å; A386-E403 PolarHBondContact O-N 2.8Å; A386-G404 PolarHBondContact O-N 2.74Å
387D97.4Very high96.8Very high7 Ų731 Ų314%0.03717%0.171CC..  trans-96.8110.4173.8-72.45.7000108.2G73 T111 K377 D385 Y401 I402 E403G73-D387 PolarHBondContact N-O 2.85Å; T111-D387 HydrophobicContact CG2-CB 4.24Å; K377-D387 IonicContact NZ-OD2 2.87Å; K377-D387 PolarHBondContact NZ-OD2 2.72Å; D385-D387 PolarHBondContact O-N 2.78Å; D387-Y401 WeakPolarHBondContact CA-O 3.48Å; D387-I402 WeakPolarHBondContact OD1-CA 3.36Å; D387-E403 PolarHBondContact OD1-N 3Å
388F98.1Very high96.8Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-152.3162.4-176.162.1-86.4000112.5Y22 L38 V40 I70 A71 L380 A386 L390 Y401Y22-F388 HydrophobicContact CD1-CE2 4.36Å; Y22-F388 HydrophobicContact CD1-CZ 4.36Å; Y22-F388 HydrophobicContact CD2-CZ 4.41Å; Y22-F388 HydrophobicContact CE1-CE2 4.02Å; Y22-F388 AromaticContact CE1-CZ 3.74Å; Y22-F388 HydrophobicContact CE1-CZ 3.74Å; Y22-F388 HydrophobicContact CE2-CE1 4.42Å; Y22-F388 AromaticContact CE2-CZ 3.82Å; Y22-F388 HydrophobicContact CE2-CZ 3.82Å; Y22-F388 AromaticContact CZ-CZ 3.46Å; Y22-F388 VanDerWaalsContact CZ-CZ 3.46Å; L38-F388 HydrophobicContact CD2-CD1 3.85Å; L38-F388 HydrophobicContact CD2-CD2 4.31Å; L38-F388 HydrophobicContact CD2-CE1 3.97Å; L38-F388 HydrophobicContact CD2-CE2 4.39Å; L38-F388 HydrophobicContact CD2-CG 4.04Å; L38-F388 HydrophobicContact CD2-CZ 4.24Å; V40-F388 HydrophobicContact CG2-CE1 4.24Å; I70-F388 HydrophobicContact CG2-CB 4.06Å; I70-F388 HydrophobicContact CG2-CD2 3.8Å; I70-F388 HydrophobicContact CG2-CG 4.16Å; A71-F388 CarbonylContact O-C 3.57Å; A71-F388 WeakPolarHBondContact O-CA 3.5Å; A71-F388 WeakPolarHBondContact O-CB 3.35Å; L380-F388 HydrophobicContact CD1-CB 4.07Å; L380-F388 HydrophobicContact CD2-CB 3.91Å; A386-F388 HydrophobicContact CB-CE1 4.35Å; A386-F388 WeakPolarHBondContact O-CD1 3.29Å; F388-L390 HydrophobicContact CD2-CD2 4.4Å; F388-L390 HydrophobicContact CE2-CD2 4.32Å; F388-Y401 HydrophobicContact CD1-CG 4.49Å; F388-Y401 AromaticContact CD2-CD2 3.79Å; F388-Y401 HydrophobicContact CD2-CD2 3.79Å; F388-Y401 HydrophobicContact CD2-CG 4.1Å; F388-Y401 HydrophobicContact CE1-CD1 4.23Å; F388-Y401 HydrophobicContact CE1-CD2 4.49Å; F388-Y401 AromaticContact CE1-CG 3.86Å; F388-Y401 HydrophobicContact CE1-CG 3.86Å; F388-Y401 HydrophobicContact CE2-CD1 4.04Å; F388-Y401 AromaticContact CE2-CD2 3.23Å; F388-Y401 HydrophobicContact CE2-CD2 3.23Å; F388-Y401 HydrophobicContact CE2-CE1 4.42Å; F388-Y401 AromaticContact CE2-CE2 3.71Å; F388-Y401 