Q9AQZ5_ORYSJ Loading...

70 kDa heat shock protein

AlphaFold DB , UniProt , Accession Q9AQZ5, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 845 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
1M69.5Low92.9Very high111 Ų11120.8 Ų20.855%0.54711%0.111SC..  0125.10-179.1175.9-78.500107.1D139 S381 P382 T383M1-D139 WeakPolarHBondContact CE-OD2 3.41Å; M1-D139 HydrophobicContact CG-CB 4.41Å; M1-D139 WeakPolarHBondContact CG-OD2 3.28Å; M1-S381 PolarHBondContact SD-OG 2.72Å; M1-P382 HydrophobicContact CE-CG 3.99Å; M1-P382 HydrophobicContact SD-CG 4.27Å; M1-T383 HydrophobicContact CB-CG2 4.48Å
2S83.4Confident93.2Very high9 Ų921.3 Ų21.36%0.06312%0.117CC..  trans-73.6146.3171.854.90000110D139S2-D139 PolarHBondContact OG-O 3.37Å
3V91.1Very high93.6Very high3 Ų319.8 Ų19.82%0.01811%0.109CC..  trans-117.2112.8166163.90000107.2V17 A18 A374 C377 A378 F384V3-V17 WeakPolarHBondContact O-CA 3.37Å; V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.72Å; V3-A18 PolarHBondContact O-N 3.34Å; V3-A374 VanDerWaalsContact CG1-O 3.31Å; V3-A374 WeakPolarHBondContact CG1-O 2.98Å; V3-C377 HydrophobicContact CG1-CB 4.01Å; V3-A378 HydrophobicContact CG1-CB 3.83Å; V3-F384 HydrophobicContact CB-CD2 4.44Å; V3-F384 HydrophobicContact CB-CE2 4.29Å; V3-F384 HydrophobicContact CB-CZ 4.48Å; V3-F384 HydrophobicContact CG2-CB 4.47Å; V3-F384 HydrophobicContact CG2-CD1 4.45Å; V3-F384 HydrophobicContact CG2-CD2 3.4Å; V3-F384 VanDerWaalsContact CG2-CD2 3.4Å; V3-F384 HydrophobicContact CG2-CE2 3.62Å; V3-F384 HydrophobicContact CG2-CG 3.86Å; V3-F384 HydrophobicContact CG2-CZ 4.23Å
4V97.3Very high93.9Very high0 Ų018.7 Ų18.70%010%0.103CC..EExtended strand (participates in β ladder)trans-136.5132.3-171.4-171.70000110.7F6 V15 A16 V17 A129 L133 V137 C140 C141 C377V4-F6 HydrophobicContact CB-CZ 4.47Å; V4-F6 HydrophobicContact CG1-CD1 4.2Å; V4-F6 HydrophobicContact CG1-CD2 4.41Å; V4-F6 HydrophobicContact CG1-CE1 3.65Å; V4-F6 HydrophobicContact CG1-CE2 3.89Å; V4-F6 HydrophobicContact CG1-CZ 3.49Å; V4-F6 VanDerWaalsContact CG1-CZ 3.49Å; V4-V15 HydrophobicContact CG1-CG1 4.06Å; V4-A16 CarbonylContact C-O 3.58Å; V4-A16 WeakPolarHBondContact CA-O 3.17Å; V4-V17 HydrophobicContact CG1-CG1 4.37Å; V4-V17 HydrophobicContact CG2-CG1 4.24Å; V4-A129 HydrophobicContact CG1-CB 4.03Å; V4-A129 HydrophobicContact CG2-CB 4.31Å; V4-L133 HydrophobicContact CG2-CD1 4.19Å; V4-V137 HydrophobicContact CB-CG1 4.33Å; V4-V137 HydrophobicContact CG2-CG1 3.73Å; V4-V137 HydrophobicContact CG2-CG2 4.05Å; V4-C140 HydrophobicContact CB-CB 4.29Å; V4-C140 CarbonylContact O-C 3.58Å; V4-C140 VanDerWaalsContact O-CA 3.25Å; V4-C140 WeakPolarHBondContact O-CA 3.33Å; V4-C140 WeakPolarHBondContact O-CB 3.39Å; V4-C141 PolarHBondContact O-N 2.97Å; V4-C377 PolarHBondContact N-SG 3.45Å
5G98.4Very high94.2Very high0 Ų017.7 Ų17.70%010%0.098CC..EExtended strand (participates in β ladder)trans-112.7126.6171.200000110.8A16 C141G5-A16 PolarHBondContact N-O 3.06Å; G5-A16 PolarHBondContact O-N 2.91Å; G5-C141 WeakPolarHBondContact CA-O 3.45Å
6F98.7Very high94.5Very high0 Ų016.6 Ų16.60%09%0.092CC..EExtended strand (participates in β ladder)trans-107.1129.2174.3-62.5-62.3000110.1V4 V15 L122 L125 C140 C141 I142 G143 L165V4-F6 HydrophobicContact CB-CZ 4.47Å; V4-F6 HydrophobicContact CG1-CD1 4.2Å; V4-F6 HydrophobicContact CG1-CD2 4.41Å; V4-F6 HydrophobicContact CG1-CE1 3.65Å; V4-F6 HydrophobicContact CG1-CE2 3.89Å; V4-F6 HydrophobicContact CG1-CZ 3.49Å; V4-F6 VanDerWaalsContact CG1-CZ 3.49Å; F6-V15 HydrophobicContact CD1-CB 4.46Å; F6-V15 HydrophobicContact CD1-CG1 4.24Å; F6-V15 HydrophobicContact CD1-CG2 3.98Å; F6-V15 HydrophobicContact CE1-CB 4.46Å; F6-V15 HydrophobicContact CE1-CG1 3.88Å; F6-V15 HydrophobicContact CE1-CG2 3.97Å; F6-L122 HydrophobicContact CD2-CD2 4.42Å; F6-L125 HydrophobicContact CD1-CB 3.84Å; F6-L125 HydrophobicContact CD1-CD1 4.38Å; F6-L125 HydrophobicContact CE1-CB 3.66Å; F6-L125 HydrophobicContact CZ-CB 4.5Å; F6-C140 HydrophobicContact CD2-CB 3.84Å; F6-C140 HydrophobicContact CE2-CB 3.6Å; F6-C141 PolarHBondContact N-O 2.93Å; F6-I142 HydrophobicContact CB-CG1 4.43Å; F6-I142 HydrophobicContact CD2-CG1 4.16Å; F6-G143 PolarHBondContact O-N 2.9Å; F6-L165 HydrophobicContact CE2-CD1 3.82Å; F6-L165 HydrophobicContact CE2-CD2 4.23Å; F6-L165 HydrophobicContact CZ-CD1 4.4Å
7D98.4Very high94.6Very high19 Ų1915.6 Ų15.610%0.1029%0.087CC..EExtended strand (participates in β ladder)trans-95.2122.3156.7178.913.6000108.5G9 C13 I14 V369 A370D7-G9 PolarHBondContact OD1-N 2.9Å; D7-C13 CarbonylContact O-C 3.48Å; D7-C13 WeakPolarHBondContact O-CA 3.38Å; D7-C13 WeakPolarHBondContact O-CB 3.45Å; D7-I14 HydrophobicContact CB-CB 4.21Å; D7-I14 PolarHBondContact N-O 3.08Å; D7-I14 PolarHBondContact O-N 3.05Å; D7-V369 HydrophobicContact CB-CB 3.95Å; D7-V369 HydrophobicContact CB-CG1 3.7Å; D7-A370 HydrophobicContact CB-CB 3.99Å
8L96.4Very high94.3Very high4 Ų415.7 Ų15.72%0.0219%0.09CC..  trans-99.165.6175.8-67.5-178.7000110.4K68 M118 L122 L125 I142 V156L8-K68 WeakPolarHBondContact O-CD 3.31Å; L8-K68 WeakPolarHBondContact O-CE 3.29Å; L8-K68 PolarHBondContact O-NZ 3.41Å; L8-M118 HydrophobicContact CD1-CG 4.49Å; L8-M118 HydrophobicContact CD1-SD 4.01Å; L8-M118 HydrophobicContact CD2-SD 4.22Å; L8-L122 HydrophobicContact CD1-CD1 4.42Å; L8-L122 HydrophobicContact CD1-CD2 4.22Å; L8-L122 HydrophobicContact CD1-CG 4.43Å; L8-L122 HydrophobicContact CD2-CD2 3.92Å; L8-L122 HydrophobicContact CD2-CG 4.25Å; L8-L125 HydrophobicContact CD2-CD1 3.55Å; L8-I142 HydrophobicContact CD1-CG2 3.39Å; L8-I142 HydrophobicContact CG-CG2 3.83Å; L8-V156 HydrophobicContact CD1-CG1 4.34Å
9G95.9Very high93.8Very high14 Ų1419.8 Ų19.814%0.14410%0.103CC..  trans-63.7165.5178.300000113.8D7 E11 S12 A37D7-G9 PolarHBondContact OD1-N 2.9Å; G9-E11 VanDerWaalsContact C-N 3.29Å; G9-E11 PolarHBondContact O-N 3.3Å; G9-S12 CarbonylContact C-O 3.54Å; G9-S12 WeakPolarHBondContact CA-O 3.44Å; G9-S12 PolarHBondContact N-O 2.98Å; G9-A37 WeakPolarHBondContact O-CB 3.46Å
10N96.9Very high93Very high13 Ų1328.6 Ų28.67%0.0714%0.144CC..SBendtrans-84.21.6-178.7-167.464.2000114.1Q66 K68 R69 H203 A204N10-Q66 WeakPolarHBondContact ND2-CG 3.17Å; N10-Q66 PolarHBondContact ND2-OE1 3.17Å; N10-Q66 VanDerWaalsContact ND2-OE1 3.07Å; N10-Q66 WeakPolarHBondContact OD1-CA 3.46Å; N10-Q66 PolarHBondContact OD1-O 3.31Å; N10-K68 HydrophobicContact CB-CD 4.32Å; N10-R69 WeakPolarHBondContact OD1-CG 3.32Å; N10-H203 HydrophobicContact CB-CB 4.34Å; N10-H203 PolarHBondContact ND2-ND1 3.07Å; N10-H203 VanDerWaalsContact ND2-ND1 3.13Å; N10-H203 PolarHBondContact O-ND1 3.47Å; N10-H203 VanDerWaalsContact O-ND1 3.1Å; N10-A204 HydrophobicContact CB-CB 4.09Å; N10-A204 WeakPolarHBondContact ND2-CB 3.41Å
11E95.7Very high92.3Very high56 Ų5640 Ų4026%0.26219%0.185SC..SBendtrans-136.8-55.3-174.1171174.6-138.200109.4G9 P36 A37 H203G9-E11 VanDerWaalsContact C-N 3.29Å; G9-E11 PolarHBondContact O-N 3.3Å; E11-P36 CarbonylContact O-C 3.54Å; E11-P36 WeakPolarHBondContact O-CA 3.46Å; E11-A37 PolarHBondContact O-N 3.26Å; E11-H203 HydrophobicContact CB-CB 3.68Å; E11-H203 IonicContact OE1-CD2 3.43Å; E11-H203 IonicContact OE2-CD2 3.93Å; E11-H203 IonicContact OE2-CG 3.16Å
12S96.7Very high93.2Very high26 Ų2636.1 Ų36.118%0.18217%0.174CC..EExtended strand (participates in β ladder)trans-125.5150.1171-61.90000110.1G9 T35G9-S12 CarbonylContact C-O 3.54Å; G9-S12 WeakPolarHBondContact CA-O 3.44Å; G9-S12 PolarHBondContact N-O 2.98Å; S12-T35 CarbonylContact C-O 3.57Å; S12-T35 WeakPolarHBondContact CA-O 3.32Å
13C98.4Very high93.7Very high2 Ų236.2 Ų36.21%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-108.1155.8167.3-61.80000109.5D7 T35 L125D7-C13 CarbonylContact O-C 3.48Å; D7-C13 WeakPolarHBondContact O-CA 3.38Å; D7-C13 WeakPolarHBondContact O-CB 3.45Å; C13-T35 PolarHBondContact N-O 3.43Å; C13-T35 PolarHBondContact O-N 2.84Å; C13-L125 HydrophobicContact CB-CD1 3.59Å; C13-L125 HydrophobicContact CB-CD2 3.68Å; C13-L125 HydrophobicContact CB-CG 4.22Å
14I98.3Very high93.9Very high5 Ų539.2 Ų39.23%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-133.9139-177-58.6171.5000109.3D7 V25 E34 S366 A370D7-I14 HydrophobicContact CB-CB 4.21Å; D7-I14 PolarHBondContact N-O 3.08Å; D7-I14 PolarHBondContact O-N 3.05Å; I14-V25 HydrophobicContact CG2-CB 4.49Å; I14-V25 HydrophobicContact CG2-CG1 3.52Å; I14-V25 HydrophobicContact CG2-CG2 4.09Å; I14-E34 HydrophobicContact CD1-CG 4.08Å; I14-E34 HydrophobicContact CG1-CG 4.12Å; I14-S366 WeakPolarHBondContact CD1-O 3.45Å; I14-A370 HydrophobicContact CB-CB 3.93Å; I14-A370 HydrophobicContact CG2-CB 3.65Å
15V98.5Very high93.9Very high4 Ų439.5 Ų39.52%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-112.5126.5179.7-175.70000109.2V4 F6 V17 V25 V26 L125 I128 A129V4-V15 HydrophobicContact CG1-CG1 4.06Å; F6-V15 HydrophobicContact CD1-CB 4.46Å; F6-V15 HydrophobicContact CD1-CG1 4.24Å; F6-V15 HydrophobicContact CD1-CG2 3.98Å; F6-V15 HydrophobicContact CE1-CB 4.46Å; F6-V15 HydrophobicContact CE1-CG1 3.88Å; F6-V15 HydrophobicContact CE1-CG2 3.97Å; V15-V17 HydrophobicContact CG1-CG1 4.44Å; V15-V25 WeakPolarHBondContact O-CA 3.32Å; V15-V26 HydrophobicContact CB-CG2 3.6Å; V15-V26 HydrophobicContact CG1-CG2 3.6Å; V15-V26 PolarHBondContact O-N 2.64Å; V15-V26 VanDerWaalsContact O-N 3.07Å; V15-L125 HydrophobicContact CG2-CB 3.98Å; V15-L125 HydrophobicContact CG2-CD2 3.61Å; V15-L125 HydrophobicContact CG2-CG 4.36Å; V15-I128 HydrophobicContact CG2-CG2 4.25Å; V15-A129 HydrophobicContact CG1-CB 3.88Å
16A97.9Very high93.7Very high0 Ų039.9 Ų39.90%019%0.194CC..EExtended strand (participates in β ladder)trans-122.5147.3172.200000111.1V4 G5 I23 D24 V25 A370 A374V4-A16 CarbonylContact C-O 3.58Å; V4-A16 WeakPolarHBondContact CA-O 3.17Å; G5-A16 PolarHBondContact N-O 3.06Å; G5-A16 PolarHBondContact O-N 2.91Å; A16-I23 HydrophobicContact CB-CG2 4.11Å; A16-D24 CarbonylContact C-O 3.59Å; A16-D24 WeakPolarHBondContact CA-O 3.23Å; A16-V25 HydrophobicContact CB-CG2 4.04Å; A16-A370 HydrophobicContact CB-CB 3.88Å; A16-A370 WeakPolarHBondContact CB-O 3.21Å; A16-A374 HydrophobicContact CB-CB 3.83Å
17V96.1Very high93.7Very high0 Ų043.9 Ų43.90%021%0.214CC..EExtended strand (participates in β ladder)trans-137.7156.5-177-55.20000111.4V3 V4 V15 R19 I23 D24 V26 L133V3-V17 WeakPolarHBondContact O-CA 3.37Å; V4-V17 HydrophobicContact CG1-CG1 4.37Å; V4-V17 HydrophobicContact CG2-CG1 4.24Å; V15-V17 HydrophobicContact CG1-CG1 4.44Å; V17-R19 HydrophobicContact CG2-CG 4.04Å; V17-I23 WeakPolarHBondContact O-CA 3.41Å; V17-D24 PolarHBondContact N-O 3.38Å; V17-D24 PolarHBondContact O-N 2.97Å; V17-V26 HydrophobicContact CB-CG1 4.24Å; V17-V26 HydrophobicContact CG1-CG1 3.79Å; V17-V26 HydrophobicContact CG2-CG1 3.43Å; V17-V26 VanDerWaalsContact CG2-CG1 3.43Å; V17-L133 HydrophobicContact CB-CD1 4.19Å; V17-L133 HydrophobicContact CB-CD2 4.03Å; V17-L133 HydrophobicContact CB-CG 4.37Å; V17-L133 HydrophobicContact CG1-CD1 3.91Å; V17-L133 HydrophobicContact CG1-CD2 4.36Å; V17-L133 HydrophobicContact CG1-CG 4.16Å; V17-L133 HydrophobicContact CG2-CD2 3.88Å
18A90.9Very high93.5Very high17 Ų1743.5 Ų43.514%0.1421%0.212CC..EExtended strand (participates in β ladder)trans-80.6127.9170.800000111.9V3 G22 I23 F384V3-A18 HydrophobicContact CB-CB 3.83Å; V3-A18 HydrophobicContact CG1-CB 3.72Å; V3-A18 PolarHBondContact O-N 3.34Å; A18-G22 WeakPolarHBondContact CA-O 3.41Å; A18-I23 HydrophobicContact CB-CD1 3.84Å; A18-F384 HydrophobicContact CB-CD1 4.18Å; A18-F384 HydrophobicContact CB-CE1 3.65Å; A18-F384 HydrophobicContact CB-CZ 4.2Å
19R84Confident93.3Very high94 Ų9448.3 Ų48.336%0.35524%0.235SC..EExtended strand (participates in β ladder)trans-145.8141.3-179.3-86.3173.2174-91.6-7.9109.8V17 R21 G22 D24 N132V17-R19 HydrophobicContact CG2-CG 4.04Å; R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 3.3Å; R19-G22 PolarHBondContact N-O 2.82Å; R19-G22 CarbonylContact O-C 3.54Å; R19-G22 WeakPolarHBondContact O-CA 3.35Å; R19-G22 PolarHBondContact O-N 2.99Å; R19-D24 WeakPolarHBondContact CB-OD2 3.31Å; R19-N132 PolarHBondContact NE-OD1 3.15Å; R19-N132 PolarHBondContact NH2-O 3.04Å; R19-N132 PolarHBondContact NH2-OD1 3.3Å
20Q76.9Confident93.3Very high194 Ų19451.7 Ų51.791%0.90725%0.247SC*.THydrogen-bonded Turntrans43.844.5166.9-58.9-172.8-1.800116.3G22Q20-G22 VanDerWaalsContact C-N 3.29Å; Q20-G22 PolarHBondContact O-N 2.86Å
21R79.3Confident93.2Very high269 Ų26955.4 Ų55.4100%1.01527%0.273SS*.THydrogen-bonded Turntrans69.510.9-176.3-47.2178.7178.6-176.7-0.3116.1R19R19-R21 VanDerWaalsContact C-N 3.31Å; R19-R21 PolarHBondContact O-N 3.3Å
22G89.2Confident93.3Very high30 Ų3057.4 Ų57.431%0.30928%0.281SS..EExtended strand (participates in β ladder)trans-133.7-165174.100000112.9A18 R19 Q20A18-G22 WeakPolarHBondContact CA-O 3.41Å; R19-G22 PolarHBondContact N-O 2.82Å; R19-G22 CarbonylContact O-C 3.54Å; R19-G22 WeakPolarHBondContact O-CA 3.35Å; R19-G22 PolarHBondContact O-N 2.99Å; Q20-G22 VanDerWaalsContact C-N 3.29Å; Q20-G22 PolarHBondContact O-N 2.86Å
23I93.8Very high93.3Very high11 Ų1161 Ų616%0.05629%0.291CS..EExtended strand (participates in β ladder)trans-125.4129.5177.6-60.2-60.7000108.6A16 V17 A18 R371 A374 L375A16-I23 HydrophobicContact CB-CG2 4.11Å; V17-I23 WeakPolarHBondContact O-CA 3.41Å; A18-I23 HydrophobicContact CB-CD1 3.84Å; I23-R371 HydrophobicContact CG2-CB 4.32Å; I23-R371 HydrophobicContact CG2-CG 4.23Å; I23-R371 PolarHBondContact O-NH1 3.32Å; I23-A374 HydrophobicContact CD1-CB 4.08Å; I23-A374 HydrophobicContact CG2-CB 3.65Å; I23-L375 HydrophobicContact CD1-CD2 4.38Å; I23-L375 HydrophobicContact CG1-CD2 3.61Å; I23-L375 HydrophobicContact CG1-CG 3.92Å
24D94.3Very high93.2Very high66 Ų6664.8 Ų64.835%0.35331%0.308SS..EExtended strand (participates in β ladder)trans-120.5141-180-74-45.3000111.6A16 V17 R19A16-D24 CarbonylContact C-O 3.59Å; A16-D24 WeakPolarHBondContact CA-O 3.23Å; V17-D24 PolarHBondContact N-O 3.38Å; V17-D24 PolarHBondContact O-N 2.97Å; R19-D24 WeakPolarHBondContact CB-OD2 3.31Å
25V96.6Very high93.2Very high5 Ų564.7 Ų64.73%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-84.7120.3165.2172.10000108.7I14 V15 A16 R33 E367 R371I14-V25 HydrophobicContact CG2-CB 4.49Å; I14-V25 HydrophobicContact CG2-CG1 3.52Å; I14-V25 HydrophobicContact CG2-CG2 4.09Å; V15-V25 WeakPolarHBondContact O-CA 3.32Å; A16-V25 HydrophobicContact CB-CG2 4.04Å; V25-R33 HydrophobicContact CG1-CB 3.89Å; V25-R33 HydrophobicContact CG1-CG 3.78Å; V25-R33 PolarHBondContact O-NE 3.05Å; V25-R33 VanDerWaalsContact O-NE 3.15Å; V25-R33 PolarHBondContact O-NH2 3.17Å; V25-E367 HydrophobicContact CB-CG 4.21Å; V25-E367 HydrophobicContact CG1-CG 4.31Å; V25-E367 HydrophobicContact CG2-CB 3.8Å; V25-E367 HydrophobicContact CG2-CG 3.79Å; V25-R371 HydrophobicContact CG2-CG 3.89Å
26V95.8Very high93.2Very high9 Ų966 Ų666%0.05532%0.316CS..PPolyproline II helixtrans-79.6165-175.5-55.70000111.3V15 V17 I128 N132V15-V26 HydrophobicContact CB-CG2 3.6Å; V15-V26 HydrophobicContact CG1-CG2 3.6Å; V15-V26 PolarHBondContact O-N 2.64Å; V15-V26 VanDerWaalsContact O-N 3.07Å; V17-V26 HydrophobicContact CB-CG1 4.24Å; V17-V26 HydrophobicContact CG1-CG1 3.79Å; V17-V26 HydrophobicContact CG2-CG1 3.43Å; V17-V26 VanDerWaalsContact CG2-CG1 3.43Å; V26-I128 HydrophobicContact CG2-CG2 3.81Å; V26-N132 HydrophobicContact CB-CB 4.13Å; V26-N132 HydrophobicContact CG1-CB 4.09Å; V26-N132 VanDerWaalsContact CG1-CG 3.45Å; V26-N132 WeakPolarHBondContact CG1-OD1 3.49Å
27L97Very high93.2Very high84 Ų8466.4 Ų66.444%0.4432%0.32SS..PPolyproline II helixtrans-99147175.1-54.2-176.8000110.2K32 R33L27-K32 CarbonylContact C-O 3.58Å; L27-K32 WeakPolarHBondContact CA-O 3.41Å; L27-R33 HydrophobicContact CD2-CG 3.57Å
28N95.9Very high93.3Very high11 Ų1167 Ų676%0.05932%0.323CS..  trans-87.3-174.5171.275.47.6000112.1E30 S31 K32 T35 T50 I128N28-E30 PolarHBondContact O-N 2.87Å; N28-E30 PolarHBondContact OD1-N 3.21Å; N28-S31 WeakPolarHBondContact O-CA 3.44Å; N28-S31 PolarHBondContact O-N 2.84Å; N28-S31 PolarHBondContact OD1-N 2.94Å; N28-K32 PolarHBondContact N-O 2.67Å; N28-K32 WeakPolarHBondContact OD1-CB 3.28Å; N28-K32 PolarHBondContact OD1-N 2.94Å; N28-K32 PolarHBondContact OD1-O 3.14Å; N28-T35 WeakPolarHBondContact CB-OG1 3.04Å; N28-T35 PolarHBondContact ND2-OG1 2.58Å; N28-T50 PolarHBondContact ND2-OG1 3.23Å; N28-I128 HydrophobicContact CB-CD1 3.76Å; N28-I128 HydrophobicContact CB-CG1 4.2Å; N28-I128 HydrophobicContact CB-CG2 4.45Å
29E92.1Very high93.6Very high104 Ų10466.2 Ų66.249%0.48632%0.317SS..THydrogen-bonded Turntrans-57.8-27.4-178.265.5-71162.300114.8S31 T50E29-S31 VanDerWaalsContact C-N 3.34Å; E29-T50 WeakPolarHBondContact OE1-CB 3.36Å; E29-T50 PolarHBondContact OE1-OG1 2.83Å
30E94.2Very high94.3Very high86 Ų8661.8 Ų61.840%0.40230%0.3SS..THydrogen-bonded Turntrans-95.619.2174.3-70.6-172.5-149.800112.9N28 K32 T50N28-E30 PolarHBondContact O-N 2.87Å; N28-E30 PolarHBondContact OD1-N 3.21Å; E30-K32 HydrophobicContact CB-CD 4.05Å; E30-K32 HydrophobicContact CB-CG 4.44Å; E30-K32 PolarHBondContact O-N 3.07Å; E30-K32 WeakPolarHBondContact OE2-CE 3.42Å; E30-K32 IonicContact OE2-NZ 3.75Å; E30-K32 PolarHBondContact OE2-NZ 3.49Å; E30-T50 HydrophobicContact CB-CG2 4.27Å; E30-T50 HydrophobicContact CG-CG2 4.07Å; E30-T50 WeakPolarHBondContact OE1-CB 3.33Å; E30-T50 VanDerWaalsContact OE1-CG2 3.23Å; E30-T50 WeakPolarHBondContact OE1-CG2 3.38Å; E30-T50 WeakPolarHBondContact OE2-CG2 3.46Å
31S96.5Very high95.3Very high90 Ų9052.6 Ų52.663%0.62926%0.257SS*.SBendtrans58.525.9-175.9-61.20000114.8N28 E29N28-S31 WeakPolarHBondContact O-CA 3.44Å; N28-S31 PolarHBondContact O-N 2.84Å; N28-S31 PolarHBondContact OD1-N 2.94Å; E29-S31 VanDerWaalsContact C-N 3.34Å
32K96.3Very high96.1Very high98 Ų9840 Ų4043%0.42621%0.212SC..  trans-101149.9179.7-66.8163.2-175.2170.30111.6L27 N28 E30 T50L27-K32 CarbonylContact C-O 3.58Å; L27-K32 WeakPolarHBondContact CA-O 3.41Å; N28-K32 PolarHBondContact N-O 2.67Å; N28-K32 WeakPolarHBondContact OD1-CB 3.28Å; N28-K32 PolarHBondContact OD1-N 2.94Å; N28-K32 PolarHBondContact OD1-O 3.14Å; E30-K32 HydrophobicContact CB-CD 4.05Å; E30-K32 HydrophobicContact CB-CG 4.44Å; E30-K32 PolarHBondContact O-N 3.07Å; E30-K32 WeakPolarHBondContact OE2-CE 3.42Å; E30-K32 IonicContact OE2-NZ 3.75Å; E30-K32 PolarHBondContact OE2-NZ 3.49Å; K32-T50 HydrophobicContact CD-CG2 4.22Å
33R96.7Very high96.4Very high102 Ų10243.8 Ų43.839%0.38523%0.225SC..SBendtrans-83.2-19.4174.3-78.3-164.4155.8155.76.6114.6V25 L27 E367V25-R33 HydrophobicContact CG1-CB 3.89Å; V25-R33 HydrophobicContact CG1-CG 3.78Å; V25-R33 PolarHBondContact O-NE 3.05Å; V25-R33 VanDerWaalsContact O-NE 3.15Å; V25-R33 PolarHBondContact O-NH2 3.17Å; L27-R33 HydrophobicContact CD2-CG 3.57Å; R33-E367 WeakPolarHBondContact CD-OE1 3.45Å; R33-E367 IonicContact CZ-OE1 2.64Å; R33-E367 IonicContact CZ-OE2 2.75Å; R33-E367 IonicContact NE-OE1 3.38Å; R33-E367 IonicContact NH1-OE1 3.47Å; R33-E367 PolarHBondContact NH1-OE1 2.96Å; R33-E367 IonicContact NH1-OE2 3.67Å; R33-E367 PolarHBondContact NH1-OE2 3.23Å
34E96.9Very high96.4Very high81 Ų8147.6 Ų47.638%0.37924%0.241SC..  trans-113.3121.9-179.3-67.9-176.7-169.100108.6I14 S366I14-E34 HydrophobicContact CD1-CG 4.08Å; I14-E34 HydrophobicContact CG1-CG 4.12Å; E34-S366 WeakPolarHBondContact OE1-CB 3.49Å; E34-S366 PolarHBondContact OE1-OG 3.48Å
35T98.3Very high96.5Very high4 Ų445.7 Ų45.73%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-109119.7-179.3-59.80000109.8S12 C13 N28 A37 I128S12-T35 CarbonylContact C-O 3.57Å; S12-T35 WeakPolarHBondContact CA-O 3.32Å; C13-T35 PolarHBondContact N-O 3.43Å; C13-T35 PolarHBondContact O-N 2.84Å; N28-T35 WeakPolarHBondContact CB-OG1 3.04Å; N28-T35 PolarHBondContact ND2-OG1 2.58Å; T35-A37 PolarHBondContact O-N 2.77Å; T35-I128 HydrophobicContact CG2-CD1 3.94Å
36P97.8Very high96.6Very high30 Ų3045.9 Ų45.920%0.19523%0.23CC..EExtended strand (participates in β ladder)trans-55.8134.4-175.5-30.637.7000114.9E11 I38 G49 A53E11-P36 CarbonylContact O-C 3.54Å; E11-P36 WeakPolarHBondContact O-CA 3.46Å; P36-I38 HydrophobicContact CB-CG2 3.82Å; P36-I38 PolarHBondContact O-N 2.69Å; P36-G49 WeakPolarHBondContact O-CA 3.45Å; P36-A53 HydrophobicContact CB-CB 3.83Å; P36-A53 HydrophobicContact CG-CB 3.74Å
37A98Very high96.7Very high9 Ų948.5 Ų48.57%0.07424%0.241CC..  trans-8062.4-179.500000111.7G9 E11 T35G9-A37 WeakPolarHBondContact O-CB 3.46Å; E11-A37 PolarHBondContact O-N 3.26Å; T35-A37 PolarHBondContact O-N 2.77Å
38I98.1Very high96.8Very high14 Ų1445.6 Ų45.67%0.07223%0.225CC..EExtended strand (participates in β ladder)trans-139.5145.9-169.9-166.5169.4000112.7P36 G49 A53 V64P36-I38 HydrophobicContact CB-CG2 3.82Å; P36-I38 PolarHBondContact O-N 2.69Å; I38-G49 WeakPolarHBondContact CG2-O 3.29Å; I38-G49 PolarHBondContact O-N 3.4Å; I38-A53 HydrophobicContact CG2-CB 4.18Å; I38-V64 WeakPolarHBondContact CA-O 3.34Å; I38-V64 WeakPolarHBondContact CG1-O 3.22Å
39V98.5Very high96.8Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-126.2117.2170.3-179.20000108.9F41 I48 S63 V64 I67 L117 M120 V121V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CG1-CD2 4.16Å; V39-F41 HydrophobicContact CG1-CE1 4.11Å; V39-F41 HydrophobicContact CG1-CE2 3.62Å; V39-F41 HydrophobicContact CG1-CZ 3.59Å; V39-I48 HydrophobicContact CG1-CG1 4.38Å; V39-I48 HydrophobicContact CG2-CG1 4.46Å; V39-I48 HydrophobicContact CG2-CG2 4.35Å; V39-S63 CarbonylContact O-C 3.58Å; V39-V64 PolarHBondContact N-O 3.02Å; V39-V64 PolarHBondContact O-N 3.21Å; V39-I67 HydrophobicContact CG2-CD1 4.07Å; V39-L117 HydrophobicContact CB-CD2 4.44Å; V39-M120 HydrophobicContact CG1-SD 3.76Å; V39-M120 HydrophobicContact CG2-CB 3.91Å; V39-M120 HydrophobicContact CG2-SD 4.37Å; V39-V121 HydrophobicContact CG2-CG2 4.04Å
40C98.1Very high97.1Very high1 Ų140.5 Ų40.51%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-105.2119.4172.3170.10000109.9F47 S55 N59 N62 S63C40-F47 HydrophobicContact CB-CB 4.22Å; C40-F47 PolarHBondContact N-O 2.81Å; C40-F47 PolarHBondContact O-N 2.77Å; C40-S55 VanDerWaalsContact SG-CB 3.53Å; C40-N59 PolarHBondContact SG-ND2 2.68Å; C40-N59 VanDerWaalsContact SG-ND2 3.38Å; C40-N62 WeakPolarHBondContact CA-O 3.46Å; C40-S63 PolarHBondContact SG-OG 2.99Å
41F98.3Very high97.1Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-87.9120.8175.9-61.7-89.3000110.5V39 R46 N59 N62 V64 A103 R104 Y105 F112 L117 M120V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CG1-CD2 4.16Å; V39-F41 HydrophobicContact CG1-CE1 4.11Å; V39-F41 HydrophobicContact CG1-CE2 3.62Å; V39-F41 HydrophobicContact CG1-CZ 3.59Å; F41-R46 HydrophobicContact CD1-CG 3.97Å; F41-R46 HydrophobicContact CE1-CG 4.14Å; F41-N59 PolarHBondContact O-ND2 2.81Å; F41-N62 HydrophobicContact CB-CB 4.32Å; F41-N62 PolarHBondContact N-O 3.16Å; F41-N62 WeakPolarHBondContact O-CB 3.46Å; F41-V64 HydrophobicContact CD2-CG2 4.49Å; F41-V64 HydrophobicContact CE2-CG2 4.09Å; F41-A103 HydrophobicContact CB-CB 4.19Å; F41-A103 HydrophobicContact CD2-CB 3.42Å; F41-A103 VanDerWaalsContact CD2-CB 3.42Å; F41-A103 HydrophobicContact CE2-CB 4Å; F41-A103 HydrophobicContact CG-CB 3.94Å; F41-R104 VanDerWaalsContact CB-O 3.26Å; F41-R104 WeakPolarHBondContact CB-O 3.29Å; F41-Y105 HydrophobicContact CB-CD2 4.14Å; F41-Y105 HydrophobicContact CB-CG 4.45Å; F41-Y105 AromaticContact CD1-CD2 3.83Å; F41-Y105 HydrophobicContact CD1-CD2 3.83Å; F41-Y105 AromaticContact CD1-CG 3.84Å; F41-Y105 HydrophobicContact CD1-CG 3.84Å; F41-Y105 HydrophobicContact CG-CD2 4.49Å; F41-F112 HydrophobicContact CD1-CE2 4.07Å; F41-F112 HydrophobicContact CD1-CZ 4.11Å; F41-F112 HydrophobicContact CE1-CD2 4.19Å; F41-F112 HydrophobicContact CE1-CE1 4.04Å; F41-F112 AromaticContact CE1-CE2 3.51Å; F41-F112 HydrophobicContact CE1-CE2 3.51Å; F41-F112 AromaticContact CE1-CZ 3.42Å; F41-F112 HydrophobicContact CE1-CZ 3.42Å; F41-F112 VanDerWaalsContact CE1-CZ 3.42Å; F41-F112 HydrophobicContact CE2-CD2 4.26Å; F41-F112 HydrophobicContact CE2-CE2 4.19Å; F41-F112 HydrophobicContact CZ-CD1 4.47Å; F41-F112 AromaticContact CZ-CD2 3.78Å; F41-F112 HydrophobicContact CZ-CD2 3.78Å; F41-F112 HydrophobicContact CZ-CE1 4.29Å; F41-F112 AromaticContact CZ-CE2 3.57Å; F41-F112 HydrophobicContact CZ-CE2 3.57Å; F41-F112 HydrophobicContact CZ-CG 4.23Å; F41-F112 AromaticContact CZ-CZ 3.85Å; F41-F112 HydrophobicContact CZ-CZ 3.85Å; F41-L117 HydrophobicContact CE2-CD2 3.8Å; F41-L117 HydrophobicContact CZ-CD2 3.76Å; F41-M120 HydrophobicContact CE1-CE 4.09Å; F41-M120 HydrophobicContact CE1-SD 3.92Å; F41-M120 HydrophobicContact CZ-CE 3.91Å; F41-M120 HydrophobicContact CZ-SD 3.72Å
42G95.8Very high97.2Very high6 Ų634 Ų346%0.06217%0.168CC..  trans-104.5-179174.800000113.1K44 Q45 Y105 L106G42-K44 VanDerWaalsContact C-N 3.29Å; G42-K44 PolarHBondContact O-N 2.89Å; G42-Q45 WeakPolarHBondContact CA-O 3.48Å; G42-Q45 PolarHBondContact N-O 2.9Å; G42-Y105 WeakPolarHBondContact O-CD2 3.45Å; G42-L106 PolarHBondContact O-N 2.94Å
43D94.7Very high97.1Very high109 Ų10930.8 Ų30.858%0.58316%0.16SC*.SBendtrans-78.3-8.7-177-58.1-70.3000114.2L106D43-L106 WeakPolarHBondContact O-CA 3.5Å
44K94.9Very high97Very high91 Ų9129.5 Ų29.540%0.39617%0.171SC..SBendtrans-131.7-30.6-179.5-62.4177.6-176.3173.10114.9G42 L106 Q607 M611 D665G42-K44 VanDerWaalsContact C-N 3.29Å; G42-K44 PolarHBondContact O-N 2.89Å; K44-L106 VanDerWaalsContact C-CD2 3.41Å; K44-L106 VanDerWaalsContact O-CD2 3.28Å; K44-L106 WeakPolarHBondContact O-CD2 3.44Å; K44-Q607 PolarHBondContact O-NE2 3.03Å; K44-M611 HydrophobicContact CB-CE 4.06Å; K44-M611 HydrophobicContact CB-CG 4.38Å; K44-M611 HydrophobicContact CB-SD 4.3Å; K44-M611 HydrophobicContact CD-CE 3.94Å; K44-M611 WeakPolarHBondContact O-CG 3.33Å; K44-D665 VanDerWaalsContact CE-OD2 3.31Å; K44-D665 WeakPolarHBondContact CE-OD2 3.21Å; K44-D665 IonicContact NZ-OD1 3.95Å; K44-D665 PolarHBondContact NZ-OD1 3.45Å; K44-D665 IonicContact NZ-OD2 2.69Å; K44-D665 PolarHBondContact NZ-OD2 3.04Å
45Q96.8Very high96.8Very high25 Ų2527.2 Ų27.212%0.11716%0.164CC..SBendtrans-152.4170.6-179.570.6-177.532.200110.9G42 F47 M611G42-Q45 WeakPolarHBondContact CA-O 3.48Å; G42-Q45 PolarHBondContact N-O 2.9Å; Q45-F47 HydrophobicContact CG-CE1 4.06Å; Q45-F47 HydrophobicContact CG-CE2 4.06Å; Q45-F47 HydrophobicContact CG-CZ 3.79Å; Q45-M611 HydrophobicContact CB-CB 4.15Å; Q45-M611 HydrophobicContact CB-CG 4.25Å
46R98.1Very high96.4Very high10 Ų1028 Ų284%0.03817%0.17CC..EExtended strand (participates in β ladder)trans-87.1146.5167-53.2179.3-63.1175.4-0.5109.6F41 I48 Y105 M120 E601 D608F41-R46 HydrophobicContact CD1-CG 3.97Å; F41-R46 HydrophobicContact CE1-CG 4.14Å; R46-I48 HydrophobicContact CB-CD1 4.48Å; R46-I48 HydrophobicContact CB-CG1 4.3Å; R46-Y105 HydrophobicContact CG-CD2 4.29Å; R46-Y105 HydrophobicContact CG-CE2 3.63Å; R46-M120 VanDerWaalsContact NH1-CG 3.27Å; R46-M120 PolarHBondContact NH1-SD 2.9Å; R46-E601 IonicContact CZ-OE1 3.6Å; R46-E601 IonicContact CZ-OE2 3.11Å; R46-E601 VanDerWaalsContact NH1-CD 3.26Å; R46-E601 IonicContact NH1-OE1 2.8Å; R46-E601 PolarHBondContact NH1-OE1 2.78Å; R46-E601 IonicContact NH1-OE2 2.76Å; R46-E601 PolarHBondContact NH1-OE2 3.26Å; R46-E601 IonicContact NH2-OE1 3.7Å; R46-E601 PolarHBondContact NH2-OE1 2.6Å; R46-E601 IonicContact NH2-OE2 2.65Å; R46-D608 WeakPolarHBondContact CB-OD1 3.43Å; R46-D608 IonicContact CZ-OD2 2.7Å; R46-D608 PolarHBondContact N-OD1 3.39Å; R46-D608 IonicContact NE-OD1 3.79Å; R46-D608 IonicContact NE-OD2 3.93Å; R46-D608 PolarHBondContact NE-OD2 3.19Å; R46-D608 IonicContact NH2-OD2 3.88Å; R46-D608 PolarHBondContact NH2-OD2 3.19Å
47F97.8Very high96Very high64 Ų6428.7 Ų28.728%0.28117%0.173SC..EExtended strand (participates in β ladder)trans-116.1111.5169.8-57.6-88.1000107.6C40 Q45 A51 G52C40-F47 HydrophobicContact CB-CB 4.22Å; C40-F47 PolarHBondContact N-O 2.81Å; C40-F47 PolarHBondContact O-N 2.77Å; Q45-F47 HydrophobicContact CG-CE1 4.06Å; Q45-F47 HydrophobicContact CG-CE2 4.06Å; Q45-F47 HydrophobicContact CG-CZ 3.79Å; F47-A51 HydrophobicContact CB-CB 4.3Å; F47-A51 HydrophobicContact CD1-CB 4.27Å; F47-G52 WeakPolarHBondContact O-CA 3.41Å
48I98.2Very high95.6Very high23 Ų2334.8 Ų34.812%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-111.9155-176-51.7164.7000107.8V39 R46 T50 G52 M120 N124V39-I48 HydrophobicContact CG1-CG1 4.38Å; V39-I48 HydrophobicContact CG2-CG1 4.46Å; V39-I48 HydrophobicContact CG2-CG2 4.35Å; R46-I48 HydrophobicContact CB-CD1 4.48Å; R46-I48 HydrophobicContact CB-CG1 4.3Å; I48-T50 PolarHBondContact O-N 2.78Å; I48-G52 PolarHBondContact O-N 2.78Å; I48-M120 HydrophobicContact CD1-CB 3.97Å; I48-N124 HydrophobicContact CB-CB 4.06Å; I48-N124 HydrophobicContact CG2-CB 3.48Å; I48-N124 VanDerWaalsContact CG2-CB 3.48Å
49G97.8Very high95.4Very high0 Ų036 Ų360%021%0.208CC..Hα-helixtrans67.9-133.4175.600000112.3P36 I38 G52 A53P36-G49 WeakPolarHBondContact O-CA 3.45Å; I38-G49 WeakPolarHBondContact CG2-O 3.29Å; I38-G49 PolarHBondContact O-N 3.4Å; G49-G52 PolarHBondContact O-N 2.83Å; G49-G52 VanDerWaalsContact O-N 3.16Å; G49-A53 PolarHBondContact O-N 3.01Å
50T97Very high95.2Very high7 Ų736.9 Ų36.94%0.04321%0.214CC..Hα-helixtrans-68.3-40.4-173.1-23.20000112.1N28 E29 E30 K32 I48 G52 A53 A54N28-T50 PolarHBondContact ND2-OG1 3.23Å; E29-T50 WeakPolarHBondContact OE1-CB 3.36Å; E29-T50 PolarHBondContact OE1-OG1 2.83Å; E30-T50 HydrophobicContact CB-CG2 4.27Å; E30-T50 HydrophobicContact CG-CG2 4.07Å; E30-T50 WeakPolarHBondContact OE1-CB 3.33Å; E30-T50 VanDerWaalsContact OE1-CG2 3.23Å; E30-T50 WeakPolarHBondContact OE1-CG2 3.38Å; E30-T50 WeakPolarHBondContact OE2-CG2 3.46Å; K32-T50 HydrophobicContact CD-CG2 4.22Å; I48-T50 PolarHBondContact O-N 2.78Å; T50-G52 VanDerWaalsContact C-N 3.29Å; T50-G52 PolarHBondContact O-N 3.05Å; T50-A53 WeakPolarHBondContact O-CB 3.44Å; T50-A53 PolarHBondContact O-N 2.99Å; T50-A53 VanDerWaalsContact O-N 3.14Å; T50-A54 PolarHBondContact O-N 3.24Å
51A95.5Very high95Very high39 Ų3943.7 Ų43.732%0.32224%0.244SC..Hα-helixtrans-60.9-36.4171.300000112.8F47 A54 S55F47-A51 HydrophobicContact CB-CB 4.3Å; F47-A51 HydrophobicContact CD1-CB 4.27Å; A51-A54 PolarHBondContact O-N 2.88Å; A51-S55 PolarHBondContact O-N 2.8Å; A51-S55 VanDerWaalsContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.04Å