HydrophobicContact CE2-CE2 3.71Å; F388-Y401 AromaticContact CE2-CG 3.43Å; F388-Y401 HydrophobicContact CE2-CG 3.43Å; F388-Y401 VanDerWaalsContact CE2-CG 3.43Å; F388-Y401 VanDerWaalsContact CZ-CB 3.49Å; F388-Y401 AromaticContact CZ-CD1 3.54Å; F388-Y401 HydrophobicContact CZ-CD1 3.54Å; F388-Y401 AromaticContact CZ-CD2 3.63Å; F388-Y401 HydrophobicContact CZ-CD2 3.63Å; F388-Y401 HydrophobicContact CZ-CE1 4.12Å; F388-Y401 HydrophobicContact CZ-CE2 4.21Å; F388-Y401 AromaticContact CZ-CG 3.26Å; F388-Y401 HydrophobicContact CZ-CG 3.26Å; F388-Y401 PolarHBondContact N-O 3.28Å; F388-Y401 VanDerWaalsContact N-O 3.08Å; F388-Y401 PolarHBondContact O-N 2.85Å
389V98.4Very high96.8Very high0 Ų031 Ų310%017%0.17CC..EExtended strand (participates in β ladder)trans-117.8147.3175.2-67.80000109.9I70 A71 F74 L391 A399 T400I70-V389 WeakPolarHBondContact CA-O 3.18Å; A71-V389 HydrophobicContact CB-CG2 3.92Å; A71-V389 PolarHBondContact N-O 2.8Å; A71-V389 VanDerWaalsContact N-O 3.13Å; A71-V389 PolarHBondContact O-N 3.28Å; F74-V389 HydrophobicContact CE1-CG2 3.76Å; F74-V389 HydrophobicContact CZ-CG1 4.42Å; F74-V389 HydrophobicContact CZ-CG2 3.84Å; V389-L391 HydrophobicContact CB-CG 4.46Å; V389-L391 HydrophobicContact CG2-CD1 3.79Å; V389-L391 HydrophobicContact CG2-CD2 4.37Å; V389-L391 HydrophobicContact CG2-CG 3.93Å; V389-A399 CarbonylContact C-O 3.49Å; V389-A399 WeakPolarHBondContact CA-O 3.49Å; V389-T400 HydrophobicContact CG1-CG2 4.02Å
390L98.2Very high96.7Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-98.1129.3163.7-60.3-173.2000108.6W7 L68 F69 I70 F388 M398 A399 Y401W7-L390 HydrophobicContact CB-CD1 3.63Å; W7-L390 HydrophobicContact CD2-CD1 3.96Å; W7-L390 HydrophobicContact CE3-CD1 4.06Å; W7-L390 HydrophobicContact CG-CD1 3.79Å; L68-L390 HydrophobicContact CD1-CB 4.14Å; L68-L390 HydrophobicContact CD1-CD1 4.36Å; F69-L390 CarbonylContact O-C 3.53Å; F69-L390 WeakPolarHBondContact O-CA 3.24Å; I70-L390 HydrophobicContact CB-CD2 4.49Å; I70-L390 HydrophobicContact CD1-CD2 4.04Å; I70-L390 HydrophobicContact CG1-CD2 3.59Å; F388-L390 HydrophobicContact CD2-CD2 4.4Å; F388-L390 HydrophobicContact CE2-CD2 4.32Å; L390-M398 HydrophobicContact CB-CB 4.21Å; L390-M398 PolarHBondContact O-N 2.82Å; L390-A399 HydrophobicContact CB-CB 4.27Å; L390-A399 HydrophobicContact CD1-CB 4.17Å; L390-A399 HydrophobicContact CG-CB 4.3Å; L390-A399 PolarHBondContact N-O 3.01Å; L390-A399 PolarHBondContact O-N 3.36Å; L390-Y401 HydrophobicContact CD1-CE2 3.96Å; L390-Y401 HydrophobicContact CG-CE2 3.95Å
391L98.1Very high96.7Very high1 Ų128.4 Ų28.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-127.1144.1-175.5-62.4157.1000110.9L68 F69 A71 F74 L360 V389 N396 I397L68-L391 WeakPolarHBondContact CA-O 3.19Å; L68-L391 WeakPolarHBondContact CB-O 3.04Å; L68-L391 WeakPolarHBondContact CD2-O 3.39Å; F69-L391 HydrophobicContact CB-CB 4.21Å; F69-L391 PolarHBondContact N-O 3.2Å; F69-L391 PolarHBondContact O-N 3.43Å; A71-L391 HydrophobicContact CB-CD1 4Å; F74-L391 HydrophobicContact CZ-CD2 4.47Å; L360-L391 HydrophobicContact CD1-CD1 4.06Å; L360-L391 HydrophobicContact CD2-CD1 3.55Å; L360-L391 HydrophobicContact CG-CD1 4.47Å; V389-L391 HydrophobicContact CB-CG 4.46Å; V389-L391 HydrophobicContact CG2-CD1 3.79Å; V389-L391 HydrophobicContact CG2-CD2 4.37Å; V389-L391 HydrophobicContact CG2-CG 3.93Å; L391-N396 VanDerWaalsContact CA-O 3.27Å; L391-N396 WeakPolarHBondContact CA-O 3.39Å; L391-I397 HydrophobicContact CD2-CB 4.48Å; L391-I397 HydrophobicContact CD2-CG1 3.69Å
392D96.9Very high96.7Very high35 Ų3525.4 Ų25.419%0.18715%0.145CC..  trans-83-178.4168.470.713.1000112.1L68 E394 M395 N396 M398L68-D392 HydrophobicContact CD2-CB 4.06Å; D392-E394 PolarHBondContact O-N 3.17Å; D392-E394 WeakPolarHBondContact OD1-CA 3.32Å; D392-E394 WeakPolarHBondContact OD1-CB 3.28Å; D392-E394 PolarHBondContact OD1-N 3.38Å; D392-M395 PolarHBondContact O-N 3.26Å; D392-M395 PolarHBondContact OD1-N 3.42Å; D392-M395 VanDerWaalsContact OD1-N 3.11Å; D392-N396 PolarHBondContact N-O 3.06Å; D392-N396 VanDerWaalsContact N-O 3.08Å; D392-N396 WeakPolarHBondContact OD1-CB 3.41Å; D392-N396 PolarHBondContact OD1-N 3.35Å; D392-N396 PolarHBondContact OD1-ND2 3.1Å; D392-N396 WeakPolarHBondContact OD2-CB 3.17Å; D392-N396 PolarHBondContact OD2-ND2 2.98Å; D392-M398 HydrophobicContact CB-CG 4.28Å; D392-M398 HydrophobicContact CB-SD 4.15Å
393N94.9Very high96.6Very high129 Ų12925.2 Ų25.269%0.6914%0.138SC*.THydrogen-bonded Turntrans-64.2-19.3180-67.5-19.3000114.1F69 M395F69-N393 VanDerWaalsContact CE2-OD1 3.28Å; F69-N393 WeakPolarHBondContact CE2-OD1 3.37Å; N393-M395 VanDerWaalsContact C-N 3.32Å
394E94.8Very high96.6Very high141 Ų14123.2 Ų23.266%0.65912%0.117SC*.THydrogen-bonded Turntrans-94.24.9178.4-68.1165-163.900111.5R346 D392 N396R346-E394 WeakPolarHBondContact CD-O 3.41Å; D392-E394 PolarHBondContact O-N 3.17Å; D392-E394 WeakPolarHBondContact OD1-CA 3.32Å; D392-E394 WeakPolarHBondContact OD1-CB 3.28Å; D392-E394 PolarHBondContact OD1-N 3.38Å; E394-N396 WeakPolarHBondContact CB-ND2 3.29Å; E394-N396 PolarHBondContact O-N 3.34Å; E394-N396 PolarHBondContact OE2-ND2 2.81Å; E394-N396 VanDerWaalsContact OE2-ND2 3.13Å