52G96.7Very high94.9Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-65.1-40.1174.200000112.7F47 I48 G49 T50 S56F47-G52 WeakPolarHBondContact O-CA 3.41Å; I48-G52 PolarHBondContact O-N 2.78Å; G49-G52 PolarHBondContact O-N 2.83Å; G49-G52 VanDerWaalsContact O-N 3.16Å; T50-G52 VanDerWaalsContact C-N 3.29Å; T50-G52 PolarHBondContact O-N 3.05Å; G52-S56 PolarHBondContact O-N 3.45Å
53A95Very high95Very high32 Ų3245 Ų4526%0.26425%0.25SC..Hα-helixtrans-66.4-42.9175.100000112.2P36 I38 G49 T50 S55 S56P36-A53 HydrophobicContact CB-CB 3.83Å; P36-A53 HydrophobicContact CG-CB 3.74Å; I38-A53 HydrophobicContact CG2-CB 4.18Å; G49-A53 PolarHBondContact O-N 3.01Å; T50-A53 WeakPolarHBondContact O-CB 3.44Å; T50-A53 PolarHBondContact O-N 2.99Å; T50-A53 VanDerWaalsContact O-N 3.14Å; A53-S55 PolarHBondContact O-N 3.24Å; A53-S56 WeakPolarHBondContact O-CB 3.45Å; A53-S56 PolarHBondContact O-N 3.49Å; A53-S56 PolarHBondContact O-OG 2.87Å
54A94.4Very high95.2Very high74 Ų7439.9 Ų39.961%0.61222%0.222SC*.Hα-helixtrans-58.7-45177.100000112.3T50 A51 S56T50-A54 PolarHBondContact O-N 3.24Å; A51-A54 PolarHBondContact O-N 2.88Å; A54-S56 VanDerWaalsContact C-N 3.3Å; A54-S56 PolarHBondContact O-N 3.17Å
55S92.1Very high95.2Very high33 Ų3337.1 Ų37.123%0.23122%0.215CC..Hα-helixtrans-67.9-24.9177.5-63.10000114.1C40 A51 A53 T57 M58 N59C40-S55 VanDerWaalsContact SG-CB 3.53Å; A51-S55 PolarHBondContact O-N 2.8Å; A51-S55 VanDerWaalsContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.04Å; A53-S55 PolarHBondContact O-N 3.24Å; S55-T57 VanDerWaalsContact C-N 3.34Å; S55-T57 PolarHBondContact O-N 2.79Å; S55-M58 PolarHBondContact O-N 3.07Å; S55-M58 VanDerWaalsContact O-N 3.07Å; S55-N59 PolarHBondContact O-N 3.01Å
56S91.3Very high95.2Very high22 Ų2237.8 Ų37.815%0.15422%0.218CC..Hα-helixtrans-60.2-33.9-162.969.20000116G52 A53 A54 M58 N59 P60 S63G52-S56 PolarHBondContact O-N 3.45Å; A53-S56 WeakPolarHBondContact O-CB 3.45Å; A53-S56 PolarHBondContact O-N 3.49Å; A53-S56 PolarHBondContact O-OG 2.87Å; A54-S56 VanDerWaalsContact C-N 3.3Å; A54-S56 PolarHBondContact O-N 3.17Å; S56-M58 VanDerWaalsContact C-N 3.32Å; S56-M58 PolarHBondContact O-N 3.06Å; S56-N59 CarbonylContact O-C 3.26Å; S56-P60 WeakPolarHBondContact O-CA 3.35Å; S56-S63 WeakPolarHBondContact CA-OG 3.38Å
57T88.7Confident95.2Very high43 Ų4337.4 Ų37.426%0.26422%0.216SC..THydrogen-bonded Turntrans-74.9-23.2-178.8-65.80000112.5S55 R259 R263S55-T57 VanDerWaalsContact C-N 3.34Å; S55-T57 PolarHBondContact O-N 2.79Å; T57-R259 HydrophobicContact CG2-CG 4.38Å; T57-R263 HydrophobicContact CG2-CG 4.05Å
58M90.6Very high95.2Very high138 Ų13835.4 Ų35.468%0.6821%0.207SC*.THydrogen-bonded Turntrans-93.5-27.9175.9-65-58.8-68.800112.3S55 S56 P60 R259S55-M58 PolarHBondContact O-N 3.07Å; S55-M58 VanDerWaalsContact O-N 3.07Å; S56-M58 VanDerWaalsContact C-N 3.32Å; S56-M58 PolarHBondContact O-N 3.06Å; M58-P60 WeakPolarHBondContact O-CD 3.3Å; M58-R259 PolarHBondContact SD-NH2 3.49Å
59N93.2Very high95.1Very high39 Ų3934.9 Ų34.921%0.20920%0.204CC..SBendtrans-119.755.6-179.5-166.211.5000114C40 F41 S55 S56 K61 N62 S63C40-N59 PolarHBondContact SG-ND2 2.68Å; C40-N59 VanDerWaalsContact SG-ND2 3.38Å; F41-N59 PolarHBondContact O-ND2 2.81Å; S55-N59 PolarHBondContact O-N 3.01Å; S56-N59 CarbonylContact O-C 3.26Å; N59-K61 PolarHBondContact O-N 2.9Å; N59-N62 PolarHBondContact O-N 2.88Å; N59-N62 WeakPolarHBondContact OD1-CB 3.39Å; N59-N62 PolarHBondContact OD1-ND2 2.9Å; N59-S63 WeakPolarHBondContact O-CB 3.22Å; N59-S63 PolarHBondContact O-N 2.89Å; N59-S63 PolarHBondContact O-OG 2.88Å
60P93.4Very high95.1Very high19 Ų1934.9 Ų34.912%0.12320%0.204CC..G310 helixtrans-59.9-39.8-167.8-23.131.3000115S56 M58 N62 S63 P88 A258 I262S56-P60 WeakPolarHBondContact O-CA 3.35Å; M58-P60 WeakPolarHBondContact O-CD 3.3Å; P60-N62 VanDerWaalsContact C-N 3.25Å; P60-N62 PolarHBondContact O-N 3.33Å; P60-S63 PolarHBondContact O-N 2.95Å; P60-P88 HydrophobicContact CB-CB 4.05Å; P60-A258 HydrophobicContact CB-CB 4.33Å; P60-I262 HydrophobicContact CB-CD1 3.63Å; P60-I262 HydrophobicContact CG-CD1 4.12Å
61K94.8Very high95Very high144 Ų14434.6 Ų34.663%0.62620%0.202SC*.G310 helixtrans-72.4-21.6-171.2-67.3-176.6176.6-179.30113N59 P88 F89N59-K61 PolarHBondContact O-N 2.9Å; K61-P88 WeakPolarHBondContact CA-O 3.24Å; K61-F89 WeakPolarHBondContact O-CA 3.38Å; K61-F89 VanDerWaalsContact O-CB 3.27Å; K61-F89 WeakPolarHBondContact O-CB 3.5Å
62N97.1Very high94.9Very high30 Ų3033.5 Ų33.516%0.1620%0.195CC..G310 helixtrans-110.311.4-179.5-52.1-48.1000111.7C40 F41 N59 P60 A103 R104C40-N62 WeakPolarHBondContact CA-O 3.46Å; F41-N62 HydrophobicContact CB-CB 4.32Å; F41-N62 PolarHBondContact N-O 3.16Å; F41-N62 WeakPolarHBondContact O-CB 3.46Å; N59-N62 PolarHBondContact O-N 2.88Å; N59-N62 WeakPolarHBondContact OD1-CB 3.39Å; N59-N62 PolarHBondContact OD1-ND2 2.9Å; P60-N62 VanDerWaalsContact C-N 3.25Å; P60-N62 PolarHBondContact O-N 3.33Å; N62-A103 HydrophobicContact CB-CB 4.29Å; N62-R104 PolarHBondContact OD1-N 2.66Å
63S97.1Very high94.8Very high4 Ų434.1 Ų34.13%0.02820%0.197CC..EExtended strand (participates in β ladder)trans-108.892.8-177.3-66.10000111.2V39 C40 S56 N59 P60 F89V39-S63 CarbonylContact O-C 3.58Å; C40-S63 PolarHBondContact SG-OG 2.99Å; S56-S63 WeakPolarHBondContact CA-OG 3.38Å; N59-S63 WeakPolarHBondContact O-CB 3.22Å; N59-S63 PolarHBondContact O-N 2.89Å; N59-S63 PolarHBondContact O-OG 2.88Å; P60-S63 PolarHBondContact O-N 2.95Å; S63-F89 VanDerWaalsContact O-CD1 3.29Å; S63-F89 WeakPolarHBondContact O-CD1 3.16Å
64V98.1Very high94.7Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-88.3113.3-173.7-166.40000110.1I38 V39 F41 I67 F89 V101 L117I38-V64 WeakPolarHBondContact CA-O 3.34Å; I38-V64 WeakPolarHBondContact CG1-O 3.22Å; V39-V64 PolarHBondContact N-O 3.02Å; V39-V64 PolarHBondContact O-N 3.21Å; F41-V64 HydrophobicContact CD2-CG2 4.49Å; F41-V64 HydrophobicContact CE2-CG2 4.09Å; V64-I67 HydrophobicContact CG1-CG1 3.98Å; V64-F89 HydrophobicContact CG1-CD1 4.47Å; V64-F89 HydrophobicContact CG1-CD2 4.21Å; V64-F89 HydrophobicContact CG1-CE1 4.18Å; V64-F89 HydrophobicContact CG1-CE2 3.89Å; V64-F89 HydrophobicContact CG1-CG 4.49Å; V64-F89 HydrophobicContact CG1-CZ 3.87Å; V64-F89 HydrophobicContact CG2-CG 4.37Å; V64-V101 HydrophobicContact CG1-CG1 4.03Å; V64-V101 HydrophobicContact CG2-CG1 3.71Å; V64-L117 HydrophobicContact CB-CD2 4.24Å; V64-L117 HydrophobicContact CG1-CD1 3.92Å; V64-L117 HydrophobicContact CG1-CD2 4.32Å; V64-L117 HydrophobicContact CG2-CD2 4.25Å
65S96.6Very high94.8Very high34 Ų3436.8 Ų36.824%0.23819%0.188CC..EExtended strand (participates in β ladder)trans-123.3173.617759.30000110.6I67S65-I67 PolarHBondContact O-N 2.88Å
66Q96.9Very high94.9Very high38 Ų3838.7 Ų38.718%0.17820%0.201CC..  trans55.429.9-175.7-55.4-167.55900113.6N10 K68 R69 F87N10-Q66 WeakPolarHBondContact ND2-CG 3.17Å; N10-Q66 PolarHBondContact ND2-OE1 3.17Å; N10-Q66 VanDerWaalsContact ND2-OE1 3.07Å; N10-Q66 WeakPolarHBondContact OD1-CA 3.46Å; N10-Q66 PolarHBondContact OD1-O 3.31Å; Q66-K68 PolarHBondContact O-N 2.81Å; Q66-R69 HydrophobicContact CB-CG 3.97Å; Q66-R69 VanDerWaalsContact O-CB 3.26Å; Q66-R69 WeakPolarHBondContact O-CB 3.47Å; Q66-R69 WeakPolarHBondContact O-CG 2.98Å; Q66-R69 PolarHBondContact O-N 2.95Å; Q66-F87 HydrophobicContact CB-CE1 4Å; Q66-F87 HydrophobicContact CB-CZ 4.29Å; Q66-F87 HydrophobicContact CG-CE1 4.4Å
67I97.9Very high94.9Very high3 Ų338.3 Ų38.32%0.01520%0.198CC..G310 helixtrans-53.8-33.3-174.6-60.2157.1000111.5V39 V64 S65 R69 L70 L117 M118 V121V39-I67 HydrophobicContact CG2-CD1 4.07Å; V64-I67 HydrophobicContact CG1-CG1 3.98Å; S65-I67 PolarHBondContact O-N 2.88Å; I67-R69 PolarHBondContact O-N 2.82Å; I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.9Å; I67-L117 HydrophobicContact CD1-CB 4.16Å; I67-L117 HydrophobicContact CG1-CB 4.26Å; I67-L117 HydrophobicContact CG2-CB 3.68Å; I67-M118 HydrophobicContact CB-CE 4.23Å; I67-M118 HydrophobicContact CG2-CB 4.18Å; I67-M118 HydrophobicContact CG2-CE 4.1Å; I67-V121 HydrophobicContact CD1-CG2 3.79Å
68K96.6Very high95.1Very high21 Ų2140.6 Ų40.69%0.09121%0.214CC..G310 helixtrans-55.7-28.2174.5-162.4-176.3-161.2173.60113.9L8 N10 Q66 L70 M118 P145 F148 E173L8-K68 WeakPolarHBondContact O-CD 3.31Å; L8-K68 WeakPolarHBondContact O-CE 3.29Å; L8-K68 PolarHBondContact O-NZ 3.41Å; N10-K68 HydrophobicContact CB-CD 4.32Å; Q66-K68 PolarHBondContact O-N 2.81Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-M118 HydrophobicContact CB-CE 4.09Å; K68-P145 HydrophobicContact CD-CG 4.43Å; K68-P145 VanDerWaalsContact CE-CD 3.42Å; K68-F148 HydrophobicContact CG-CE1 4.44Å; K68-F148 HydrophobicContact CG-CZ 3.8Å; K68-E173 IonicContact NZ-OE1 2.95Å; K68-E173 PolarHBondContact NZ-OE1 3.48Å; K68-E173 IonicContact NZ-OE2 3.6Å
69R96.1Very high95.1Very high12 Ų1234.6 Ų34.65%0.04518%0.184CC..G310 helixtrans-69.7-26.1174.7-62.8-60.8-60.1172.80.1113.7N10 Q66 I67 R73 E79 D83 R227 S228N10-R69 WeakPolarHBondContact OD1-CG 3.32Å; Q66-R69 HydrophobicContact CB-CG 3.97Å; Q66-R69 VanDerWaalsContact O-CB 3.26Å; Q66-R69 WeakPolarHBondContact O-CB 3.47Å; Q66-R69 WeakPolarHBondContact O-CG 2.98Å; Q66-R69 PolarHBondContact O-N 2.95Å; I67-R69 PolarHBondContact O-N 2.82Å; R69-R73 WeakPolarHBondContact O-CD 3.11Å; R69-R73 PolarHBondContact O-NH1 3.49Å; R69-R73 VanDerWaalsContact O-NH1 3.1Å; R69-E79 IonicContact CZ-OE1 2.72Å; R69-E79 IonicContact NH1-OE1 2.67Å; R69-E79 IonicContact NH2-OE1 3.9Å; R69-E79 PolarHBondContact NH2-OE1 2.69Å; R69-D83 IonicContact CZ-OD1 3.35Å; R69-D83 IonicContact CZ-OD2 2.74Å; R69-D83 VanDerWaalsContact CZ-OD2 3.22Å; R69-D83 IonicContact NE-OD1 2.65Å; R69-D83 PolarHBondContact NE-OD1 3.1Å; R69-D83 IonicContact NE-OD2 3.89Å; R69-D83 PolarHBondContact NE-OD2 2.76Å; R69-D83 IonicContact NH2-OD1 3.05Å; R69-D83 IonicContact NH2-OD2 3.01Å; R69-D83 PolarHBondContact NH2-OD2 2.99Å; R69-R227 PolarHBondContact NH1-O 3.18Å; R69-S228 PolarHBondContact NH2-OG 3.29Å
70L97.1Very high95.1Very high0 Ų032.7 Ų32.70%017%0.174CC..THydrogen-bonded Turntrans-90.7-27.2-173-53.6176.7000113I67 K68 G72 L80 F87 V101 P114I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.9Å; K68-L70 VanDerWaalsContact C-N 3.32Å; L70-G72 PolarHBondContact O-N 2.84Å; L70-L80 HydrophobicContact CD2-CD1 3.74Å; L70-F87 HydrophobicContact CD2-CE2 3.71Å; L70-F87 HydrophobicContact CD2-CZ 4.4Å; L70-V101 HydrophobicContact CD1-CG2 3.75Å; L70-P114 HydrophobicContact CB-CB 3.71Å; L70-P114 HydrophobicContact CB-CG 3.59Å; L70-P114 HydrophobicContact CD1-CG 4.44Å
71L95.8Very high95.3Very high1 Ų135 Ų351%0.00518%0.183CC..THydrogen-bonded Turntrans-58127.4-173.3-75.4171.5000112.8R73 P114 M118 F148 Q152 A155 V156L71-R73 PolarHBondContact O-N 2.76Å; L71-P114 HydrophobicContact CD2-CB 3.99Å; L71-P114 HydrophobicContact CG-CB 4.41Å; L71-M118 HydrophobicContact CD1-CB 4.26Å; L71-M118 HydrophobicContact CD1-CE 3.69Å; L71-M118 HydrophobicContact CD1-CG 4.05Å; L71-M118 HydrophobicContact CD2-CB 4.07Å; L71-F148 HydrophobicContact CD1-CE2 4.35Å; L71-Q152 WeakPolarHBondContact O-CG 3.49Å; L71-Q152 PolarHBondContact O-NE2 2.7Å; L71-A155 HydrophobicContact CD2-CB 4.14Å; L71-V156 HydrophobicContact CD1-CG2 4.08Å
72G93.8Very high95.2Very high17 Ų1735.1 Ų35.118%0.17518%0.179CC..THydrogen-bonded Turntrans60.824.3168.600000115.8L70L70-G72 PolarHBondContact O-N 2.84Å
73R93.5Very high95.1Very high12 Ų1234 Ų345%0.04517%0.174CC..  trans-116.2141.5176.5-64.1171.679.1-17510.5109.9R69 L71 D77 E79 L80 D83 F98 P99R69-R73 WeakPolarHBondContact O-CD 3.11Å; R69-R73 PolarHBondContact O-NH1 3.49Å; R69-R73 VanDerWaalsContact O-NH1 3.1Å; L71-R73 PolarHBondContact O-N 2.76Å; R73-D77 IonicContact CZ-OD1 2.86Å; R73-D77 IonicContact CZ-OD2 2.67Å; R73-D77 IonicContact NE-OD2 2.78Å; R73-D77 PolarHBondContact NE-OD2 2.9Å; R73-D77 IonicContact NH2-OD1 3.76Å; R73-D77 PolarHBondContact NH2-OD1 2.88Å; R73-D77 IonicContact NH2-OD2 2.67Å; R73-D77 PolarHBondContact NH2-OD2 2.83Å; R73-E79 VanDerWaalsContact NH2-CB 3.31Å; R73-L80 HydrophobicContact CB-CD2 4.2Å; R73-L80 VanDerWaalsContact NH2-N 3.19Å; R73-D83 IonicContact NH1-OD2 2.68Å; R73-D83 PolarHBondContact NH1-OD2 2.95Å; R73-F98 WeakPolarHBondContact O-CD1 3.34Å; R73-P99 WeakPolarHBondContact O-CD 3.14Å
74K93.6Very high95.1Very high112 Ų11235.1 Ų35.149%0.48718%0.179SC..  trans-66.6146.2172.9-68.9-169.9173.1-168.10110.5S76 D77 L80 G97 F98K74-S76 PolarHBondContact O-N 2.87Å; K74-D77 WeakPolarHBondContact O-CB 3.49Å; K74-D77 PolarHBondContact O-N 3.22Å; K74-L80 VanDerWaalsContact O-CD2 3.27Å; K74-L80 WeakPolarHBondContact O-CD2 3.35Å; K74-G97 CarbonylContact C-O 3.53Å; K74-G97 VanDerWaalsContact CA-O 3.3Å; K74-G97 WeakPolarHBondContact CA-O 3.33Å; K74-G97 WeakPolarHBondContact CB-O 3.38Å; K74-F98 HydrophobicContact CG-CE1 4.12Å; K74-F98 HydrophobicContact CG-CE2 4.48Å; K74-F98 HydrophobicContact CG-CZ 4.03Å
75Y96.2Very high94.8Very high50 Ų5039.4 Ų39.420%0.19621%0.214CC..THydrogen-bonded Turntrans-55.6-39177.2177.7-94.2000111.7D77 Q81 I84 V91 S92 E93 G97 P99Y75-D77 PolarHBondContact O-N 2.87Å; Y75-Q81 VanDerWaalsContact CE1-NE2 3.29Å; Y75-Q81 PolarHBondContact O-NE2 2.72Å; Y75-I84 HydrophobicContact CD2-CD1 3.96Å; Y75-I84 HydrophobicContact CE2-CD1 3.81Å; Y75-V91 HydrophobicContact CD2-CG1 4.27Å; Y75-V91 HydrophobicContact CE2-CG1 4.17Å; Y75-S92 WeakPolarHBondContact CD2-O 2.93Å; Y75-E93 HydrophobicContact CD1-CB 3.54Å; Y75-E93 HydrophobicContact CD1-CG 3.92Å; Y75-E93 HydrophobicContact CD2-CB 4.3Å; Y75-E93 HydrophobicContact CE1-CB 4.06Å; Y75-E93 HydrophobicContact CG-CB 3.68Å; Y75-E93 HydrophobicContact CG-CG 3.99Å; Y75-G97 PolarHBondContact N-O 2.89Å; Y75-P99 HydrophobicContact CD2-CB 4.21Å
76S94.5Very high94.6Very high73 Ų7339.9 Ų39.951%0.5122%0.22SC..THydrogen-bonded Turntrans-71.73.3178.530.90000116K74 P78 E93K74-S76 PolarHBondContact O-N 2.87Å; S76-P78 WeakPolarHBondContact O-CD 3.38Å; S76-E93 PolarHBondContact OG-OE1 2.78Å
77D92Very high94.4Very high15 Ų1539.3 Ų39.38%0.0822%0.217CC..  trans-63.3121.2173.3173.6-32.1000111R73 K74 Y75 E79 L80 Q81 Q451R73-D77 IonicContact CZ-OD1 2.86Å; R73-D77 IonicContact CZ-OD2 2.67Å; R73-D77 IonicContact NE-OD2 2.78Å; R73-D77 PolarHBondContact NE-OD2 2.9Å; R73-D77 IonicContact NH2-OD1 3.76Å; R73-D77 PolarHBondContact NH2-OD1 2.88Å; R73-D77 IonicContact NH2-OD2 2.67Å; R73-D77 PolarHBondContact NH2-OD2 2.83Å; K74-D77 WeakPolarHBondContact O-CB 3.49Å; K74-D77 PolarHBondContact O-N 3.22Å; Y75-D77 PolarHBondContact O-N 2.87Å; D77-E79 PolarHBondContact O-N 2.98Å; D77-E79 VanDerWaalsContact O-N 3.15Å; D77-E79 WeakPolarHBondContact OD1-CA 3.36Å; D77-E79 WeakPolarHBondContact OD1-CB 3.36Å; D77-E79 PolarHBondContact OD1-N 3.34Å; D77-L80 HydrophobicContact CB-CB 3.75Å; D77-L80 WeakPolarHBondContact O-CB 3.41Å; D77-L80 PolarHBondContact O-N 2.71Å; D77-L80 VanDerWaalsContact O-N 3.1Å; D77-L80 PolarHBondContact OD1-N 3.07Å; D77-L80 VanDerWaalsContact OD1-N 3.08Å; D77-Q81 WeakPolarHBondContact O-CG 3.48Å; D77-Q81 PolarHBondContact O-N 3.28Å; D77-Q451 PolarHBondContact OD1-OE1 3.45Å