395M95.5Very high96.4Very high24 Ų2424.5 Ų24.512%0.11812%0.124CC..  trans62.827.8-174.8-51.3-72.1158.400112.9R346 I349 L360 D392 N393R346-M395 HydrophobicContact CG-CB 4.04Å; I349-M395 HydrophobicContact CD1-CG 3.86Å; L360-M395 HydrophobicContact CD1-SD 4.24Å; D392-M395 PolarHBondContact O-N 3.26Å; D392-M395 PolarHBondContact OD1-N 3.42Å; D392-M395 VanDerWaalsContact OD1-N 3.11Å; N393-M395 VanDerWaalsContact C-N 3.32Å
396N96.4Very high96.2Very high44 Ų4424.2 Ų24.224%0.23512%0.122CC..  trans-79.3142.6167.2-53.7-58000109.6L391 D392 E394 M398L391-N396 VanDerWaalsContact CA-O 3.27Å; L391-N396 WeakPolarHBondContact CA-O 3.39Å; D392-N396 PolarHBondContact N-O 3.06Å; D392-N396 VanDerWaalsContact N-O 3.08Å; D392-N396 WeakPolarHBondContact OD1-CB 3.41Å; D392-N396 PolarHBondContact OD1-N 3.35Å; D392-N396 PolarHBondContact OD1-ND2 3.1Å; D392-N396 WeakPolarHBondContact OD2-CB 3.17Å; D392-N396 PolarHBondContact OD2-ND2 2.98Å; E394-N396 WeakPolarHBondContact CB-ND2 3.29Å; E394-N396 PolarHBondContact O-N 3.34Å; E394-N396 PolarHBondContact OE2-ND2 2.81Å; E394-N396 VanDerWaalsContact OE2-ND2 3.13Å; N396-M398 PolarHBondContact O-N 3.07Å
397I97.1Very high96Very high6 Ų626 Ų263%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-78.5122.7178.1-64.3169.9000109.7F74 S108 N342 L391 Y408 H410F74-I397 HydrophobicContact CE2-CD1 3.99Å; S108-I397 VanDerWaalsContact O-CD1 3.26Å; S108-I397 WeakPolarHBondContact O-CD1 3.21Å; N342-I397 HydrophobicContact CB-CD1 3.54Å; N342-I397 HydrophobicContact CB-CG1 4.07Å; L391-I397 HydrophobicContact CD2-CB 4.48Å; L391-I397 HydrophobicContact CD2-CG1 3.69Å; I397-Y408 HydrophobicContact CG2-CD1 4.08Å; I397-Y408 HydrophobicContact CG2-CE1 4.03Å; I397-H410 WeakPolarHBondContact O-CB 3.48Å
398M97.4Very high95.9Very high19 Ų1928.5 Ų28.59%0.09414%0.14CC..EExtended strand (participates in β ladder)trans-92.5-38.7173.5-56.8-49.6-57.700111.7W7 L68 L390 D392 N396 H410W7-M398 HydrophobicContact CH2-CB 3.76Å; W7-M398 HydrophobicContact CH2-CE 3.89Å; W7-M398 HydrophobicContact CZ2-CB 4.12Å; W7-M398 HydrophobicContact CZ2-CE 4.05Å; W7-M398 HydrophobicContact CZ3-CB 4.13Å; W7-M398 WeakPolarHBondContact CZ3-O 3.46Å; L68-M398 HydrophobicContact CD1-CB 3.95Å; L68-M398 HydrophobicContact CD1-CG 3.93Å; L68-M398 HydrophobicContact CD2-CG 3.84Å; L390-M398 HydrophobicContact CB-CB 4.21Å; L390-M398 PolarHBondContact O-N 2.82Å; D392-M398 HydrophobicContact CB-CG 4.28Å; D392-M398 HydrophobicContact CB-SD 4.15Å; N396-M398 PolarHBondContact O-N 3.07Å; M398-H410 PolarHBondContact O-N 3.03Å
399A96.6Very high95.7Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-157.4157.7176.200000111.7W7 V389 L390 Y401 R406 Y408W7-A399 HydrophobicContact CE3-CB 4.04Å; W7-A399 HydrophobicContact CZ3-CB 4.06Å; V389-A399 CarbonylContact C-O 3.49Å; V389-A399 WeakPolarHBondContact CA-O 3.49Å; L390-A399 HydrophobicContact CB-CB 4.27Å; L390-A399 HydrophobicContact CD1-CB 4.17Å; L390-A399 HydrophobicContact CG-CB 4.3Å; L390-A399 PolarHBondContact N-O 3.01Å; L390-A399 PolarHBondContact O-N 3.36Å; A399-Y401 HydrophobicContact CB-CD2 4.45Å; A399-Y401 HydrophobicContact CB-CE2 3.77Å; A399-R406 HydrophobicContact CB-CG 4.31Å; A399-Y408 VanDerWaalsContact CA-O 3.25Å; A399-Y408 WeakPolarHBondContact CA-O 3.49Å; A399-Y408 WeakPolarHBondContact CB-O 3.2Å
400T97.2Very high95.2Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-131.2132176.3-53.20000110.2P106 T111 V389 I407 Y408P106-T400 HydrophobicContact CB-CG2 4.09Å; P106-T400 WeakPolarHBondContact O-CB 3.32Å; P106-T400 PolarHBondContact O-OG1 2.87Å; T111-T400 HydrophobicContact CG2-CG2 3.58Å; V389-T400 HydrophobicContact CG1-CG2 4.02Å; T400-I407 PolarHBondContact O-N 3.15Å; T400-Y408 PolarHBondContact N-O 3.22Å; T400-Y408 PolarHBondContact O-N 3.46Å
401Y96.5Very high94.2Very high0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-117138.1-177.1-67-105.3000110.1Y22 T111 D387 F388 L390 A399 N405 R406Y22-Y401 AromaticContact CE1-CE1 3.97Å; Y22-Y401 HydrophobicContact CE1-CE1 3.97Å; Y22-Y401 WeakPolarHBondContact OH-CE1 3.37Å; T111-Y401 WeakPolarHBondContact CG2-O 3.26Å; D387-Y401 WeakPolarHBondContact CA-O 3.48Å; F388-Y401 HydrophobicContact CD1-CG 4.49Å; F388-Y401 AromaticContact CD2-CD2 3.79Å; F388-Y401 HydrophobicContact CD2-CD2 3.79Å; F388-Y401 HydrophobicContact CD2-CG 4.1Å; F388-Y401 HydrophobicContact CE1-CD1 4.23Å; F388-Y401 HydrophobicContact CE1-CD2 4.49Å; F388-Y401 AromaticContact CE1-CG 3.86Å; F388-Y401 HydrophobicContact CE1-CG 3.86Å; F388-Y401 HydrophobicContact CE2-CD1 4.04Å; F388-Y401 AromaticContact CE2-CD2 3.23Å; F388-Y401 HydrophobicContact CE2-CD2 3.23Å; F388-Y401 HydrophobicContact CE2-CE1 4.42Å; F388-Y401 AromaticContact CE2-CE2 3.71Å; F388-Y401 HydrophobicContact CE2-CE2 3.71Å; F388-Y401 AromaticContact CE2-CG 3.43Å; F388-Y401 HydrophobicContact CE2-CG 3.43Å; F388-Y401 VanDerWaalsContact CE2-CG 3.43Å; F388-Y401 VanDerWaalsContact CZ-CB 3.49Å; F388-Y401 AromaticContact CZ-CD1 3.54Å; F388-Y401 