78P91.9Very high94.1Very high91 Ų9141 Ų4159%0.59123%0.229SC*.THydrogen-bonded Turntrans-64.3-18.4-175.4-24.835000115.7S76 R82S76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-R82 WeakPolarHBondContact O-CG 3.11Å; P78-R82 PolarHBondContact O-NH1 3.3Å
79E90.8Very high94.1Very high11 Ų1140.4 Ų40.45%0.05123%0.226CC..THydrogen-bonded Turntrans-89.6-35172.9172.7172.7145.400111.6R69 R73 D77 Q81 R82 D83 S228 Q451R69-E79 IonicContact CZ-OE1 2.72Å; R69-E79 IonicContact NH1-OE1 2.67Å; R69-E79 IonicContact NH2-OE1 3.9Å; R69-E79 PolarHBondContact NH2-OE1 2.69Å; R73-E79 VanDerWaalsContact NH2-CB 3.31Å; D77-E79 PolarHBondContact O-N 2.98Å; D77-E79 VanDerWaalsContact O-N 3.15Å; D77-E79 WeakPolarHBondContact OD1-CA 3.36Å; D77-E79 WeakPolarHBondContact OD1-CB 3.36Å; D77-E79 PolarHBondContact OD1-N 3.34Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.32Å; E79-R82 IonicContact OE2-NH2 2.62Å; E79-R82 PolarHBondContact OE2-NH2 3.44Å; E79-D83 PolarHBondContact O-N 3.03Å; E79-D83 VanDerWaalsContact O-N 3.1Å; E79-S228 PolarHBondContact OE1-OG 2.91Å; E79-Q451 PolarHBondContact OE2-NE2 3.36Å
80L94Very high94.1Very high0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-62.2-38.9169.2-176.564.6000111.4L70 R73 K74 D77 R82 D83 I84 P99L70-L80 HydrophobicContact CD2-CD1 3.74Å; R73-L80 HydrophobicContact CB-CD2 4.2Å; R73-L80 VanDerWaalsContact NH2-N 3.19Å; K74-L80 VanDerWaalsContact O-CD2 3.27Å; K74-L80 WeakPolarHBondContact O-CD2 3.35Å; D77-L80 HydrophobicContact CB-CB 3.75Å; D77-L80 WeakPolarHBondContact O-CB 3.41Å; D77-L80 PolarHBondContact O-N 2.71Å; D77-L80 VanDerWaalsContact O-N 3.1Å; D77-L80 PolarHBondContact OD1-N 3.07Å; D77-L80 VanDerWaalsContact OD1-N 3.08Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.42Å; L80-D83 WeakPolarHBondContact O-CB 3.16Å; L80-D83 PolarHBondContact O-N 3.26Å; L80-D83 VanDerWaalsContact O-N 3.1Å; L80-I84 HydrophobicContact CD1-CD1 4.36Å; L80-I84 HydrophobicContact CD1-CG1 4.41Å; L80-I84 HydrophobicContact CD2-CD1 4.23Å; L80-I84 HydrophobicContact CG-CD1 3.81Å; L80-I84 HydrophobicContact CG-CG1 4.28Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.41Å; L80-P99 HydrophobicContact CD2-CB 4.33Å; L80-P99 HydrophobicContact CD2-CG 4.01Å
81Q96.4Very high94.2Very high68 Ų6847.1 Ų47.132%0.31825%0.253SS..Hα-helixtrans-62.6-32.7175.3-73.2-64.6-5300112.7Y75 D77 E79 A85Y75-Q81 VanDerWaalsContact CE1-NE2 3.29Å; Y75-Q81 PolarHBondContact O-NE2 2.72Å; D77-Q81 WeakPolarHBondContact O-CG 3.48Å; D77-Q81 PolarHBondContact O-N 3.28Å; E79-Q81 VanDerWaalsContact C-N 3.3Å; E79-Q81 PolarHBondContact O-N 3.2Å; Q81-A85 WeakPolarHBondContact O-CB 3.3Å; Q81-A85 PolarHBondContact O-N 3.37Å; Q81-A85 VanDerWaalsContact O-N 3.09Å
82R93.8Very high94.3Very high145 Ų14548.4 Ų48.455%0.54726%0.262SS..Hα-helixtrans-69.6-37.1171.7-65.9-171.8-52.2-90.312.4112.2P78 E79 L80P78-R82 WeakPolarHBondContact O-CG 3.11Å; P78-R82 PolarHBondContact O-NH1 3.3Å; E79-R82 PolarHBondContact O-N 3.32Å; E79-R82 IonicContact OE2-NH2 2.62Å; E79-R82 PolarHBondContact OE2-NH2 3.44Å; L80-R82 VanDerWaalsContact C-N 3.27Å; L80-R82 PolarHBondContact O-N 3.42Å
83D94.7Very high94.5Very high8 Ų852 Ų524%0.04327%0.274CS..Hα-helixtrans-64.5-48.7173.4-66.2-43.1000110.8R69 R73 E79 L80 A85 A86 F87 R232R69-D83 IonicContact CZ-OD1 3.35Å; R69-D83 IonicContact CZ-OD2 2.74Å; R69-D83 VanDerWaalsContact CZ-OD2 3.22Å; R69-D83 IonicContact NE-OD1 2.65Å; R69-D83 PolarHBondContact NE-OD1 3.1Å; R69-D83 IonicContact NE-OD2 3.89Å; R69-D83 PolarHBondContact NE-OD2 2.76Å; R69-D83 IonicContact NH2-OD1 3.05Å; R69-D83 IonicContact NH2-OD2 3.01Å; R69-D83 PolarHBondContact NH2-OD2 2.99Å; R73-D83 IonicContact NH1-OD2 2.68Å; R73-D83 PolarHBondContact NH1-OD2 2.95Å; E79-D83 PolarHBondContact O-N 3.03Å; E79-D83 VanDerWaalsContact O-N 3.1Å; L80-D83 WeakPolarHBondContact O-CB 3.16Å; L80-D83 PolarHBondContact O-N 3.26Å; L80-D83 VanDerWaalsContact O-N 3.1Å; D83-A85 VanDerWaalsContact C-N 3.33Å; D83-A85 PolarHBondContact O-N 3.11Å; D83-A86 PolarHBondContact O-N 2.84Å; D83-F87 HydrophobicContact CB-CE2 4.05Å; D83-F87 HydrophobicContact CB-CZ 3.79Å; D83-F87 WeakPolarHBondContact O-CG 3.2Å; D83-F87 PolarHBondContact O-N 3.44Å; D83-R232 IonicContact OD1-CZ 3.47Å; D83-R232 IonicContact OD1-NH1 3.6Å; D83-R232 PolarHBondContact OD1-NH1 2.79Å; D83-R232 IonicContact OD1-NH2 2.72Å; D83-R232 PolarHBondContact OD1-NH2 2.82Å
84I96.2Very high94.6Very high26 Ų2652 Ų5213%0.13328%0.278CS..Hα-helixtrans-59.6-40.7-179.6-70.6170.2000112Y75 L80 A86 F87 V91Y75-I84 HydrophobicContact CD2-CD1 3.96Å; Y75-I84 HydrophobicContact CE2-CD1 3.81Å; L80-I84 HydrophobicContact CD1-CD1 4.36Å; L80-I84 HydrophobicContact CD1-CG1 4.41Å; L80-I84 HydrophobicContact CD2-CD1 4.23Å; L80-I84 HydrophobicContact CG-CD1 3.81Å; L80-I84 HydrophobicContact CG-CG1 4.28Å; L80-I84 WeakPolarHBondContact O-CG1 3.46Å; L80-I84 PolarHBondContact O-N 3.41Å; I84-A86 PolarHBondContact O-N 2.88Å; I84-A86 VanDerWaalsContact O-N 3.08Å; I84-F87 HydrophobicContact CB-CD2 4.47Å; I84-F87 HydrophobicContact CG1-CD2 4.23Å; I84-F87 HydrophobicContact CG1-CE2 4.23Å; I84-F87 PolarHBondContact O-N 3.3Å; I84-F87 VanDerWaalsContact O-N 3.13Å; I84-V91 HydrophobicContact CD1-CB 4.16Å; I84-V91 HydrophobicContact CD1-CG1 3.84Å; I84-V91 HydrophobicContact CG1-CB 4.22Å; I84-V91 HydrophobicContact CG1-CG1 4.31Å; I84-V91 HydrophobicContact CG1-CG2 4.29Å; I84-V91 HydrophobicContact CG2-CB 4.22Å
85A93.2Very high94.6Very high90 Ų9053.3 Ų53.374%0.74430%0.298SS*.THydrogen-bonded Turntrans-62.9-13177.500000114.5Q81 D83Q81-A85 WeakPolarHBondContact O-CB 3.3Å; Q81-A85 PolarHBondContact O-N 3.37Å; Q81-A85 VanDerWaalsContact O-N 3.09Å; D83-A85 VanDerWaalsContact C-N 3.33Å; D83-A85 PolarHBondContact O-N 3.11Å
86A90.6Very high94.4Very high45 Ų4555.3 Ų55.337%0.37231%0.312SS..THydrogen-bonded Turntrans-106-5.3177.200000114.1D83 I84D83-A86 PolarHBondContact O-N 2.84Å; I84-A86 PolarHBondContact O-N 2.88Å; I84-A86 VanDerWaalsContact O-N 3.08Å
87F93.9Very high94.4Very high25 Ų2552.6 Ų52.611%0.1130%0.296CS..  trans-82.7143-177.3-64.8-32.4000112.9Q66 L70 D83 I84 F89 V91Q66-F87 HydrophobicContact CB-CE1 4Å; Q66-F87 HydrophobicContact CB-CZ 4.29Å; Q66-F87 HydrophobicContact CG-CE1 4.4Å; L70-F87 HydrophobicContact CD2-CE2 3.71Å; L70-F87 HydrophobicContact CD2-CZ 4.4Å; D83-F87 HydrophobicContact CB-CE2 4.05Å; D83-F87 HydrophobicContact CB-CZ 3.79Å; D83-F87 WeakPolarHBondContact O-CG 3.2Å; D83-F87 PolarHBondContact O-N 3.44Å; I84-F87 HydrophobicContact CB-CD2 4.47Å; I84-F87 HydrophobicContact CG1-CD2 4.23Å; I84-F87 HydrophobicContact CG1-CE2 4.23Å; I84-F87 PolarHBondContact O-N 3.3Å; I84-F87 VanDerWaalsContact O-N 3.13Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-F89 HydrophobicContact CB-CD1 4.12Å; F87-F89 HydrophobicContact CB-CD2 4.23Å; F87-F89 HydrophobicContact CB-CE1 3.81Å; F87-F89 HydrophobicContact CB-CE2 3.93Å; F87-F89 HydrophobicContact CB-CG 4.32Å; F87-F89 HydrophobicContact CB-CZ 3.72Å; F87-F89 AromaticContact CD1-CE1 4Å; F87-F89 HydrophobicContact CD1-CE1 4Å; F87-F89 AromaticContact CD1-CZ 3.76Å; F87-F89 HydrophobicContact CD1-CZ 3.76Å; F87-F89 HydrophobicContact CD2-CE1 4.36Å; F87-F89 AromaticContact CD2-CE2 3.57Å; F87-F89 HydrophobicContact CD2-CE2 3.57Å; F87-F89 AromaticContact CD2-CZ 3.47Å; F87-F89 HydrophobicContact CD2-CZ 3.47Å; F87-F89 VanDerWaalsContact CD2-CZ 3.47Å; F87-F89 HydrophobicContact CE1-CZ 4.22Å; F87-F89 HydrophobicContact CE2-CE2 4.24Å; F87-F89 AromaticContact CE2-CZ 3.99Å; F87-F89 HydrophobicContact CE2-CZ 3.99Å; F87-F89 AromaticContact CG-CE1 3.81Å; F87-F89 HydrophobicContact CG-CE1 3.81Å; F87-F89 AromaticContact CG-CE2 3.82Å; F87-F89 HydrophobicContact CG-CE2 3.82Å; F87-F89 AromaticContact CG-CZ 3.37Å; F87-F89 HydrophobicContact CG-CZ 3.37Å; F87-F89 HydrophobicContact CZ-CZ 4.32Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å
88P92.4Very high94.6Very high40 Ų4053.1 Ų53.126%0.2630%0.297SS..SBendtrans-80.7-14.2175.634-36.4000113.3P60 K61 I262P60-P88 HydrophobicContact CB-CB 4.05Å; K61-P88 WeakPolarHBondContact CA-O 3.24Å; P88-I262 HydrophobicContact CB-CD1 4.04Å; P88-I262 HydrophobicContact CG-CD1 4.1Å
89F94.9Very high94.8Very high8 Ų848.9 Ų48.94%0.03527%0.269CS..SBendtrans-101.3154.6-179.454.5-95.8000111.5K61 S63 V64 F87 V91 V101K61-F89 WeakPolarHBondContact O-CA 3.38Å; K61-F89 VanDerWaalsContact O-CB 3.27Å; K61-F89 WeakPolarHBondContact O-CB 3.5Å; S63-F89 VanDerWaalsContact O-CD1 3.29Å; S63-F89 WeakPolarHBondContact O-CD1 3.16Å; V64-F89 HydrophobicContact CG1-CD1 4.47Å; V64-F89 HydrophobicContact CG1-CD2 4.21Å; V64-F89 HydrophobicContact CG1-CE1 4.18Å; V64-F89 HydrophobicContact CG1-CE2 3.89Å; V64-F89 HydrophobicContact CG1-CG 4.49Å; V64-F89 HydrophobicContact CG1-CZ 3.87Å; V64-F89 HydrophobicContact CG2-CG 4.37Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-F89 HydrophobicContact CB-CD1 4.12Å; F87-F89 HydrophobicContact CB-CD2 4.23Å; F87-F89 HydrophobicContact CB-CE1 3.81Å; F87-F89 HydrophobicContact CB-CE2 3.93Å; F87-F89 HydrophobicContact CB-CG 4.32Å; F87-F89 HydrophobicContact CB-CZ 3.72Å; F87-F89 AromaticContact CD1-CE1 4Å; F87-F89 HydrophobicContact CD1-CE1 4Å; F87-F89 AromaticContact CD1-CZ 3.76Å; F87-F89 HydrophobicContact CD1-CZ 3.76Å; F87-F89 HydrophobicContact CD2-CE1 4.36Å; F87-F89 AromaticContact CD2-CE2 3.57Å; F87-F89 HydrophobicContact CD2-CE2 3.57Å; F87-F89 AromaticContact CD2-CZ 3.47Å; F87-F89 HydrophobicContact CD2-CZ 3.47Å; F87-F89 VanDerWaalsContact CD2-CZ 3.47Å; F87-F89 HydrophobicContact CE1-CZ 4.22Å; F87-F89 HydrophobicContact CE2-CE2 4.24Å; F87-F89 AromaticContact CE2-CZ 3.99Å; F87-F89 HydrophobicContact CE2-CZ 3.99Å; F87-F89 AromaticContact CG-CE1 3.81Å; F87-F89 HydrophobicContact CG-CE1 3.81Å; F87-F89 AromaticContact CG-CE2 3.82Å; F87-F89 HydrophobicContact CG-CE2 3.82Å; F87-F89 AromaticContact CG-CZ 3.37Å; F87-F89 HydrophobicContact CG-CZ 3.37Å; F87-F89 HydrophobicContact CZ-CZ 4.32Å; F89-V91 HydrophobicContact CD2-CG2 3.88Å; F89-V91 HydrophobicContact CE2-CG2 3.78Å; F89-V101 HydrophobicContact CD2-CG1 3.88Å; F89-V101 HydrophobicContact CE2-CG1 4.36Å
90R97.2Very high95.2Very high137 Ų13750 Ų5052%0.51728%0.275SS..EExtended strand (participates in β ladder)trans-82.8130.8-175.2174.9-174.9-178.6-158.12.1111.1H102 E109R90-H102 HydrophobicContact CB-CB 4.1Å; R90-H102 HydrophobicContact CG-CB 4.06Å; R90-H102 PolarHBondContact O-N 2.81Å; R90-E109 IonicContact CZ-OE1 2.63Å; R90-E109 IonicContact NH1-OE1 2.84Å; R90-E109 PolarHBondContact NH1-OE1 2.84Å; R90-E109 IonicContact NH1-OE2 2.64Å; R90-E109 PolarHBondContact NH1-OE2 2.14Å
91V98.4Very high95.4Very high15 Ų1550 Ų509%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-122.8142.7170.7-169.50000108.9Y75 I84 F87 F89 P99 L100 V101Y75-V91 HydrophobicContact CD2-CG1 4.27Å; Y75-V91 HydrophobicContact CE2-CG1 4.17Å; I84-V91 HydrophobicContact CD1-CB 4.16Å; I84-V91 HydrophobicContact CD1-CG1 3.84Å; I84-V91 HydrophobicContact CG1-CB 4.22Å; I84-V91 HydrophobicContact CG1-CG1 4.31Å; I84-V91 HydrophobicContact CG1-CG2 4.29Å; I84-V91 HydrophobicContact CG2-CB 4.22Å; F87-V91 HydrophobicContact CD2-CG2 4.4Å; F89-V91 HydrophobicContact CD2-CG2 3.88Å; F89-V91 HydrophobicContact CE2-CG2 3.78Å; V91-P99 HydrophobicContact CG1-CB 3.61Å; V91-L100 CarbonylContact C-O 3.46Å; V91-L100 VanDerWaalsContact CA-O 3.31Å; V91-L100 WeakPolarHBondContact CA-O 3.32Å; V91-V101 HydrophobicContact CG2-CG2 4.38Å
92S98.2Very high95.5Very high28 Ų2847.7 Ų47.720%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-131.7168.2171.175.20000111.6Y75 P99 L100 H102Y75-S92 WeakPolarHBondContact CD2-O 2.93Å; S92-P99 CarbonylContact O-C 3.57Å; S92-P99 WeakPolarHBondContact O-CA 3.4Å; S92-L100 PolarHBondContact N-O 3.45Å; S92-L100 PolarHBondContact O-N 3.1Å; S92-H102 PolarHBondContact OG-NE2 2.87Å
93E98.1Very high95.7Very high93 Ų9340.9 Ų40.944%0.43524%0.24SC..EExtended strand (participates in β ladder)trans-71.2141.4164.2-160.6147.9-138.800109.8Y75 S76Y75-E93 HydrophobicContact CD1-CB 3.54Å; Y75-E93 HydrophobicContact CD1-CG 3.92Å; Y75-E93 HydrophobicContact CD2-CB 4.3Å; Y75-E93 HydrophobicContact CE1-CB 4.06Å; Y75-E93 HydrophobicContact CG-CB 3.68Å; Y75-E93 HydrophobicContact CG-CG 3.99Å; S76-E93 PolarHBondContact OG-OE1 2.78Å
94G96.3Very high95.8Very high11 Ų1147 Ų4711%0.11326%0.262CS..  trans-91.8170.5168.800000112.5D96 G97 F98G94-D96 PolarHBondContact O-N 2.82Å; G94-D96 VanDerWaalsContact O-N 3.12Å; G94-G97 PolarHBondContact O-N 2.87Å; G94-F98 PolarHBondContact N-O 3.08Å
95P93.7Very high95.9Very high141 Ų14146.2 Ų46.292%0.91626%0.257SS*.THydrogen-bonded Turntrans-65.8-12.617929.8-36.1000113.6
96D90.9Very high96Very high92 Ų9245.1 Ų45.149%0.49224%0.239SC..THydrogen-bonded Turntrans-93.4-8.3175.458.4-4.3000113.6G94 F98G94-D96 PolarHBondContact O-N 2.82Å; G94-D96 VanDerWaalsContact O-N 3.12Å; D96-F98 HydrophobicContact CB-CD2 4.04Å; D96-F98 WeakPolarHBondContact O-CD2 3.36Å; D96-F98 PolarHBondContact OD1-N 2.94Å
97G94.5Very high96.1Very high16 Ų1644.4 Ų44.417%0.16524%0.236CC..SBendtrans81.612.8-173.200000114.8K74 Y75 G94K74-G97 CarbonylContact C-O 3.53Å; K74-G97 VanDerWaalsContact CA-O 3.3Å; K74-G97 WeakPolarHBondContact CA-O 3.33Å; K74-G97 WeakPolarHBondContact CB-O 3.38Å; Y75-G97 PolarHBondContact N-O 2.89Å; G94-G97 PolarHBondContact O-N 2.87Å
98F95.7Very high96.3Very high26 Ų2648.1 Ų48.111%0.11425%0.253CS..SBendtrans-103.1156.6176.6-71.1-90.6000111.3R73 K74 G94 D96 L151R73-F98 WeakPolarHBondContact O-CD1 3.34Å; K74-F98 HydrophobicContact CG-CE1 4.12Å; K74-F98 HydrophobicContact CG-CE2 4.48Å; K74-F98 HydrophobicContact CG-CZ 4.03Å; G94-F98 PolarHBondContact N-O 3.08Å; D96-F98 HydrophobicContact CB-CD2 4.04Å; D96-F98 WeakPolarHBondContact O-CD2 3.36Å; D96-F98 PolarHBondContact OD1-N 2.94Å; F98-L151 HydrophobicContact CE1-CD2 3.67Å; F98-L151 HydrophobicContact CZ-CD2 3.73Å
99P97.5Very high96.5Very high1 Ų152 Ų521%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-70.6132.7-177.728.1-35.9000111.6R73 Y75 L80 V91 S92 P114R73-P99 WeakPolarHBondContact O-CD 3.14Å; Y75-P99 HydrophobicContact CD2-CB 4.21Å; L80-P99 HydrophobicContact CD2-CB 4.33Å; L80-P99 HydrophobicContact CD2-CG 4.01Å; V91-P99 HydrophobicContact CG1-CB 3.61Å; S92-P99 CarbonylContact O-C 3.57Å; S92-P99 WeakPolarHBondContact O-CA 3.4Å; P99-P114 HydrophobicContact CG-CG 3.93Å; P99-P114 WeakPolarHBondContact O-CD 3.49Å
100L98.2Very high96.6Very high34 Ų3456.4 Ų56.418%0.17829%0.285CS..EExtended strand (participates in β ladder)trans-110.2129.5170.4-66.3-178.5000109.5V91 S92 H102 V111 T113V91-L100 CarbonylContact C-O 3.46Å; V91-L100 VanDerWaalsContact CA-O 3.31Å; V91-L100 WeakPolarHBondContact CA-O 3.32Å; S92-L100 PolarHBondContact N-O 3.45Å; S92-L100 PolarHBondContact O-N 3.1Å; L100-H102 PolarHBondContact O-CD2 3.18Å; L100-V111 HydrophobicContact CB-CG1 3.74Å; L100-V111 HydrophobicContact CD1-CG1 4.12Å; L100-V111 HydrophobicContact CD2-CG1 4.34Å; L100-V111 HydrophobicContact CG-CG1 4.29Å; L100-T113 HydrophobicContact CD2-CG2 4.06Å