HydrophobicContact CZ-CD1 3.54Å; F388-Y401 AromaticContact CZ-CD2 3.63Å; F388-Y401 HydrophobicContact CZ-CD2 3.63Å; F388-Y401 HydrophobicContact CZ-CE1 4.12Å; F388-Y401 HydrophobicContact CZ-CE2 4.21Å; F388-Y401 AromaticContact CZ-CG 3.26Å; F388-Y401 HydrophobicContact CZ-CG 3.26Å; F388-Y401 PolarHBondContact N-O 3.28Å; F388-Y401 VanDerWaalsContact N-O 3.08Å; F388-Y401 PolarHBondContact O-N 2.85Å; L390-Y401 HydrophobicContact CD1-CE2 3.96Å; L390-Y401 HydrophobicContact CG-CE2 3.95Å; A399-Y401 HydrophobicContact CB-CD2 4.45Å; A399-Y401 HydrophobicContact CB-CE2 3.77Å; Y401-N405 CarbonylContact C-O 3.52Å; Y401-N405 WeakPolarHBondContact CA-O 3.32Å; Y401-R406 HydrophobicContact CD1-CB 3.88Å; Y401-R406 HydrophobicContact CD1-CG 4.45Å; Y401-R406 HydrophobicContact CE1-CB 3.52Å; Y401-R406 HydrophobicContact CE1-CG 3.95Å; Y401-R406 HydrophobicContact CE2-CG 4.1Å
402I96Very high92.3Very high0 Ų048.3 Ų48.30%024%0.237CC..EExtended strand (participates in β ladder)trans-131.3124.1174.9-55.1-178.4000107.4P106 T111 G138 G142 D387 G404 N405 I407P106-I402 HydrophobicContact CG-CD1 3.92Å; T111-I402 HydrophobicContact CG2-CD1 4.36Å; T111-I402 HydrophobicContact CG2-CG1 3.83Å; G138-I402 VanDerWaalsContact N-CG2 3.31Å; G142-I402 VanDerWaalsContact C-CD1 3.44Å; G142-I402 WeakPolarHBondContact O-CD1 3.25Å; D387-I402 WeakPolarHBondContact OD1-CA 3.36Å; I402-G404 PolarHBondContact O-N 3.47Å; I402-N405 PolarHBondContact N-O 2.78Å; I402-N405 PolarHBondContact O-N 2.84Å; I402-I407 HydrophobicContact CB-CG1 3.83Å; I402-I407 HydrophobicContact CD1-CG1 4.04Å; I402-I407 HydrophobicContact CG1-CG1 3.86Å
403E94.6Very high89.3Confident58 Ų5857.4 Ų57.427%0.27127%0.269SS..THydrogen-bonded Turntrans48.243.7-172.8-60.3179.7167.200111.5G43 A386 D387 N405G43-E403 VanDerWaalsContact CA-C 3.44Å; G43-E403 WeakPolarHBondContact CA-O 3.33Å; A386-E403 PolarHBondContact O-N 2.8Å; D387-E403 PolarHBondContact OD1-N 3Å; E403-N405 PolarHBondContact O-N 2.86Å; E403-N405 PolarHBondContact O-ND2 2.69Å; E403-N405 VanDerWaalsContact O-ND2 3.1Å
404G93.7Very high86.1Confident1 Ų156.3 Ų56.31%0.0127%0.269CS..THydrogen-bonded Turntrans73.7-1.4178.500000115.8A386 I402A386-G404 PolarHBondContact O-N 2.74Å; I402-G404 PolarHBondContact O-N 3.47Å