101V98.6Very high96.6Very high0 Ų052.7 Ų52.70%028%0.277CS..EExtended strand (participates in β ladder)trans-98.7133.5-179.9-174.60000109.6V64 L70 F89 V91 V111 F112 L117V64-V101 HydrophobicContact CG1-CG1 4.03Å; V64-V101 HydrophobicContact CG2-CG1 3.71Å; L70-V101 HydrophobicContact CD1-CG2 3.75Å; F89-V101 HydrophobicContact CD2-CG1 3.88Å; F89-V101 HydrophobicContact CE2-CG1 4.36Å; V91-V101 HydrophobicContact CG2-CG2 4.38Å; V101-V111 WeakPolarHBondContact O-CA 3.25Å; V101-F112 PolarHBondContact N-O 2.89Å; V101-F112 PolarHBondContact O-N 3.5Å; V101-L117 HydrophobicContact CB-CD1 3.77Å; V101-L117 HydrophobicContact CG1-CD1 4.19Å; V101-L117 HydrophobicContact CG2-CD1 3.61Å
102H98.2Very high96.6Very high21 Ų2152.1 Ų52.110%0.09727%0.273CS..EExtended strand (participates in β ladder)trans-109.4128.6-178.1-57-112.7000109.2R90 S92 L100 E109R90-H102 HydrophobicContact CB-CB 4.1Å; R90-H102 HydrophobicContact CG-CB 4.06Å; R90-H102 PolarHBondContact O-N 2.81Å; S92-H102 PolarHBondContact OG-NE2 2.87Å; L100-H102 PolarHBondContact O-CD2 3.18Å; H102-E109 IonicContact ND1-OE1 3.22Å
103A97.6Very high96.6Very high2 Ų252.2 Ų52.22%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-143.3147.1175.300000110.2F41 N62 R110F41-A103 HydrophobicContact CB-CB 4.19Å; F41-A103 HydrophobicContact CD2-CB 3.42Å; F41-A103 VanDerWaalsContact CD2-CB 3.42Å; F41-A103 HydrophobicContact CE2-CB 4Å; F41-A103 HydrophobicContact CG-CB 3.94Å; N62-A103 HydrophobicContact CB-CB 4.29Å; A103-R110 PolarHBondContact N-O 3.08Å; A103-R110 PolarHBondContact O-N 3.48Å; A103-R110 VanDerWaalsContact O-O 3.07Å
104R97.8Very high96.6Very high136 Ų13648.2 Ų48.251%0.51326%0.255SS..EExtended strand (participates in β ladder)trans-77.2125.9168.7-159179.4-166.7-169.6-2.5109.4F41 N62 G107 E108F41-R104 VanDerWaalsContact CB-O 3.26Å; F41-R104 WeakPolarHBondContact CB-O 3.29Å; N62-R104 PolarHBondContact OD1-N 2.66Å; R104-G107 VanDerWaalsContact CZ-O 3.23Å; R104-G107 PolarHBondContact NE-O 2.92Å; R104-G107 PolarHBondContact NH2-O 3.2Å; R104-E108 CarbonylContact C-O 3.57Å; R104-E108 VanDerWaalsContact CA-O 3.24Å; R104-E108 WeakPolarHBondContact CA-O 3.34Å; R104-E108 WeakPolarHBondContact CG-O 3.35Å
105Y97.5Very high96.7Very high9 Ų948.4 Ų48.44%0.03525%0.254CS..EExtended strand (participates in β ladder)trans-142.9132179.8179.4-125.1000109F41 G42 R46 G107 E108 M604F41-Y105 HydrophobicContact CB-CD2 4.14Å; F41-Y105 HydrophobicContact CB-CG 4.45Å; F41-Y105 AromaticContact CD1-CD2 3.83Å; F41-Y105 HydrophobicContact CD1-CD2 3.83Å; F41-Y105 AromaticContact CD1-CG 3.84Å; F41-Y105 HydrophobicContact CD1-CG 3.84Å; F41-Y105 HydrophobicContact CG-CD2 4.49Å; G42-Y105 WeakPolarHBondContact O-CD2 3.45Å; R46-Y105 HydrophobicContact CG-CD2 4.29Å; R46-Y105 HydrophobicContact CG-CE2 3.63Å; Y105-G107 PolarHBondContact O-N 3.48Å; Y105-E108 PolarHBondContact N-O 3.1Å; Y105-E108 PolarHBondContact O-N 3.23Å; Y105-M604 HydrophobicContact CE1-CG 4.01Å; Y105-M604 HydrophobicContact CE1-SD 4.15Å
106L96.1Very high96.9Very high68 Ų6843.2 Ų43.236%0.35622%0.218SC..THydrogen-bonded Turntrans5141.4-174.9-49.8-178.1000112.8G42 D43 K44 E108 Q607G42-L106 PolarHBondContact O-N 2.94Å; D43-L106 WeakPolarHBondContact O-CA 3.5Å; K44-L106 VanDerWaalsContact C-CD2 3.41Å; K44-L106 VanDerWaalsContact O-CD2 3.28Å; K44-L106 WeakPolarHBondContact O-CD2 3.44Å; L106-E108 PolarHBondContact O-N 2.95Å; L106-Q607 HydrophobicContact CD1-CG 4.46Å; L106-Q607 HydrophobicContact CD2-CG 4.42Å
107G93.3Very high97.3Very high30 Ų3038.9 Ų38.931%0.30919%0.194SC..THydrogen-bonded Turntrans76.9-11.3-178.500000116.3R104 Y105R104-G107 VanDerWaalsContact CZ-O 3.23Å; R104-G107 PolarHBondContact NE-O 2.92Å; R104-G107 PolarHBondContact NH2-O 3.2Å; Y105-G107 PolarHBondContact O-N 3.48Å
108E96.6Very high97.5Very high102 Ų10238.5 Ų38.548%0.47719%0.188SC..EExtended strand (participates in β ladder)trans-105.7153.6-176.2-62.9-177.8148.100112.8R104 Y105 L106 R110R104-E108 CarbonylContact C-O 3.57Å; R104-E108 VanDerWaalsContact CA-O 3.24Å; R104-E108 WeakPolarHBondContact CA-O 3.34Å; R104-E108 WeakPolarHBondContact CG-O 3.35Å; Y105-E108 PolarHBondContact N-O 3.1Å; Y105-E108 PolarHBondContact O-N 3.23Å; L106-E108 PolarHBondContact O-N 2.95Å; E108-R110 HydrophobicContact CB-CG 4.43Å; E108-R110 PolarHBondContact O-N 3.12Å; E108-R110 IonicContact OE2-CZ 2.77Å; E108-R110 IonicContact OE2-NE 3.53Å; E108-R110 PolarHBondContact OE2-NE 3.32Å; E108-R110 IonicContact OE2-NH2 3.85Å; E108-R110 PolarHBondContact OE2-NH2 3.07Å
109E97.3Very high97.6Very high123 Ų12337.2 Ų37.258%0.57518%0.183SC*.EExtended strand (participates in β ladder)trans-75.1117.1166.4-173.4169-140.700109R90 H102R90-E109 IonicContact CZ-OE1 2.63Å; R90-E109 IonicContact NH1-OE1 2.84Å; R90-E109 PolarHBondContact NH1-OE1 2.84Å; R90-E109 IonicContact NH1-OE2 2.64Å; R90-E109 PolarHBondContact NH1-OE2 2.14Å; H102-E109 IonicContact ND1-OE1 3.22Å
110R97.4Very high97.7Very high100 Ų10037.2 Ų37.238%0.37718%0.182SC..EExtended strand (participates in β ladder)trans-118.5145.8179.7-65.1-60.6-168.5112.1-2.6110.2A103 E108 F112A103-R110 PolarHBondContact N-O 3.08Å; A103-R110 PolarHBondContact O-N 3.48Å; A103-R110 VanDerWaalsContact O-O 3.07Å; E108-R110 HydrophobicContact CB-CG 4.43Å; E108-R110 PolarHBondContact O-N 3.12Å; E108-R110 IonicContact OE2-CZ 2.77Å; E108-R110 IonicContact OE2-NE 3.53Å; E108-R110 PolarHBondContact OE2-NE 3.32Å; E108-R110 IonicContact OE2-NH2 3.85Å; E108-R110 PolarHBondContact OE2-NH2 3.07Å; R110-F112 HydrophobicContact CB-CE2 3.76Å; R110-F112 HydrophobicContact CB-CZ 3.98Å
111V97.6Very high97.7Very high59 Ų5935.8 Ų35.836%0.35818%0.175SC..EExtended strand (participates in β ladder)trans-112.7140.4-177.1-171.90000110.1L100 V101 K600L100-V111 HydrophobicContact CB-CG1 3.74Å; L100-V111 HydrophobicContact CD1-CG1 4.12Å; L100-V111 HydrophobicContact CD2-CG1 4.34Å; L100-V111 HydrophobicContact CG-CG1 4.29Å; V101-V111 WeakPolarHBondContact O-CA 3.25Å; V111-K600 PolarHBondContact O-NZ 3.36Å; V111-K600 VanDerWaalsContact O-NZ 3.16Å
112F98.2Very high97.7Very high2 Ų235.8 Ų35.81%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-136.8145.5-177.5-59.2-84.3000111.7F41 V101 R110 L117 M120 M604F41-F112 HydrophobicContact CD1-CE2 4.07Å; F41-F112 HydrophobicContact CD1-CZ 4.11Å; F41-F112 HydrophobicContact CE1-CD2 4.19Å; F41-F112 HydrophobicContact CE1-CE1 4.04Å; F41-F112 AromaticContact CE1-CE2 3.51Å; F41-F112 HydrophobicContact CE1-CE2 3.51Å; F41-F112 AromaticContact CE1-CZ 3.42Å; F41-F112 HydrophobicContact CE1-CZ 3.42Å; F41-F112 VanDerWaalsContact CE1-CZ 3.42Å; F41-F112 HydrophobicContact CE2-CD2 4.26Å; F41-F112 HydrophobicContact CE2-CE2 4.19Å; F41-F112 HydrophobicContact CZ-CD1 4.47Å; F41-F112 AromaticContact CZ-CD2 3.78Å; F41-F112 HydrophobicContact CZ-CD2 3.78Å; F41-F112 HydrophobicContact CZ-CE1 4.29Å; F41-F112 AromaticContact CZ-CE2 3.57Å; F41-F112 HydrophobicContact CZ-CE2 3.57Å; F41-F112 HydrophobicContact CZ-CG 4.23Å; F41-F112 AromaticContact CZ-CZ 3.85Å; F41-F112 HydrophobicContact CZ-CZ 3.85Å; V101-F112 PolarHBondContact N-O 2.89Å; V101-F112 PolarHBondContact O-N 3.5Å; R110-F112 HydrophobicContact CB-CE2 3.76Å; R110-F112 HydrophobicContact CB-CZ 3.98Å; F112-L117 HydrophobicContact CB-CD1 4.3Å; F112-L117 HydrophobicContact CB-CD2 4.33Å; F112-L117 HydrophobicContact CB-CG 4.01Å; F112-M120 HydrophobicContact CD1-CE 3.51Å; F112-M120 HydrophobicContact CE1-CE 3.63Å; F112-M120 HydrophobicContact CG-CE 4.28Å; F112-M120 HydrophobicContact CZ-CE 4.48Å; F112-M604 HydrophobicContact CE1-CE 4.1Å; F112-M604 HydrophobicContact CE1-SD 3.68Å; F112-M604 HydrophobicContact CZ-SD 4.14Å
113T97.8Very high97.7Very high31 Ų3136.1 Ų36.119%0.1918%0.18CC..  trans-82.5156.3168.167.70000110.6L100 T115 Q116 L117L100-T113 HydrophobicContact CD2-CG2 4.06Å; T113-T115 PolarHBondContact O-N 3.22Å; T113-Q116 WeakPolarHBondContact O-CB 3.33Å; T113-Q116 PolarHBondContact O-N 3.3Å; T113-Q116 VanDerWaalsContact O-N 3.12Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.06Å; T113-Q116 PolarHBondContact OG1-N 3.12Å; T113-Q116 VanDerWaalsContact OG1-N 3.15Å; T113-L117 PolarHBondContact O-N 3.46Å
114P98.1Very high97.7Very high9 Ų937.7 Ų37.76%0.05819%0.188CC..Hα-helixtrans-54-35.4170.9-3037.2000113.5L70 L71 P99 L117 M118L70-P114 HydrophobicContact CB-CB 3.71Å; L70-P114 HydrophobicContact CB-CG 3.59Å; L70-P114 HydrophobicContact CD1-CG 4.44Å; L71-P114 HydrophobicContact CD2-CB 3.99Å; L71-P114 HydrophobicContact CG-CB 4.41Å; P99-P114 HydrophobicContact CG-CG 3.93Å; P99-P114 WeakPolarHBondContact O-CD 3.49Å; P114-L117 PolarHBondContact O-N 2.94Å; P114-M118 WeakPolarHBondContact O-CB 3.05Å; P114-M118 PolarHBondContact O-N 2.89Å
115T98.3Very high97.8Very high15 Ų1531.2 Ų31.29%0.09216%0.164CC..Hα-helixtrans-64.4-45.2176.3-54.60000111.6T113 M118 A119 A155 D158 A159 I162 L589T113-T115 PolarHBondContact O-N 3.22Å; T115-M118 PolarHBondContact O-N 2.92Å; T115-A119 PolarHBondContact O-N 2.8Å; T115-A155 WeakPolarHBondContact CG2-O 3.31Å; T115-D158 HydrophobicContact CG2-CB 3.61Å; T115-A159 HydrophobicContact CG2-CB 4.16Å; T115-A159 WeakPolarHBondContact O-CB 3.22Å; T115-I162 HydrophobicContact CG2-CD1 4.06Å; T115-L589 HydrophobicContact CG2-CD1 3.67Å
116Q98.5Very high97.8Very high32 Ų3232.4 Ų32.415%0.1517%0.169CC..Hα-helixtrans-61.2-45.5173.5-76173.1-15.800111.3T113 M118 A119 M120 A597T113-Q116 WeakPolarHBondContact O-CB 3.33Å; T113-Q116 PolarHBondContact O-N 3.3Å; T113-Q116 VanDerWaalsContact O-N 3.12Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.06Å; T113-Q116 PolarHBondContact OG1-N 3.12Å; T113-Q116 VanDerWaalsContact OG1-N 3.15Å; Q116-M118 PolarHBondContact O-N 3.23Å; Q116-A119 VanDerWaalsContact O-CB 3.29Å; Q116-A119 WeakPolarHBondContact O-CB 3.37Å; Q116-A119 PolarHBondContact O-N 3.03Å; Q116-A119 VanDerWaalsContact O-N 3.13Å; Q116-M120 WeakPolarHBondContact O-CG 3.2Å; Q116-M120 PolarHBondContact O-N 3.27Å; Q116-M120 VanDerWaalsContact O-N 3.12Å; Q116-A597 HydrophobicContact CG-CB 4.03Å
117L98.7Very high97.8Very high0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-62.1-40.5178.6-72160.6000112.8V39 F41 V64 I67 V101 F112 T113 P114 A119 M120 V121V39-L117 HydrophobicContact CB-CD2 4.44Å; F41-L117 HydrophobicContact CE2-CD2 3.8Å; F41-L117 HydrophobicContact CZ-CD2 3.76Å; V64-L117 HydrophobicContact CB-CD2 4.24Å; V64-L117 HydrophobicContact CG1-CD1 3.92Å; V64-L117 HydrophobicContact CG1-CD2 4.32Å; V64-L117 HydrophobicContact CG2-CD2 4.25Å; I67-L117 HydrophobicContact CD1-CB 4.16Å; I67-L117 HydrophobicContact CG1-CB 4.26Å; I67-L117 HydrophobicContact CG2-CB 3.68Å; V101-L117 HydrophobicContact CB-CD1 3.77Å; V101-L117 HydrophobicContact CG1-CD1 4.19Å; V101-L117 HydrophobicContact CG2-CD1 3.61Å; F112-L117 HydrophobicContact CB-CD1 4.3Å; F112-L117 HydrophobicContact CB-CD2 4.33Å; F112-L117 HydrophobicContact CB-CG 4.01Å; T113-L117 PolarHBondContact O-N 3.46Å; P114-L117 PolarHBondContact O-N 2.94Å; L117-A119 VanDerWaalsContact C-N 3.31Å; L117-M120 HydrophobicContact CD2-CE 4.49Å; L117-M120 HydrophobicContact CD2-SD 4.44Å; L117-M120 PolarHBondContact O-N 2.68Å; L117-V121 PolarHBondContact O-N 2.97Å
118M98.7Very high98Very high8 Ų829.8 Ų29.84%0.03916%0.155CC..Hα-helixtrans-68.7-31.4174.8-172.658.671.700111.8L8 I67 K68 L71 P114 T115 Q116 V121 L122 A159L8-M118 HydrophobicContact CD1-CG 4.49Å; L8-M118 HydrophobicContact CD1-SD 4.01Å; L8-M118 HydrophobicContact CD2-SD 4.22Å; I67-M118 HydrophobicContact CB-CE 4.23Å; I67-M118 HydrophobicContact CG2-CB 4.18Å; I67-M118 HydrophobicContact CG2-CE 4.1Å; K68-M118 HydrophobicContact CB-CE 4.09Å; L71-M118 HydrophobicContact CD1-CB 4.26Å; L71-M118 HydrophobicContact CD1-CE 3.69Å; L71-M118 HydrophobicContact CD1-CG 4.05Å; L71-M118 HydrophobicContact CD2-CB 4.07Å; P114-M118 WeakPolarHBondContact O-CB 3.05Å; P114-M118 PolarHBondContact O-N 2.89Å; T115-M118 PolarHBondContact O-N 2.92Å; Q116-M118 PolarHBondContact O-N 3.23Å; M118-V121 PolarHBondContact O-N 3.42Å; M118-V121 HydrophobicContact SD-CB 4.36Å; M118-L122 HydrophobicContact CG-CD1 4.36Å; M118-L122 PolarHBondContact O-N 2.91Å; M118-A159 HydrophobicContact CB-CB 3.99Å; M118-A159 HydrophobicContact CG-CB 4.05Å
119A98.8Very high98Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-62.6-41.5172.500000111.7T115 Q116 L117 V121 L122 S123 A159 I162T115-A119 PolarHBondContact O-N 2.8Å; Q116-A119 VanDerWaalsContact O-CB 3.29Å; Q116-A119 WeakPolarHBondContact O-CB 3.37Å; Q116-A119 PolarHBondContact O-N 3.03Å; Q116-A119 VanDerWaalsContact O-N 3.13Å; L117-A119 VanDerWaalsContact C-N 3.31Å; A119-V121 VanDerWaalsContact C-N 3.3Å; A119-V121 PolarHBondContact O-N 3.19Å; A119-L122 CarbonylContact O-C 3.57Å; A119-L122 PolarHBondContact O-N 2.85Å; A119-L122 VanDerWaalsContact O-N 3.11Å; A119-S123 PolarHBondContact O-N 2.92Å; A119-S123 PolarHBondContact O-OG 2.85Å; A119-S123 VanDerWaalsContact O-OG 3.12Å; A119-A159 HydrophobicContact CB-CB 4.26Å; A119-A159 VanDerWaalsContact CB-O 3.28Å; A119-A159 WeakPolarHBondContact CB-O 2.94Å; A119-I162 HydrophobicContact CB-CB 3.55Å; A119-I162 HydrophobicContact CB-CD1 4.35Å; A119-I162 HydrophobicContact CB-CG2 3.38Å
120M98.8Very high98Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-60-41.1176.3-41.3-168.8-179.200111.8V39 F41 R46 I48 F112 Q116 L117 S123 N124 M604V39-M120 HydrophobicContact CG1-SD 3.76Å; V39-M120 HydrophobicContact CG2-CB 3.91Å; V39-M120 HydrophobicContact CG2-SD 4.37Å; F41-M120 HydrophobicContact CE1-CE 4.09Å; F41-M120 HydrophobicContact CE1-SD 3.92Å; F41-M120 HydrophobicContact CZ-CE 3.91Å; F41-M120 HydrophobicContact CZ-SD 3.72Å; R46-M120 VanDerWaalsContact NH1-CG 3.27Å; R46-M120 PolarHBondContact NH1-SD 2.9Å; I48-M120 HydrophobicContact CD1-CB 3.97Å; F112-M120 HydrophobicContact CD1-CE 3.51Å; F112-M120 HydrophobicContact CE1-CE 3.63Å; F112-M120 HydrophobicContact CG-CE 4.28Å; F112-M120 HydrophobicContact CZ-CE 4.48Å; Q116-M120 WeakPolarHBondContact O-CG 3.2Å; Q116-M120 PolarHBondContact O-N 3.27Å; Q116-M120 VanDerWaalsContact O-N 3.12Å; L117-M120 HydrophobicContact CD2-CE 4.49Å; L117-M120 HydrophobicContact CD2-SD 4.44Å; L117-M120 PolarHBondContact O-N 2.68Å; M120-S123 WeakPolarHBondContact O-CB 3.48Å; M120-S123 PolarHBondContact O-N 2.84Å; M120-N124 PolarHBondContact O-N 2.88Å; M120-N124 VanDerWaalsContact O-N 3.11Å; M120-M604 HydrophobicContact CE-CE 3.67Å; M120-M604 HydrophobicContact CE-SD 4.34Å
121V98.7Very high97.8Very high4 Ų421.5 Ų21.52%0.02413%0.131CC..Hα-helixtrans-63-45.7174.2176.90000110.4V39 I67 L117 M118 A119 S123 N124 L125V39-V121 HydrophobicContact CG2-CG2 4.04Å; I67-V121 HydrophobicContact CD1-CG2 3.79Å; L117-V121 PolarHBondContact O-N 2.97Å; M118-V121 PolarHBondContact O-N 3.42Å; M118-V121 HydrophobicContact SD-CB 4.36Å; A119-V121 VanDerWaalsContact C-N 3.3Å; A119-V121 PolarHBondContact O-N 3.19Å; V121-S123 PolarHBondContact O-N 2.87Å; V121-N124 PolarHBondContact O-N 2.79Å; V121-L125 HydrophobicContact CG1-CD1 3.97Å; V121-L125 HydrophobicContact CG1-CG 4.39Å; V121-L125 VanDerWaalsContact O-CG 3.31Å; V121-L125 WeakPolarHBondContact O-CG 3.07Å; V121-L125 PolarHBondContact O-N 2.86Å
122L98.7Very high97.7Very high0 Ų020.9 Ų20.90%013%0.126CC..Hα-helixtrans-63.1-36.7175.7-79.3164.7000113.1F6 L8 M118 A119 N124 L125 K126 I142 A159 A160 A163 L165F6-L122 HydrophobicContact CD2-CD2 4.42Å; L8-L122 HydrophobicContact CD1-CD1 4.42Å; L8-L122 HydrophobicContact CD1-CD2 4.22Å; L8-L122 HydrophobicContact CD1-CG 4.43Å; L8-L122 HydrophobicContact CD2-CD2 3.92Å; L8-L122 HydrophobicContact CD2-CG 4.25Å; M118-L122 HydrophobicContact CG-CD1 4.36Å; M118-L122 PolarHBondContact O-N 2.91Å; A119-L122 CarbonylContact O-C 3.57Å; A119-L122 PolarHBondContact O-N 2.85Å; A119-L122 VanDerWaalsContact O-N 3.11Å; L122-N124 VanDerWaalsContact C-N 3.35Å; L122-N124 PolarHBondContact O-N 3.39Å; L122-L125 PolarHBondContact O-N 3.33Å; L122-K126 VanDerWaalsContact O-CB 3.22Å; L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 2.9Å; L122-I142 HydrophobicContact CD1-CD1 4.45Å; L122-I142 HydrophobicContact CD2-CD1 4.04Å; L122-A159 HydrophobicContact CD1-CB 3.95Å; L122-A160 HydrophobicContact CD1-CB 4.26Å; L122-A163 HydrophobicContact CB-CB 3.67Å; L122-L165 HydrophobicContact CB-CD1 4.18Å; L122-L165 HydrophobicContact CD2-CD1 3.96Å
123S98Very high97.4Very high29 Ų2922.8 Ų22.820%0.20314%0.136CC..Hα-helixtrans-59.6-43.2172.5-630000111.6A119 M120 V121 G127 E601A119-S123 PolarHBondContact O-N 2.92Å; A119-S123 PolarHBondContact O-OG 2.85Å; A119-S123 VanDerWaalsContact O-OG 3.12Å; M120-S123 WeakPolarHBondContact O-CB 3.48Å; M120-S123 PolarHBondContact O-N 2.84Å; V121-S123 PolarHBondContact O-N 2.87Å; S123-G127 PolarHBondContact O-N 2.91Å; S123-E601 PolarHBondContact OG-OE1 2.84Å; S123-E601 VanDerWaalsContact OG-OE1 3.14Å
124N97.9Very high97.2Very high34 Ų3428.4 Ų28.418%0.18217%0.165CC..Hα-helixtrans-68.5-44.8177169.9-109.2000112.3I48 M120 V121 L122 K126 G127 I128I48-N124 HydrophobicContact CB-CB 4.06Å; I48-N124 HydrophobicContact CG2-CB 3.48Å; I48-N124 VanDerWaalsContact CG2-CB 3.48Å; M120-N124 PolarHBondContact O-N 2.88Å; M120-N124 VanDerWaalsContact O-N 3.11Å; V121-N124 PolarHBondContact O-N 2.79Å; L122-N124 VanDerWaalsContact C-N 3.35Å; L122-N124 PolarHBondContact O-N 3.39Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.94Å; N124-G127 PolarHBondContact O-N 2.9Å; N124-G127 VanDerWaalsContact O-N 3.14Å; N124-I128 WeakPolarHBondContact O-CG1 3.41Å; N124-I128 PolarHBondContact O-N 3.37Å
125L98.3Very high96.9Very high1 Ų131.8 Ų31.81%0.00519%0.185CC..Hα-helixtrans-64.4-36.1176.9-63.5171.4000112.3F6 L8 C13 V15 V121 L122 I128 A129F6-L125 HydrophobicContact CD1-CB 3.84Å; F6-L125 HydrophobicContact CD1-CD1 4.38Å; F6-L125 HydrophobicContact CE1-CB 3.66Å; F6-L125 HydrophobicContact CZ-CB 4.5Å; L8-L125 HydrophobicContact CD2-CD1 3.55Å; C13-L125 HydrophobicContact CB-CD1 3.59Å; C13-L125 HydrophobicContact CB-CD2 3.68Å; C13-L125 HydrophobicContact CB-CG 4.22Å; V15-L125 HydrophobicContact CG2-CB 3.98Å; V15-L125 HydrophobicContact CG2-CD2 3.61Å; V15-L125 HydrophobicContact CG2-CG 4.36Å; V121-L125 HydrophobicContact CG1-CD1 3.97Å; V121-L125 HydrophobicContact CG1-CG 4.39Å; V121-L125 VanDerWaalsContact O-CG 3.31Å; V121-L125 WeakPolarHBondContact O-CG 3.07Å; V121-L125 PolarHBondContact O-N 2.86Å; L122-L125 PolarHBondContact O-N 3.33Å; L125-I128 PolarHBondContact O-N 3.3Å; L125-A129 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-N 3.07Å
126K97.7Very high96.7Very high33 Ų3334.2 Ų34.214%0.14321%0.207CC..Hα-helixtrans-60-51168.9174.1178.2173.11670110.9L122 N124 I128 A129 E130 V137 A163 G164 L165L122-K126 VanDerWaalsContact O-CB 3.22Å; L122-K126 WeakPolarHBondContact O-CB 3.43Å; L122-K126 PolarHBondContact O-N 2.9Å; N124-K126 VanDerWaalsContact C-N 3.31Å; N124-K126 PolarHBondContact O-N 2.94Å; K126-I128 VanDerWaalsContact C-N 3.29Å; K126-I128 PolarHBondContact O-N 2.96Å; K126-A129 CarbonylContact O-C 3.54Å; K126-A129 WeakPolarHBondContact O-CA 3.37Å; K126-A129 WeakPolarHBondContact O-CB 3.43Å; K126-A129 PolarHBondContact O-N 3.35Å; K126-E130 VanDerWaalsContact CE-CD 3.47Å; K126-E130 WeakPolarHBondContact CE-OE1 3.27Å; K126-E130 HydrophobicContact CG-CG 4.12Å; K126-E130 IonicContact NZ-OE1 3.16Å; K126-E130 WeakPolarHBondContact O-CG 3.26Å; K126-E130 PolarHBondContact O-N 3.27Å; K126-V137 WeakPolarHBondContact CE-O 3.08Å; K126-V137 HydrophobicContact CG-CB 4.32Å; K126-V137 PolarHBondContact NZ-O 3.03Å; K126-A163 WeakPolarHBondContact CD-O 3.43Å; K126-A163 PolarHBondContact NZ-O 2.99Å; K126-G164 PolarHBondContact NZ-O 3.37Å; K126-L165 HydrophobicContact CB-CD1 4.46Å; K126-L165 HydrophobicContact CB-CD2 4.22Å; K126-L165 HydrophobicContact CD-CD2 3.84Å; K126-L165 HydrophobicContact CD-CG 4.13Å; K126-L165 HydrophobicContact CG-CD2 4.08Å
127G96.6Very high96.5Very high31 Ų3132.7 Ų32.732%0.3220%0.2SC..Hα-helixtrans-56.9-39.1177.700000113.5S123 N124 E130 S131S123-G127 PolarHBondContact O-N 2.91Å; N124-G127 PolarHBondContact O-N 2.9Å; N124-G127 VanDerWaalsContact O-N 3.14Å; G127-E130 PolarHBondContact O-N 2.98Å; G127-S131 WeakPolarHBondContact O-CB 3.45Å; G127-S131 PolarHBondContact O-N 3.35Å
128I97.6Very high96.3Very high12 Ų1236 Ų366%0.06222%0.22CC..Hα-helixtrans-62.7-44.2172.9-69162.5000111.1V15 V26 N28 T35 N124 L125 K126 N132V15-I128 HydrophobicContact CG2-CG2 4.25Å; V26-I128 HydrophobicContact CG2-CG2 3.81Å; N28-I128 HydrophobicContact CB-CD1 3.76Å; N28-I128 HydrophobicContact CB-CG1 4.2Å; N28-I128 HydrophobicContact CB-CG2 4.45Å; T35-I128 HydrophobicContact CG2-CD1 3.94Å; N124-I128 WeakPolarHBondContact O-CG1 3.41Å; N124-I128 PolarHBondContact O-N 3.37Å; L125-I128 PolarHBondContact O-N 3.3Å; K126-I128 VanDerWaalsContact C-N 3.29Å; K126-I128 PolarHBondContact O-N 2.96Å; I128-N132 VanDerWaalsContact O-CB 3.24Å; I128-N132 WeakPolarHBondContact O-CB 3.13Å; I128-N132 PolarHBondContact O-N 2.8Å
129A97.2Very high96.1Very high0 Ų037.2 Ų37.20%023%0.227CC..Hα-helixtrans-65.4-43.1176.300000112.7V4 V15 L125 K126 N132 L133 V137V4-A129 HydrophobicContact CG1-CB 4.03Å; V4-A129 HydrophobicContact CG2-CB 4.31Å; V15-A129 HydrophobicContact CG1-CB 3.88Å; L125-A129 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-N 3.07Å; K126-A129 CarbonylContact O-C 3.54Å; K126-A129 WeakPolarHBondContact O-CA 3.37Å; K126-A129 WeakPolarHBondContact O-CB 3.43Å; K126-A129 PolarHBondContact O-N 3.35Å; A129-N132 PolarHBondContact O-N 3.08Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CG 3.33Å; A129-L133 PolarHBondContact O-N 3.01Å; A129-V137 HydrophobicContact CB-CG1 4.47Å; A129-V137 HydrophobicContact CB-CG2 3.9Å
130E96.1Very high96Very high59 Ų5937.2 Ų37.228%0.27623%0.227SC..Hα-helixtrans-66.1-47.4-179.9-69.5-177140.600111.8K126 G127 N132 L133 N134 T135 A136 V137K126-E130 VanDerWaalsContact CE-CD 3.47Å; K126-E130 WeakPolarHBondContact CE-OE1 3.27Å; K126-E130 HydrophobicContact CG-CG 4.12Å; K126-E130 IonicContact NZ-OE1 3.16Å; K126-E130 WeakPolarHBondContact O-CG 3.26Å; K126-E130 PolarHBondContact O-N 3.27Å; G127-E130 PolarHBondContact O-N 2.98Å; E130-N132 VanDerWaalsContact C-N 3.34Å; E130-N132 PolarHBondContact O-N 3.43Å; E130-L133 PolarHBondContact O-N 3.29Å; E130-N134 WeakPolarHBondContact O-CA 3.43Å; E130-N134 PolarHBondContact O-N 2.76Å; E130-T135 WeakPolarHBondContact CA-O 3.46Å; E130-A136 WeakPolarHBondContact OE1-CA 3.36Å; E130-V137 HydrophobicContact CB-CG2 4.5Å; E130-V137 HydrophobicContact CG-CB 3.62Å; E130-V137 HydrophobicContact CG-CG2 3.59Å; E130-V137 PolarHBondContact OE1-N 3.43Å
131S94.5Very high96Very high93 Ų9337.2 Ų37.265%0.6523%0.227SC*.Hα-helixtrans-59.1-44174.71790000111.5G127G127-S131 WeakPolarHBondContact O-CB 3.45Å; G127-S131 PolarHBondContact O-N 3.35Å
132N94Very high96Very high46 Ų4637 Ų3725%0.24623%0.226CC..Hα-helixtrans-68.6-39.7179.3-169-92.3000112.9R19 V26 I128 A129 E130R19-N132 PolarHBondContact NE-OD1 3.15Å; R19-N132 PolarHBondContact NH2-O 3.04Å; R19-N132 PolarHBondContact NH2-OD1 3.3Å; V26-N132 HydrophobicContact CB-CB 4.13Å; V26-N132 HydrophobicContact CG1-CB 4.09Å; V26-N132 VanDerWaalsContact CG1-CG 3.45Å; V26-N132 WeakPolarHBondContact CG1-OD1 3.49Å; I128-N132 VanDerWaalsContact O-CB 3.24Å; I128-N132 WeakPolarHBondContact O-CB 3.13Å; I128-N132 PolarHBondContact O-N 2.8Å; A129-N132 PolarHBondContact O-N 3.08Å; E130-N132 VanDerWaalsContact C-N 3.34Å; E130-N132 PolarHBondContact O-N 3.43Å
133L92.6Very high96Very high41 Ų4137 Ų3722%0.21523%0.226CC..Hα-helixtrans-88-12.2-176.2-68.8174.3000114.4V4 V17 A129 E130 T135 V137V4-L133 HydrophobicContact CG2-CD1 4.19Å; V17-L133 HydrophobicContact CB-CD1 4.19Å; V17-L133 HydrophobicContact CB-CD2 4.03Å; V17-L133 HydrophobicContact CB-CG 4.37Å; V17-L133 HydrophobicContact CG1-CD1 3.91Å; V17-L133 HydrophobicContact CG1-CD2 4.36Å; V17-L133 HydrophobicContact CG1-CG 4.16Å; V17-L133 HydrophobicContact CG2-CD2 3.88Å; A129-L133 VanDerWaalsContact O-CB 3.3Å; A129-L133 WeakPolarHBondContact O-CB 3.4Å; A129-L133 WeakPolarHBondContact O-CG 3.33Å; A129-L133 PolarHBondContact O-N 3.01Å; E130-L133 PolarHBondContact O-N 3.29Å; L133-T135 HydrophobicContact CB-CG2 3.99Å; L133-T135 PolarHBondContact O-N 3.01Å; L133-V137 HydrophobicContact CD1-CG2 4.24Å
134N93Very high96Very high150 Ų15035.8 Ų35.880%0.80222%0.217SC*.THydrogen-bonded Turntrans52.936.3-170.7-66.4-69.4000113.4E130E130-N134 WeakPolarHBondContact O-CA 3.43Å; E130-N134 PolarHBondContact O-N 2.76Å
135T92.5Very high96Very high79 Ų7934.1 Ų34.149%0.48521%0.208SC..SBendtrans-154155.8177.5-160.40000110.6E130 L133E130-T135 WeakPolarHBondContact CA-O 3.46Å; L133-T135 HydrophobicContact CB-CG2 3.99Å; L133-T135 PolarHBondContact O-N 3.01Å
136A94.1Very high95.9Very high67 Ų6734.1 Ų34.155%0.55421%0.208SC*.  trans-65.9141.8178.500000111.7E130E130-A136 WeakPolarHBondContact OE1-CA 3.36Å
137V95.1Very high95.7Very high0 Ų033.1 Ų33.10%020%0.203CC..  trans-113.4122.2-178.6171.20000109.2V4 K126 A129 E130 L133 L165V4-V137 HydrophobicContact CB-CG1 4.33Å; V4-V137 HydrophobicContact CG2-CG1 3.73Å; V4-V137 HydrophobicContact CG2-CG2 4.05Å; K126-V137 WeakPolarHBondContact CE-O 3.08Å; K126-V137 HydrophobicContact CG-CB 4.32Å; K126-V137 PolarHBondContact NZ-O 3.03Å; A129-V137 HydrophobicContact CB-CG1 4.47Å; A129-V137 HydrophobicContact CB-CG2 3.9Å; E130-V137 HydrophobicContact CB-CG2 4.5Å; E130-V137 HydrophobicContact CG-CB 3.62Å; E130-V137 HydrophobicContact CG-CG2 3.59Å; E130-V137 PolarHBondContact OE1-N 3.43Å; L133-V137 HydrophobicContact CD1-CG2 4.24Å; V137-L165 HydrophobicContact CG1-CD2 3.92Å
138V93.9Very high95.7Very high69 Ų6931.9 Ų31.942%0.41819%0.189SC..  trans-126.8-62.8177.61800000108.6L165 C166V138-L165 WeakPolarHBondContact O-CA 3.36Å; V138-C166 HydrophobicContact CG1-CB 3.95Å; V138-C166 PolarHBondContact O-N 2.78Å
139D94.5Very high95.6Very high34 Ų3432 Ų3218%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-74.5130.1-178-53.5-56000111.4M1 S2 C166 L168M1-D139 WeakPolarHBondContact CE-OD2 3.41Å; M1-D139 HydrophobicContact CG-CB 4.41Å; M1-D139 WeakPolarHBondContact CG-OD2 3.28Å; S2-D139 PolarHBondContact OG-O 3.37Å; D139-C166 WeakPolarHBondContact CA-O 3.29Å; D139-L168 HydrophobicContact CB-CD1 4.23Å; D139-L168 HydrophobicContact CB-CD2 4.19Å; D139-L168 HydrophobicContact CB-CG 4.19Å
140C97.4Very high95.5Very high0 Ų032.1 Ų32.10%019%0.191CC..EExtended strand (participates in β ladder)trans-150.5170.8179.469.80000112.8V4 F6 C166 P167 L168V4-C140 HydrophobicContact CB-CB 4.29Å; V4-C140 CarbonylContact O-C 3.58Å; V4-C140 VanDerWaalsContact O-CA 3.25Å; V4-C140 WeakPolarHBondContact O-CA 3.33Å; V4-C140 WeakPolarHBondContact O-CB 3.39Å; F6-C140 HydrophobicContact CD2-CB 3.84Å; F6-C140 HydrophobicContact CE2-CB 3.6Å; C140-C166 PolarHBondContact N-O 3.35Å; C140-P167 CarbonylContact O-C 3.38Å; C140-P167 WeakPolarHBondContact O-CA 3.41Å; C140-L168 PolarHBondContact O-N 3.14Å
141C98.3Very high95.5Very high0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-120.6141.3159.5-73.80000110V4 G5 F6 R169 C373 C377V4-C141 PolarHBondContact O-N 2.97Å; G5-C141 WeakPolarHBondContact CA-O 3.45Å; F6-C141 PolarHBondContact N-O 2.93Å; C141-R169 WeakPolarHBondContact CA-O 3.47Å; C141-C373 HydrophobicContact CB-CB 4.11Å; C141-C373 VanDerWaalsContact CB-O 3.3Å; C141-C373 WeakPolarHBondContact CB-O 3.29Å; C141-C377 HydrophobicContact CB-CB 4Å; C141-C377 VanDerWaalsContact SG-CA 3.58Å
142I98.8Very high95.6Very high0 Ų026.3 Ų26.30%015%0.154CC..EExtended strand (participates in β ladder)trans-118.1124.3-174.6-59.5176.2000109.6F6 L8 L122 I144 V156 A160 P167 R169 L170 F171F6-I142 HydrophobicContact CB-CG1 4.43Å; F6-I142 HydrophobicContact CD2-CG1 4.16Å; L8-I142 HydrophobicContact CD1-CG2 3.39Å; L8-I142 HydrophobicContact CG-CG2 3.83Å; L122-I142 HydrophobicContact CD1-CD1 4.45Å; L122-I142 HydrophobicContact CD2-CD1 4.04Å; I142-I144 HydrophobicContact CG2-CG2 4.31Å; I142-V156 HydrophobicContact CD1-CG1 4.28Å; I142-V156 HydrophobicContact CG2-CG1 3.94Å; I142-A160 HydrophobicContact CD1-CB 3.97Å; I142-P167 HydrophobicContact CD1-CB 4.16Å; I142-P167 HydrophobicContact CD1-CG 3.7Å; I142-P167 HydrophobicContact CG1-CB 4.47Å; I142-P167 HydrophobicContact CG1-CG 4.48Å; I142-R169 PolarHBondContact N-O 3.21Å; I142-R169 VanDerWaalsContact N-O 3.16Å; I142-L170 HydrophobicContact CB-CD2 3.79Å; I142-L170 HydrophobicContact CD1-CD2 4.28Å; I142-L170 HydrophobicContact CG1-CD2 4.45Å; I142-L170 HydrophobicContact CG2-CD2 4.34Å; I142-L170 WeakPolarHBondContact O-CA 3.33Å; I142-F171 PolarHBondContact O-N 2.98Å
143G98.5Very high95.8Very high0 Ų024.1 Ų24.10%014%0.143CC..EExtended strand (participates in β ladder)trans-70126.9171.900000110.6F6 F171 C373F6-G143 PolarHBondContact O-N 2.9Å; G143-F171 WeakPolarHBondContact CA-O 3.31Å; G143-C373 VanDerWaalsContact CA-SG 3.57Å; G143-C373 PolarHBondContact N-SG 3.45Å; G143-C373 VanDerWaalsContact N-SG 3.37Å
144I98.2Very high96.1Very high2 Ų223.8 Ų23.81%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-132.5153.9175.656.8160.1000111.2I142 F148 R153 V156 L170 F171 H172 E173I142-I144 HydrophobicContact CG2-CG2 4.31Å; I144-F148 HydrophobicContact CB-CD2 4.19Å; I144-F148 HydrophobicContact CD1-CB 4.41Å; I144-F148 HydrophobicContact CG2-CD2 4.33Å; I144-R153 HydrophobicContact CD1-CG 3.77Å; I144-V156 HydrophobicContact CG2-CG1 4.15Å; I144-V156 HydrophobicContact CG2-CG2 4.27Å; I144-L170 HydrophobicContact CD1-CB 3.77Å; I144-L170 HydrophobicContact CD1-CD1 4.24Å; I144-L170 HydrophobicContact CG1-CB 4.16Å; I144-F171 WeakPolarHBondContact CG1-O 3.49Å; I144-F171 PolarHBondContact N-O 2.77Å; I144-H172 CarbonylContact O-C 3.6Å; I144-H172 WeakPolarHBondContact O-CA 3.21Å; I144-E173 VanDerWaalsContact CA-OE1 3.22Å; I144-E173 WeakPolarHBondContact CA-OE1 3.4Å; I144-E173 WeakPolarHBondContact O-CG 3.41Å; I144-E173 PolarHBondContact O-N 3.05Å