405N93Very high83.1Confident32 Ų3255.8 Ų55.817%0.17128%0.278CS..EExtended strand (participates in β ladder)trans-97.5134.5176.8-60.5-74.2000110.3G16 Y401 I402 E403 I407G16-N405 PolarHBondContact N-OD1 2.75Å; Y401-N405 CarbonylContact C-O 3.52Å; Y401-N405 WeakPolarHBondContact CA-O 3.32Å; I402-N405 PolarHBondContact N-O 2.78Å; I402-N405 PolarHBondContact O-N 2.84Å; E403-N405 PolarHBondContact O-N 2.86Å; E403-N405 PolarHBondContact O-ND2 2.69Å; E403-N405 VanDerWaalsContact O-ND2 3.1Å; N405-I407 HydrophobicContact CB-CD1 3.96Å; N405-I407 WeakPolarHBondContact O-CG1 3.38Å; N405-I407 PolarHBondContact O-N 3.05Å
406R93.8Very high80.1Confident12 Ų1264.6 Ų64.65%0.04533%0.333CS..EExtended strand (participates in β ladder)trans-76.1106.8177.7-165.8174.763.9148.516.2109.6W7 N8 K13 A399 Y401 E409W7-R406 PolarHBondContact O-NH1 3.23Å; N8-R406 VanDerWaalsContact CA-NH1 3.34Å; K13-R406 HydrophobicContact CG-CB 4.36Å; K13-R406 WeakPolarHBondContact CG-O 3.31Å; K13-R406 PolarHBondContact O-N 3.17Å; A399-R406 HydrophobicContact CB-CG 4.31Å; Y401-R406 HydrophobicContact CD1-CB 3.88Å; Y401-R406 HydrophobicContact CD1-CG 4.45Å; Y401-R406 HydrophobicContact CE1-CB 3.52Å; Y401-R406 HydrophobicContact CE1-CG 3.95Å; Y401-R406 HydrophobicContact CE2-CG 4.1Å; R406-E409 IonicContact CZ-OE1 3.79Å; R406-E409 IonicContact CZ-OE2 3.54Å; R406-E409 IonicContact NH1-OE1 3.79Å; R406-E409 PolarHBondContact NH1-OE1 3Å; R406-E409 IonicContact NH1-OE2 3.77Å; R406-E409 PolarHBondContact NH1-OE2 3.41Å; R406-E409 IonicContact NH2-OE2 2.8Å; R406-E409 PolarHBondContact NH2-OE2 2.97Å
407I92.6Very high79.3Confident37 Ų3765.6 Ų65.619%0.1934%0.338CS..EExtended strand (participates in β ladder)trans-93-30.2-176.7-52.1-49.8000111.3P106 G139 T400 I402 N405P106-I407 HydrophobicContact CB-CB 4.44Å; P106-I407 HydrophobicContact CB-CG2 4.16Å; P106-I407 HydrophobicContact CG-CG2 4.01Å; G139-I407 WeakPolarHBondContact O-CD1 3.49Å; T400-I407 PolarHBondContact O-N 3.15Å; I402-I407 HydrophobicContact CB-CG1 3.83Å; I402-I407 HydrophobicContact CD1-CG1 4.04Å; I402-I407 HydrophobicContact CG1-CG1 3.86Å; N405-I407 HydrophobicContact CB-CD1 3.96Å; N405-I407 WeakPolarHBondContact O-CG1 3.38Å; N405-I407 PolarHBondContact O-N 3.05Å
408Y93.9Very high78.4Confident59 Ų5968.7 Ų68.723%0.23135%0.354CS..EExtended strand (participates in β ladder)trans-133.3144.2177.2174.7-103.2000111Q107 I397 A399 T400 H410Q107-Y408 HydrophobicContact CB-CD1 4.46Å; Q107-Y408 HydrophobicContact CB-CD2 3.65Å; Q107-Y408 HydrophobicContact CB-CE1 4.33Å; Q107-Y408 HydrophobicContact CB-CE2 3.49Å; Q107-Y408 VanDerWaalsContact CB-CE2 3.49Å; Q107-Y408 HydrophobicContact CB-CG 4.14Å; I397-Y408 HydrophobicContact CG2-CD1 4.08Å; I397-Y408 HydrophobicContact CG2-CE1 4.03Å; A399-Y408 VanDerWaalsContact CA-O 3.25Å; A399-Y408 WeakPolarHBondContact CA-O 3.49Å; A399-Y408 WeakPolarHBondContact CB-O 3.2Å; T400-Y408 PolarHBondContact N-O 3.22Å; T400-Y408 PolarHBondContact O-N 3.46Å; Y408-H410 HydrophobicContact CE1-CB 4.21Å