145P97.3Very high96.3Very high0 Ų016.8 Ų16.80%010%0.102CC..  trans-67144.8176.5-19.732.8000109.8K68 Y147 F148 E173K68-P145 HydrophobicContact CD-CG 4.43Å; K68-P145 VanDerWaalsContact CE-CD 3.42Å; P145-Y147 HydrophobicContact CB-CD1 3.82Å; P145-Y147 HydrophobicContact CB-CD2 4.22Å; P145-Y147 HydrophobicContact CB-CE1 3.44Å; P145-Y147 VanDerWaalsContact CB-CE1 3.44Å; P145-Y147 HydrophobicContact CB-CE2 3.86Å; P145-Y147 HydrophobicContact CB-CG 4.19Å; P145-Y147 VanDerWaalsContact CB-CZ 3.44Å; P145-Y147 HydrophobicContact CG-CE1 4.36Å; P145-Y147 HydrophobicContact CG-CE2 4.31Å; P145-Y147 PolarHBondContact O-N 3.41Å; P145-F148 HydrophobicContact CB-CD1 3.96Å; P145-F148 HydrophobicContact CB-CE1 4.31Å; P145-F148 HydrophobicContact CG-CD1 3.74Å; P145-F148 HydrophobicContact CG-CE1 3.63Å; P145-F148 HydrophobicContact CG-CG 4.44Å; P145-F148 HydrophobicContact CG-CZ 4.23Å; P145-F148 WeakPolarHBondContact O-CB 3.37Å; P145-F148 PolarHBondContact O-N 3.45Å; P145-E173 WeakPolarHBondContact CA-OE2 3.3Å; P145-E173 WeakPolarHBondContact CD-OE1 3.5Å; P145-E173 VanDerWaalsContact N-CD 3.32Å
146V95.7Very high96.6Very high1 Ų113.1 Ų13.11%0.0068%0.079CC..THydrogen-bonded Turntrans-60.6-34-177.9690000111.9F148 R153 H172 H223 Y225 P396V146-F148 PolarHBondContact O-N 3.29Å; V146-R153 PolarHBondContact O-NH2 2.82Å; V146-H172 HydrophobicContact CB-CB 4.39Å; V146-H172 HydrophobicContact CG2-CB 4.47Å; V146-H223 HydrophobicContact CG1-CB 4.47Å; V146-H223 HydrophobicContact CG2-CB 3.75Å; V146-Y225 HydrophobicContact CG1-CD1 4.02Å; V146-P396 HydrophobicContact CG2-CB 3.66Å; V146-P396 HydrophobicContact CG2-CG 3.66Å; V146-P396 VanDerWaalsContact O-CG 3.29Å; V146-P396 WeakPolarHBondContact O-CG 3.39Å
147Y94.4Very high96.9Very high12 Ų1211.5 Ų11.55%0.0476%0.061CC..THydrogen-bonded Turntrans-74.51.2178.161.6-101.7000115.3P145 T149 S205 Q207 Y225 R227P145-Y147 HydrophobicContact CB-CD1 3.82Å; P145-Y147 HydrophobicContact CB-CD2 4.22Å; P145-Y147 HydrophobicContact CB-CE1 3.44Å; P145-Y147 VanDerWaalsContact CB-CE1 3.44Å; P145-Y147 HydrophobicContact CB-CE2 3.86Å; P145-Y147 HydrophobicContact CB-CG 4.19Å; P145-Y147 VanDerWaalsContact CB-CZ 3.44Å; P145-Y147 HydrophobicContact CG-CE1 4.36Å; P145-Y147 HydrophobicContact CG-CE2 4.31Å; P145-Y147 PolarHBondContact O-N 3.41Å; Y147-T149 PolarHBondContact O-N 3.31Å; Y147-S205 WeakPolarHBondContact OH-CB 3.49Å; Y147-S205 PolarHBondContact OH-OG 2.89Å; Y147-Q207 HydrophobicContact CE1-CG 4.31Å; Y147-Y225 HydrophobicContact CD1-CD1 4.46Å; Y147-Y225 HydrophobicContact CD1-CD2 4Å; Y147-Y225 AromaticContact CD1-CG 3.87Å; Y147-Y225 HydrophobicContact CD1-CG 3.87Å; Y147-Y225 HydrophobicContact CG-CD2 4.09Å; Y147-Y225 HydrophobicContact CG-CE2 4.33Å; Y147-Y225 HydrophobicContact CG-CG 4.23Å; Y147-R227 HydrophobicContact CD1-CG 4.33Å; Y147-R227 HydrophobicContact CD2-CG 4Å; Y147-R227 HydrophobicContact CE2-CG 4.29Å; Y147-R227 HydrophobicContact CG-CG 4.03Å
148F95.8Very high97Very high4 Ų412.6 Ų12.62%0.0187%0.067CC..  trans-64.6124.3173.7-92.926.8000110.7K68 L71 I144 P145 V146 Q152 R153 V156K68-F148 HydrophobicContact CG-CE1 4.44Å; K68-F148 HydrophobicContact CG-CZ 3.8Å; L71-F148 HydrophobicContact CD1-CE2 4.35Å; I144-F148 HydrophobicContact CB-CD2 4.19Å; I144-F148 HydrophobicContact CD1-CB 4.41Å; I144-F148 HydrophobicContact CG2-CD2 4.33Å; P145-F148 HydrophobicContact CB-CD1 3.96Å; P145-F148 HydrophobicContact CB-CE1 4.31Å; P145-F148 HydrophobicContact CG-CD1 3.74Å; P145-F148 HydrophobicContact CG-CE1 3.63Å; P145-F148 HydrophobicContact CG-CG 4.44Å; P145-F148 HydrophobicContact CG-CZ 4.23Å; P145-F148 WeakPolarHBondContact O-CB 3.37Å; P145-F148 PolarHBondContact O-N 3.45Å; V146-F148 PolarHBondContact O-N 3.29Å; F148-Q152 HydrophobicContact CB-CB 3.95Å; F148-Q152 HydrophobicContact CD1-CB 4.32Å; F148-Q152 HydrophobicContact CD2-CB 3.66Å; F148-Q152 HydrophobicContact CE2-CB 4.16Å; F148-Q152 HydrophobicContact CG-CB 3.74Å; F148-R153 HydrophobicContact CB-CG 4.3Å; F148-R153 PolarHBondContact O-NE 3.36Å; F148-R153 PolarHBondContact O-NH2 3.1Å; F148-V156 HydrophobicContact CD2-CG2 4.31Å; F148-V156 HydrophobicContact CE2-CG2 3.92Å
149T95.1Very high97.3Very high16 Ų169.3 Ų9.310%0.0985%0.047CC..  trans-71.5165.7175.970.50000111.5Y147 L151 Q152 R153 Y444 I452Y147-T149 PolarHBondContact O-N 3.31Å; T149-L151 PolarHBondContact O-N 3.49Å; T149-Q152 CarbonylContact O-C 3.54Å; T149-Q152 WeakPolarHBondContact O-CA 3.38Å; T149-Q152 PolarHBondContact O-N 3.42Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.28Å; T149-Q152 PolarHBondContact OG1-N 2.89Å; T149-R153 WeakPolarHBondContact O-CG 3.39Å; T149-R153 PolarHBondContact O-N 3.26Å; T149-Y444 WeakPolarHBondContact CB-OH 3.48Å; T149-I452 HydrophobicContact CG2-CD1 4.31Å; T149-I452 HydrophobicContact CG2-CG1 4.15Å; T149-I452 HydrophobicContact CG2-CG2 4.14Å
150D96.2Very high97.5Very high1 Ų17.7 Ų7.71%0.0054%0.039CC..Hα-helixtrans-43.5-46.6170-173.7-82.4000112.7R153 R154 Y444 I456 V485 V486D150-R153 WeakPolarHBondContact O-CB 3.49Å; D150-R153 PolarHBondContact O-N 3.17Å; D150-R154 WeakPolarHBondContact O-CG 3.45Å; D150-R154 PolarHBondContact O-N 3.37Å; D150-R154 WeakPolarHBondContact OD1-CD 3.46Å; D150-R154 IonicContact OD1-CZ 2.6Å; D150-R154 IonicContact OD1-NE 2.77Å; D150-R154 PolarHBondContact OD1-NE 3.02Å; D150-R154 IonicContact OD1-NH2 3.16Å; D150-Y444 VanDerWaalsContact CB-OH 3.29Å; D150-Y444 WeakPolarHBondContact CB-OH 3.49Å; D150-Y444 PolarHBondContact N-OH 2.99Å; D150-I456 HydrophobicContact CB-CG2 3.82Å; D150-I456 WeakPolarHBondContact OD1-CG2 3.32Å; D150-V485 VanDerWaalsContact OD2-CA 3.3Å; D150-V485 WeakPolarHBondContact OD2-CA 3.45Å; D150-V485 WeakPolarHBondContact OD2-CG1 3.42Å; D150-V486 PolarHBondContact OD2-N 3.22Å
151L96Very high97.5Very high26 Ų2610.9 Ų10.914%0.1366%0.058CC..Hα-helixtrans-66.3-39.9177.3178.759.7000112.6F98 T149 R153 R154 A155 G587 A588F98-L151 HydrophobicContact CE1-CD2 3.67Å; F98-L151 HydrophobicContact CZ-CD2 3.73Å; T149-L151 PolarHBondContact O-N 3.49Å; L151-R153 VanDerWaalsContact C-N 3.32Å; L151-R154 PolarHBondContact O-N 2.92Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.33Å; L151-G587 VanDerWaalsContact CD1-C 3.47Å; L151-G587 WeakPolarHBondContact CD1-O 3.44Å; L151-A588 HydrophobicContact CD1-CB 4.19Å
152Q97.4Very high97.5Very high4 Ų411.2 Ų11.22%0.0196%0.06CC..Hα-helixtrans-69.1-33176.2-60.3-172.7-78.700111.7L71 F148 T149 V156L71-Q152 WeakPolarHBondContact O-CG 3.49Å; L71-Q152 PolarHBondContact O-NE2 2.7Å; F148-Q152 HydrophobicContact CB-CB 3.95Å; F148-Q152 HydrophobicContact CD1-CB 4.32Å; F148-Q152 HydrophobicContact CD2-CB 3.66Å; F148-Q152 HydrophobicContact CE2-CB 4.16Å; F148-Q152 HydrophobicContact CG-CB 3.74Å; T149-Q152 CarbonylContact O-C 3.54Å; T149-Q152 WeakPolarHBondContact O-CA 3.38Å; T149-Q152 PolarHBondContact O-N 3.42Å; T149-Q152 WeakPolarHBondContact OG1-CG 3.28Å; T149-Q152 PolarHBondContact OG1-N 2.89Å; Q152-V156 WeakPolarHBondContact O-CG2 3.3Å; Q152-V156 PolarHBondContact O-N 2.66Å; Q152-V156 VanDerWaalsContact O-N 3.17Å
153R98.2Very high97.5Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-67.3-47173-69.4165.4-172.6-99.5-4.4111.1I144 V146 F148 T149 D150 L151 A155 V156 L157 L170 H172 H483 G484 V485I144-R153 HydrophobicContact CD1-CG 3.77Å; V146-R153 PolarHBondContact O-NH2 2.82Å; F148-R153 HydrophobicContact CB-CG 4.3Å; F148-R153 PolarHBondContact O-NE 3.36Å; F148-R153 PolarHBondContact O-NH2 3.1Å; T149-R153 WeakPolarHBondContact O-CG 3.39Å; T149-R153 PolarHBondContact O-N 3.26Å; D150-R153 WeakPolarHBondContact O-CB 3.49Å; D150-R153 PolarHBondContact O-N 3.17Å; L151-R153 VanDerWaalsContact C-N 3.32Å; R153-A155 PolarHBondContact O-N 2.96Å; R153-V156 PolarHBondContact O-N 2.99Å; R153-V156 VanDerWaalsContact O-N 3.14Å; R153-L157 PolarHBondContact O-N 3.35Å; R153-L170 HydrophobicContact CB-CD1 4Å; R153-L170 HydrophobicContact CG-CD1 4.39Å; R153-L170 WeakPolarHBondContact O-CD1 3.43Å; R153-H172 PolarHBondContact NH2-CD2 2.89Å; R153-H483 WeakPolarHBondContact CD-O 3.46Å; R153-H483 PolarHBondContact NH1-O 3.09Å; R153-G484 WeakPolarHBondContact CD-O 3.23Å; R153-V485 HydrophobicContact CB-CG2 3.66Å
154R98Very high97.5Very high34 Ų3413.3 Ų13.313%0.1288%0.081CC..Hα-helixtrans-57.2-47.4172.4-72176.4-173.9-107.613.2111D150 L151 V156 L157 D158 V485 V486 E583D150-R154 WeakPolarHBondContact O-CG 3.45Å; D150-R154 PolarHBondContact O-N 3.37Å; D150-R154 WeakPolarHBondContact OD1-CD 3.46Å; D150-R154 IonicContact OD1-CZ 2.6Å; D150-R154 IonicContact OD1-NE 2.77Å; D150-R154 PolarHBondContact OD1-NE 3.02Å; D150-R154 IonicContact OD1-NH2 3.16Å; L151-R154 PolarHBondContact O-N 2.92Å; R154-V156 PolarHBondContact O-N 3.4Å; R154-V156 VanDerWaalsContact O-N 3.17Å; R154-L157 CarbonylContact O-C 3.57Å; R154-L157 WeakPolarHBondContact O-CA 3.18Å; R154-L157 WeakPolarHBondContact O-CB 3.35Å; R154-L157 PolarHBondContact O-N 3.49Å; R154-D158 WeakPolarHBondContact O-CB 3.48Å; R154-D158 PolarHBondContact O-N 2.68Å; R154-V485 HydrophobicContact CG-CG1 3.9Å; R154-V485 HydrophobicContact CG-CG2 4.04Å; R154-V486 PolarHBondContact NH2-O 3.33Å; R154-E583 IonicContact CZ-OE1 3.78Å; R154-E583 IonicContact NH1-OE1 2.69Å; R154-E583 IonicContact NH2-OE1 3.03Å; R154-E583 PolarHBondContact NH2-OE1 2.35Å
155A98.2Very high97.5Very high4 Ų413.7 Ų13.73%0.0338%0.082CC..Hα-helixtrans-59.4-28.9176.500000114.1L71 T115 L151 R153 A159L71-A155 HydrophobicContact CD2-CB 4.14Å; T115-A155 WeakPolarHBondContact CG2-O 3.31Å; L151-A155 WeakPolarHBondContact O-CB 3.45Å; L151-A155 PolarHBondContact O-N 3.33Å; R153-A155 PolarHBondContact O-N 2.96Å; A155-A159 VanDerWaalsContact O-CB 3.28Å; A155-A159 WeakPolarHBondContact O-CB 3.3Å; A155-A159 PolarHBondContact O-N 3.5Å
156V98.7Very high97.4Very high2 Ų216.8 Ų16.81%0.01210%0.103CC..Hα-helixtrans-77.9-36.4172.2174.80000112L8 L71 I142 I144 F148 Q152 R153 R154 A159 A160 L170L8-V156 HydrophobicContact CD1-CG1 4.34Å; L71-V156 HydrophobicContact CD1-CG2 4.08Å; I142-V156 HydrophobicContact CD1-CG1 4.28Å; I142-V156 HydrophobicContact CG2-CG1 3.94Å; I144-V156 HydrophobicContact CG2-CG1 4.15Å; I144-V156 HydrophobicContact CG2-CG2 4.27Å; F148-V156 HydrophobicContact CD2-CG2 4.31Å; F148-V156 HydrophobicContact CE2-CG2 3.92Å; Q152-V156 WeakPolarHBondContact O-CG2 3.3Å; Q152-V156 PolarHBondContact O-N 2.66Å; Q152-V156 VanDerWaalsContact O-N 3.17Å; R153-V156 PolarHBondContact O-N 2.99Å; R153-V156 VanDerWaalsContact O-N 3.14Å; R154-V156 PolarHBondContact O-N 3.4Å; R154-V156 VanDerWaalsContact O-N 3.17Å; V156-A159 PolarHBondContact O-N 2.74Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 3.11Å; V156-L170 HydrophobicContact CB-CD1 4.13Å; V156-L170 HydrophobicContact CG1-CD1 4.19Å; V156-L170 HydrophobicContact CG1-CD2 3.73Å
157L98.7Very high97.5Very high32 Ų3217.3 Ų17.317%0.16811%0.107CC..Hα-helixtrans-64.9-41.4171.9-64.9174.8000111.7R153 R154 A160 T161 P167 L170 H483 V485R153-L157 PolarHBondContact O-N 3.35Å; R154-L157 CarbonylContact O-C 3.57Å; R154-L157 WeakPolarHBondContact O-CA 3.18Å; R154-L157 WeakPolarHBondContact O-CB 3.35Å; R154-L157 PolarHBondContact O-N 3.49Å; L157-A160 PolarHBondContact O-N 3.38Å; L157-T161 WeakPolarHBondContact O-CB 3.43Å; L157-T161 PolarHBondContact O-N 3.42Å; L157-T161 PolarHBondContact O-OG1 3.4Å; L157-P167 HydrophobicContact CD2-CB 4.13Å; L157-P167 HydrophobicContact CD2-CG 4.1Å; L157-L170 HydrophobicContact CD2-CD1 4Å; L157-L170 HydrophobicContact CD2-CD2 4.04Å; L157-L170 HydrophobicContact CD2-CG 3.85Å; L157-L170 HydrophobicContact CG-CD1 3.94Å; L157-L170 HydrophobicContact CG-CG 4.36Å; L157-H483 HydrophobicContact CD1-CB 4.35Å; L157-V485 HydrophobicContact CD1-CG2 4.29Å
158D98.6Very high97.6Very high24 Ų2418.9 Ų18.913%0.12812%0.116CC..Hα-helixtrans-62.2-47.3175-65-23.4000110.3T115 R154 A160 T161 I162 L589 L594T115-D158 HydrophobicContact CG2-CB 3.61Å; R154-D158 WeakPolarHBondContact O-CB 3.48Å; R154-D158 PolarHBondContact O-N 2.68Å; D158-A160 VanDerWaalsContact C-N 3.35Å; D158-A160 PolarHBondContact O-N 3.49Å; D158-T161 WeakPolarHBondContact O-CB 3.31Å; D158-T161 PolarHBondContact O-N 3.33Å; D158-I162 WeakPolarHBondContact O-CD1 3.21Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 3.16Å; D158-L589 HydrophobicContact CB-CD1 4.14Å; D158-L594 HydrophobicContact CB-CD1 3.87Å
159A98.8Very high97.7Very high0 Ų019.1 Ų19.10%012%0.117CC..Hα-helixtrans-61.2-40.5176.100000112.7T115 M118 A119 L122 A155 V156 I162 A163T115-A159 HydrophobicContact CG2-CB 4.16Å; T115-A159 WeakPolarHBondContact O-CB 3.22Å; M118-A159 HydrophobicContact CB-CB 3.99Å; M118-A159 HydrophobicContact CG-CB 4.05Å; A119-A159 HydrophobicContact CB-CB 4.26Å; A119-A159 VanDerWaalsContact CB-O 3.28Å; A119-A159 WeakPolarHBondContact CB-O 2.94Å; L122-A159 HydrophobicContact CD1-CB 3.95Å; A155-A159 VanDerWaalsContact O-CB 3.28Å; A155-A159 WeakPolarHBondContact O-CB 3.3Å; A155-A159 PolarHBondContact O-N 3.5Å; V156-A159 PolarHBondContact O-N 2.74Å; A159-I162 PolarHBondContact O-N 2.93Å; A159-A163 PolarHBondContact O-N 3.44Å
160A98.7Very high97.9Very high0 Ų018.5 Ų18.50%011%0.112CC..Hα-helixtrans-65.6-39.8174.200000112.1L122 I142 V156 L157 D158 I162 A163 G164 L165 P167L122-A160 HydrophobicContact CD1-CB 4.26Å; I142-A160 HydrophobicContact CD1-CB 3.97Å; V156-A160 WeakPolarHBondContact O-CB 3.29Å; V156-A160 PolarHBondContact O-N 3.11Å; L157-A160 PolarHBondContact O-N 3.38Å; D158-A160 VanDerWaalsContact C-N 3.35Å; D158-A160 PolarHBondContact O-N 3.49Å; A160-I162 VanDerWaalsContact C-N 3.35Å; A160-I162 PolarHBondContact O-N 3.35Å; A160-A163 CarbonylContact O-C 3.6Å; A160-A163 PolarHBondContact O-N 3.01Å; A160-G164 PolarHBondContact O-N 2.77Å; A160-G164 VanDerWaalsContact O-N 3.14Å; A160-L165 HydrophobicContact CB-CB 4.15Å; A160-L165 PolarHBondContact O-N 2.93Å; A160-P167 HydrophobicContact CB-CG 3.39Å
161T98.6Very high98Very high66 Ų6618.4 Ų18.441%0.40511%0.112SC..Hα-helixtrans-61.7-43175.6-56.10000111.1L157 D158 A163 G164 L594L157-T161 WeakPolarHBondContact O-CB 3.43Å; L157-T161 PolarHBondContact O-N 3.42Å; L157-T161 PolarHBondContact O-OG1 3.4Å; D158-T161 WeakPolarHBondContact O-CB 3.31Å; D158-T161 PolarHBondContact O-N 3.33Å; T161-A163 VanDerWaalsContact C-N 3.35Å; T161-A163 PolarHBondContact O-N 3.17Å; T161-G164 PolarHBondContact O-N 3.16Å; T161-G164 VanDerWaalsContact O-N 3.09Å; T161-L594 HydrophobicContact CG2-CD2 4.25Å
162I98.8Very high98.1Very high8 Ų817.2 Ų17.24%0.04111%0.106CC..Hα-helixtrans-63.2-38.3175.5-65158.7000111.7T115 A119 D158 A159 A160 G164 L594 A597 V598 E601T115-I162 HydrophobicContact CG2-CD1 4.06Å; A119-I162 HydrophobicContact CB-CB 3.55Å; A119-I162 HydrophobicContact CB-CD1 4.35Å; A119-I162 HydrophobicContact CB-CG2 3.38Å; D158-I162 WeakPolarHBondContact O-CD1 3.21Å; D158-I162 VanDerWaalsContact O-CG1 3.28Å; D158-I162 WeakPolarHBondContact O-CG1 3.49Å; D158-I162 PolarHBondContact O-N 3.16Å; A159-I162 PolarHBondContact O-N 2.93Å; A160-I162 VanDerWaalsContact C-N 3.35Å; A160-I162 PolarHBondContact O-N 3.35Å; I162-G164 PolarHBondContact O-N 3.34Å; I162-L594 HydrophobicContact CD1-CD1 3.89Å; I162-L594 HydrophobicContact CG1-CD1 3.72Å; I162-A597 HydrophobicContact CD1-CB 3.54Å; I162-A597 HydrophobicContact CG1-CB 3.81Å; I162-A597 WeakPolarHBondContact CG2-O 3.46Å; I162-V598 HydrophobicContact CG1-CG2 4.14Å; I162-E601 HydrophobicContact CG2-CB 3.5Å; I162-E601 VanDerWaalsContact CG2-CB 3.5Å; I162-E601 HydrophobicContact CG2-CG 3.92Å