409E93.7Very high77.3Confident58 Ų5871.5 Ų71.527%0.27137%0.369SS..EExtended strand (participates in β ladder)trans-137.5128171.2168.7171.6-145.100107.7W7 N8 R406 V411W7-E409 HydrophobicContact CZ3-CG 4.21Å; N8-E409 VanDerWaalsContact CA-OE1 3.25Å; N8-E409 WeakPolarHBondContact CA-OE1 3.49Å; N8-E409 VanDerWaalsContact CB-OE1 3.28Å; N8-E409 WeakPolarHBondContact CB-OE1 3.49Å; R406-E409 IonicContact CZ-OE1 3.79Å; R406-E409 IonicContact CZ-OE2 3.54Å; R406-E409 IonicContact NH1-OE1 3.79Å; R406-E409 PolarHBondContact NH1-OE1 3Å; R406-E409 IonicContact NH1-OE2 3.77Å; R406-E409 PolarHBondContact NH1-OE2 3.41Å; R406-E409 IonicContact NH2-OE2 2.8Å; R406-E409 PolarHBondContact NH2-OE2 2.97Å; E409-V411 PolarHBondContact O-N 3.35Å
410H88.9Confident76.2Confident79 Ų7975.7 Ų75.737%0.36639%0.39SS..  trans-70.6104.2173.9-177.4-72.6000109.2I397 M398 Y408 K412I397-H410 WeakPolarHBondContact O-CB 3.48Å; M398-H410 PolarHBondContact O-N 3.03Å; Y408-H410 HydrophobicContact CE1-CB 4.21Å; H410-K412 PolarHBondContact ND1-N 2.63Å; H410-K412 PolarHBondContact O-N 2.9Å; H410-K412 VanDerWaalsContact O-N 3.09Å
411V75.9Confident74.9Confident116 Ų11680.4 Ų80.470%0.70342%0.415SS*.  trans-71.3105.8169.2-175.30000106.9E409 R413E409-V411 PolarHBondContact O-N 3.35Å; V411-R413 PolarHBondContact O-N 2.88Å
412K58.4Low73.4Confident164 Ų16485.8 Ų85.871%0.71344%0.442SS*.  trans-54.8108.6165-80.6-170.9177.2-174.10106.2H410H410-K412 PolarHBondContact ND1-N 2.63Å; H410-K412 PolarHBondContact O-N 2.9Å; H410-K412 VanDerWaalsContact O-N 3.09Å
413R35.7Very low71.8Confident227 Ų22791.9 Ų91.986%0.85747%0.474SS*.PPolyproline II helixtrans-53.3127.9162.5-93-176.7174.5176.1-0.9105.4V411V411-R413 PolarHBondContact O-N 2.88Å
414P26.7Very low70.1Confident105 Ų10594.5 Ų94.568%0.68249%0.49SS*.PPolyproline II helixtrans-52.6140.1168.522.1-29.6000107.2T416P414-T416 PolarHBondContact O-N 2.68Å; P414-T416 VanDerWaalsContact O-N 3.09Å
415P31.5Very low68.1Low130 Ų130102.3 Ų102.384%0.84453%0.53SS*.PPolyproline II helixtrans-52.5124.7173.521.7-30000107.9
416T33.1Very low65.8Low209 Ų209108.7 Ų108.7100%1.28256%0.562SS**  trans-62.30169.747.20000110.8P414P414-T416 PolarHBondContact O-N 2.68Å; P414-T416 VanDerWaalsContact O-N 3.09Å

Retrieved 416 of 416 residues in 311.1 ms (Link to these results)

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