163A98.4Very high98.1Very high8 Ų817.5 Ų17.57%0.06611%0.107CC..THydrogen-bonded Turntrans-75.9-1.1174.200000114.5L122 K126 A159 A160 T161 L165L122-A163 HydrophobicContact CB-CB 3.67Å; K126-A163 WeakPolarHBondContact CD-O 3.43Å; K126-A163 PolarHBondContact NZ-O 2.99Å; A159-A163 PolarHBondContact O-N 3.44Å; A160-A163 CarbonylContact O-C 3.6Å; A160-A163 PolarHBondContact O-N 3.01Å; T161-A163 VanDerWaalsContact C-N 3.35Å; T161-A163 PolarHBondContact O-N 3.17Å; A163-L165 HydrophobicContact CB-CD1 4.3Å; A163-L165 HydrophobicContact CB-CG 4.45Å
164G97.5Very high98Very high36 Ų3617.5 Ų17.537%0.37111%0.107SC..THydrogen-bonded Turntrans65.241.9-175.700000113.3K126 A160 T161 I162K126-G164 PolarHBondContact NZ-O 3.37Å; A160-G164 PolarHBondContact O-N 2.77Å; A160-G164 VanDerWaalsContact O-N 3.14Å; T161-G164 PolarHBondContact O-N 3.16Å; T161-G164 VanDerWaalsContact O-N 3.09Å; I162-G164 PolarHBondContact O-N 3.34Å
165L98Very high98.1Very high9 Ų915.9 Ų15.95%0.04710%0.101CC..  trans-114151.8173.6-69.1170.5000110.6F6 L122 K126 V137 V138 A160 A163F6-L165 HydrophobicContact CE2-CD1 3.82Å; F6-L165 HydrophobicContact CE2-CD2 4.23Å; F6-L165 HydrophobicContact CZ-CD1 4.4Å; L122-L165 HydrophobicContact CB-CD1 4.18Å; L122-L165 HydrophobicContact CD2-CD1 3.96Å; K126-L165 HydrophobicContact CB-CD1 4.46Å; K126-L165 HydrophobicContact CB-CD2 4.22Å; K126-L165 HydrophobicContact CD-CD2 3.84Å; K126-L165 HydrophobicContact CD-CG 4.13Å; K126-L165 HydrophobicContact CG-CD2 4.08Å; V137-L165 HydrophobicContact CG1-CD2 3.92Å; V138-L165 WeakPolarHBondContact O-CA 3.36Å; A160-L165 HydrophobicContact CB-CB 4.15Å; A160-L165 PolarHBondContact O-N 2.93Å; A163-L165 HydrophobicContact CB-CD1 4.3Å; A163-L165 HydrophobicContact CB-CG 4.45Å
166C96.4Very high98.1Very high65 Ų6515.7 Ų15.744%0.43910%0.1SC..EExtended strand (participates in β ladder)trans-117.498.3171.4-160.90000109.8V138 D139 C140 L168V138-C166 HydrophobicContact CG1-CB 3.95Å; V138-C166 PolarHBondContact O-N 2.78Å; D139-C166 WeakPolarHBondContact CA-O 3.29Å; C140-C166 PolarHBondContact N-O 3.35Å; C166-L168 PolarHBondContact O-N 2.94Å; C166-L168 VanDerWaalsContact O-N 3.17Å
167P97.7Very high98Very high13 Ų1315.7 Ų15.78%0.08410%0.1CC..EExtended strand (participates in β ladder)trans-68.9112.9177-20.534.1000110.6C140 I142 L157 A160 R169 L170 H483C140-P167 CarbonylContact O-C 3.38Å; C140-P167 WeakPolarHBondContact O-CA 3.41Å; I142-P167 HydrophobicContact CD1-CB 4.16Å; I142-P167 HydrophobicContact CD1-CG 3.7Å; I142-P167 HydrophobicContact CG1-CB 4.47Å; I142-P167 HydrophobicContact CG1-CG 4.48Å; L157-P167 HydrophobicContact CD2-CB 4.13Å; L157-P167 HydrophobicContact CD2-CG 4.1Å; A160-P167 HydrophobicContact CB-CG 3.39Å; P167-R169 PolarHBondContact O-N 3.41Å; P167-L170 HydrophobicContact CB-CD2 4.07Å; P167-H483 PolarHBondContact O-CE1 3.12Å
168L96.8Very high98Very high44 Ų4414.2 Ų14.223%0.239%0.092CC..EExtended strand (participates in β ladder)trans-64.3-33.6172-56.8-175.4000111.1D139 C140 C166 L380 I482D139-L168 HydrophobicContact CB-CD1 4.23Å; D139-L168 HydrophobicContact CB-CD2 4.19Å; D139-L168 HydrophobicContact CB-CG 4.19Å; C140-L168 PolarHBondContact O-N 3.14Å; C166-L168 PolarHBondContact O-N 2.94Å; C166-L168 VanDerWaalsContact O-N 3.17Å; L168-L380 HydrophobicContact CB-CB 4.28Å; L168-L380 HydrophobicContact CB-CD1 3.95Å; L168-L380 HydrophobicContact CD1-CB 3.95Å; L168-I482 WeakPolarHBondContact O-CG2 3.46Å
169R97.7Very high97.9Very high10 Ų1013 Ų134%0.0389%0.086CC..EExtended strand (participates in β ladder)trans-150.9139.5173.2-174.1167.7-176.8175.3-3.1110.9C141 I142 P167 F171 E376 L380 D393 I482C141-R169 WeakPolarHBondContact CA-O 3.47Å; I142-R169 PolarHBondContact N-O 3.21Å; I142-R169 VanDerWaalsContact N-O 3.16Å; P167-R169 PolarHBondContact O-N 3.41Å; R169-F171 HydrophobicContact CG-CB 4.26Å; R169-E376 HydrophobicContact CB-CG 4.43Å; R169-E376 WeakPolarHBondContact CD-OE1 3.39Å; R169-E376 IonicContact CZ-OE1 2.88Å; R169-E376 IonicContact NE-OE1 2.57Å; R169-E376 IonicContact NH1-OE1 3.97Å; R169-E376 PolarHBondContact NH1-OE1 3.33Å; R169-E376 IonicContact NH1-OE2 3.71Å; R169-L380 HydrophobicContact CB-CD1 3.73Å; R169-D393 IonicContact NH2-OD2 3.82Å; R169-D393 PolarHBondContact NH2-OD2 3.38Å; R169-I482 HydrophobicContact CB-CD1 4.49Å; R169-I482 HydrophobicContact CB-CG1 4.45Å; R169-I482 HydrophobicContact CG-CD1 4.47Å; R169-I482 HydrophobicContact CG-CG1 4.03Å
170L98.6Very high97.8Very high2 Ų213.6 Ų13.61%0.019%0.09CC..EExtended strand (participates in β ladder)trans-89.2120.3155.8-61.4-170.2000106.5I142 I144 R153 V156 L157 P167 H483I142-L170 HydrophobicContact CB-CD2 3.79Å; I142-L170 HydrophobicContact CD1-CD2 4.28Å; I142-L170 HydrophobicContact CG1-CD2 4.45Å; I142-L170 HydrophobicContact CG2-CD2 4.34Å; I142-L170 WeakPolarHBondContact O-CA 3.33Å; I144-L170 HydrophobicContact CD1-CB 3.77Å; I144-L170 HydrophobicContact CD1-CD1 4.24Å; I144-L170 HydrophobicContact CG1-CB 4.16Å; R153-L170 HydrophobicContact CB-CD1 4Å; R153-L170 HydrophobicContact CG-CD1 4.39Å; R153-L170 WeakPolarHBondContact O-CD1 3.43Å; V156-L170 HydrophobicContact CB-CD1 4.13Å; V156-L170 HydrophobicContact CG1-CD1 4.19Å; V156-L170 HydrophobicContact CG1-CD2 3.73Å; L157-L170 HydrophobicContact CD2-CD1 4Å; L157-L170 HydrophobicContact CD2-CD2 4.04Å; L157-L170 HydrophobicContact CD2-CG 3.85Å; L157-L170 HydrophobicContact CG-CD1 3.94Å; L157-L170 HydrophobicContact CG-CG 4.36Å; P167-L170 HydrophobicContact CB-CD2 4.07Å; L170-H483 HydrophobicContact CB-CB 3.98Å; L170-H483 HydrophobicContact CD1-CB 4.22Å; L170-H483 HydrophobicContact CG-CB 3.92Å; L170-H483 PolarHBondContact N-ND1 3.48Å
171F98Very high97.6Very high0 Ų014.1 Ų14.10%09%0.092CC..EExtended strand (participates in β ladder)trans-118.5135.9-165.3-162.5-154.1000109.5I142 G143 I144 R169 E173 T175 A176 L179 E376 V391I142-F171 PolarHBondContact O-N 2.98Å; G143-F171 WeakPolarHBondContact CA-O 3.31Å; I144-F171 WeakPolarHBondContact CG1-O 3.49Å; I144-F171 PolarHBondContact N-O 2.77Å; R169-F171 HydrophobicContact CG-CB 4.26Å; F171-E173 PolarHBondContact O-N 2.83Å; F171-T175 HydrophobicContact CD2-CG2 4.32Å; F171-T175 HydrophobicContact CE2-CG2 3.44Å; F171-T175 VanDerWaalsContact CE2-CG2 3.44Å; F171-T175 HydrophobicContact CZ-CG2 3.84Å; F171-A176 HydrophobicContact CD1-CB 3.56Å; F171-A176 VanDerWaalsContact CE1-CA 3.41Å; F171-A176 HydrophobicContact CE1-CB 3.74Å; F171-A176 HydrophobicContact CG-CB 4.36Å; F171-L179 HydrophobicContact CE1-CB 4.45Å; F171-L179 HydrophobicContact CE1-CD2 3.97Å; F171-L179 HydrophobicContact CZ-CB 4.36Å; F171-L179 HydrophobicContact CZ-CD2 4.1Å; F171-E376 HydrophobicContact CD1-CB 3.76Å; F171-E376 HydrophobicContact CD1-CG 3.91Å; F171-E376 HydrophobicContact CD2-CG 4.44Å; F171-E376 HydrophobicContact CE1-CB 3.53Å; F171-E376 HydrophobicContact CE1-CG 3.86Å; F171-E376 HydrophobicContact CE2-CG 4.4Å; F171-E376 HydrophobicContact CG-CG 4.21Å; F171-E376 HydrophobicContact CZ-CB 4.15Å; F171-E376 HydrophobicContact CZ-CG 4.12Å; F171-V391 HydrophobicContact CE2-CG1 4Å; F171-V391 HydrophobicContact CZ-CG1 3.91Å
172H98.1Very high97.5Very high1 Ų111 Ų111%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-66.5130.6-179.7-54.6131.2000109.8I144 V146 R153 T174 T175 A176 H223 D393 G394 L424I144-H172 CarbonylContact O-C 3.6Å; I144-H172 WeakPolarHBondContact O-CA 3.21Å; V146-H172 HydrophobicContact CB-CB 4.39Å; V146-H172 HydrophobicContact CG2-CB 4.47Å; R153-H172 PolarHBondContact NH2-CD2 2.89Å; H172-T174 PolarHBondContact O-N 2.91Å; H172-T174 VanDerWaalsContact O-N 3.13Å; H172-T175 PolarHBondContact CE1-OG1 2.93Å; H172-T175 CarbonylContact O-C 3.58Å; H172-T175 WeakPolarHBondContact O-CA 3.07Å; H172-T175 PolarHBondContact O-N 2.62Å; H172-A176 PolarHBondContact O-N 2.86Å; H172-H223 AromaticContact CE1-CE1 3.94Å; H172-H223 AromaticContact CE1-NE2 3.33Å; H172-H223 PolarHBondContact CE1-NE2 2.98Å; H172-H223 VanDerWaalsContact CE1-NE2 3.33Å; H172-H223 AromaticContact ND1-NE2 3.71Å; H172-D393 IonicContact CE1-OD1 2.71Å; H172-D393 PolarHBondContact CE1-OD1 2.85Å; H172-D393 IonicContact CE1-OD2 3.65Å; H172-D393 PolarHBondContact CE1-OD2 2.58Å; H172-D393 IonicContact ND1-OD1 3.43Å; H172-D393 PolarHBondContact ND1-OD1 3.06Å; H172-D393 VanDerWaalsContact ND1-OD1 3.12Å; H172-D393 IonicContact ND1-OD2 2.66Å; H172-D393 PolarHBondContact ND1-OD2 3.47Å; H172-D393 IonicContact NE2-OD1 3.85Å; H172-D393 IonicContact NE2-OD2 2.73Å; H172-D393 PolarHBondContact NE2-OD2 3.16Å; H172-G394 PolarHBondContact NE2-O 3.33Å; H172-L424 WeakPolarHBondContact NE2-CD1 3.42Å
173E97.9Very high97.1Very high9 Ų911.3 Ų11.34%0.0428%0.075CC..Hα-helixtrans-50.1-39.9-179.4-78.4148.2-161.500113K68 I144 P145 F171 T177 Q207 V369K68-E173 IonicContact NZ-OE1 2.95Å; K68-E173 PolarHBondContact NZ-OE1 3.48Å; K68-E173 IonicContact NZ-OE2 3.6Å; I144-E173 VanDerWaalsContact CA-OE1 3.22Å; I144-E173 WeakPolarHBondContact CA-OE1 3.4Å; I144-E173 WeakPolarHBondContact O-CG 3.41Å; I144-E173 PolarHBondContact O-N 3.05Å; P145-E173 WeakPolarHBondContact CA-OE2 3.3Å; P145-E173 WeakPolarHBondContact CD-OE1 3.5Å; P145-E173 VanDerWaalsContact N-CD 3.32Å; F171-E173 PolarHBondContact O-N 2.83Å; E173-T177 WeakPolarHBondContact O-CB 3.16Å; E173-T177 PolarHBondContact O-N 2.89Å; E173-T177 PolarHBondContact O-OG1 3.39Å; E173-Q207 PolarHBondContact OE2-NE2 2.96Å; E173-V369 HydrophobicContact CB-CG1 4.29Å; E173-V369 HydrophobicContact CB-CG2 4.08Å; E173-V369 HydrophobicContact CG-CG1 3.82Å; E173-V369 HydrophobicContact CG-CG2 4.26Å
174T97.1Very high96.8Very high1 Ų117 Ų171%0.00610%0.095CC..Hα-helixtrans-71.8-37.7175.449.60000113.7H172 T177 A178 Q207 C209 H223H172-T174 PolarHBondContact O-N 2.91Å; H172-T174 VanDerWaalsContact O-N 3.13Å; T174-T177 WeakPolarHBondContact O-CB 3.18Å; T174-T177 PolarHBondContact O-N 2.85Å; T174-A178 WeakPolarHBondContact O-CB 3.12Å; T174-A178 PolarHBondContact O-N 2.79Å; T174-Q207 HydrophobicContact CG2-CB 3.67Å; T174-C209 VanDerWaalsContact CB-CB 3.42Å; T174-C209 HydrophobicContact CG2-CB 3.85Å; T174-H223 PolarHBondContact OG1-CE1 2.78Å; T174-H223 PolarHBondContact OG1-ND1 2.88Å
175T98.1Very high96.5Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-71.3-34.8174.9-51.20000111.3F171 H172 A178 L179 L218 I220 H223 V391 D393F171-T175 HydrophobicContact CD2-CG2 4.32Å; F171-T175 HydrophobicContact CE2-CG2 3.44Å; F171-T175 VanDerWaalsContact CE2-CG2 3.44Å; F171-T175 HydrophobicContact CZ-CG2 3.84Å; H172-T175 PolarHBondContact CE1-OG1 2.93Å; H172-T175 CarbonylContact O-C 3.58Å; H172-T175 WeakPolarHBondContact O-CA 3.07Å; H172-T175 PolarHBondContact O-N 2.62Å; T175-A178 PolarHBondContact O-N 2.95Å; T175-L179 PolarHBondContact O-N 3.33Å; T175-L218 HydrophobicContact CG2-CD1 4.48Å; T175-I220 HydrophobicContact CG2-CD1 4.13Å; T175-I220 HydrophobicContact CG2-CG1 3.96Å; T175-H223 PolarHBondContact OG1-CE1 2.67Å; T175-V391 HydrophobicContact CG2-CG1 4Å; T175-D393 HydrophobicContact CG2-CB 3.97Å; T175-D393 PolarHBondContact OG1-OD1 3.37Å
176A98.2Very high96.2Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-62.7-47.1171.100000111.2F171 H172 A178 L179 A180 V369 G372F171-A176 HydrophobicContact CD1-CB 3.56Å; F171-A176 VanDerWaalsContact CE1-CA 3.41Å; F171-A176 HydrophobicContact CE1-CB 3.74Å; F171-A176 HydrophobicContact CG-CB 4.36Å; H172-A176 PolarHBondContact O-N 2.86Å; A176-A178 VanDerWaalsContact C-N 3.3Å; A176-A178 PolarHBondContact O-N 2.86Å; A176-L179 PolarHBondContact O-N 3.13Å; A176-A180 WeakPolarHBondContact O-CB 3.2Å; A176-A180 PolarHBondContact O-N 2.91Å; A176-V369 HydrophobicContact CB-CG1 4.48Å; A176-G372 VanDerWaalsContact O-CA 3.28Å; A176-G372 WeakPolarHBondContact O-CA 3.45Å
177T97.6Very high96Very high2 Ų224.9 Ų24.91%0.01213%0.127CC..Hα-helixtrans-57.5-42.6172.8-61.90000111.6E173 T174 A180 Y181 F198 V338 M363 C368E173-T177 WeakPolarHBondContact O-CB 3.16Å; E173-T177 PolarHBondContact O-N 2.89Å; E173-T177 PolarHBondContact O-OG1 3.39Å; T174-T177 WeakPolarHBondContact O-CB 3.18Å; T174-T177 PolarHBondContact O-N 2.85Å; T177-A180 PolarHBondContact O-N 3.42Å; T177-Y181 PolarHBondContact O-N 2.93Å; T177-F198 HydrophobicContact CG2-CD1 3.87Å; T177-F198 HydrophobicContact CG2-CE1 4.5Å; T177-F198 HydrophobicContact CG2-CG 4.44Å; T177-V338 HydrophobicContact CG2-CG1 4.08Å; T177-V338 HydrophobicContact CG2-CG2 4.15Å; T177-M363 HydrophobicContact CG2-CE 3.51Å; T177-M363 HydrophobicContact CG2-SD 4.02Å; T177-C368 HydrophobicContact CG2-CB 4.29Å
178A97.8Very high95.9Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-64.9-40.5175.900000112.8T174 T175 A176 Y181 G182 F198 A211 Y213 L218 I220T174-A178 WeakPolarHBondContact O-CB 3.12Å; T174-A178 PolarHBondContact O-N 2.79Å; T175-A178 PolarHBondContact O-N 2.95Å; A176-A178 VanDerWaalsContact C-N 3.3Å; A176-A178 PolarHBondContact O-N 2.86Å; A178-Y181 WeakPolarHBondContact O-CB 3.29Å; A178-Y181 PolarHBondContact O-N 2.92Å; A178-G182 PolarHBondContact O-N 3.43Å; A178-F198 HydrophobicContact CB-CD2 4.16Å; A178-F198 HydrophobicContact CB-CE2 3.94Å; A178-F198 HydrophobicContact CB-CZ 4.47Å; A178-A211 HydrophobicContact CB-CB 4.32Å; A178-Y213 WeakPolarHBondContact CA-OH 3.39Å; A178-Y213 VanDerWaalsContact CB-OH 3.3Å; A178-Y213 WeakPolarHBondContact CB-OH 3.44Å; A178-Y213 PolarHBondContact O-OH 2.87Å; A178-L218 HydrophobicContact CB-CD2 3.93Å; A178-I220 HydrophobicContact CB-CD1 4.26Å
179L97.6Very high95.8Very high0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-63.5-43.7173.7176.557.1000111.6F171 T175 A176 Y181 G182 I183 L218 L375 E376 I379 F389 V391F171-L179 HydrophobicContact CE1-CB 4.45Å; F171-L179 HydrophobicContact CE1-CD2 3.97Å; F171-L179 HydrophobicContact CZ-CB 4.36Å; F171-L179 HydrophobicContact CZ-CD2 4.1Å; T175-L179 PolarHBondContact O-N 3.33Å; A176-L179 PolarHBondContact O-N 3.13Å; L179-Y181 PolarHBondContact O-N 3.11Å; L179-G182 PolarHBondContact O-N 2.64Å; L179-I183 HydrophobicContact CD1-CB 4.25Å; L179-I183 HydrophobicContact CD1-CD1 4.45Å; L179-I183 PolarHBondContact O-N 2.98Å; L179-I183 VanDerWaalsContact O-N 3.11Å; L179-L218 HydrophobicContact CB-CD2 4.21Å; L179-L375 HydrophobicContact CD2-CB 3.7Å; L179-L375 HydrophobicContact CG-CB 4.01Å; L179-L375 HydrophobicContact CG-CD1 4.17Å; L179-E376 HydrophobicContact CD2-CB 4.04Å; L179-I379 HydrophobicContact CD1-CD1 4.21Å; L179-I379 HydrophobicContact CD2-CD1 3.96Å; L179-F389 HydrophobicContact CD1-CD1 3.84Å; L179-F389 HydrophobicContact CD1-CE1 4.24Å; L179-V391 HydrophobicContact CD1-CG2 3.83Å; L179-V391 HydrophobicContact CD2-CG2 4.23Å; L179-V391 HydrophobicContact CG-CG2 4.5Å
180A95.7Very high95.5Very high12 Ų1230 Ų3010%0.09915%0.153CC..Hα-helixtrans-63.2-28.517600000113.2A176 T177 Y184 L375A176-A180 WeakPolarHBondContact O-CB 3.2Å; A176-A180 PolarHBondContact O-N 2.91Å; T177-A180 PolarHBondContact O-N 3.42Å; A180-Y184 WeakPolarHBondContact O-CD2 3.48Å; A180-L375 HydrophobicContact CB-CD1 4.41Å
181Y95.5Very high95.1Very high11 Ų1136.2 Ų36.24%0.04319%0.186CC..Hα-helixtrans-74.4-52.9170-172.3-95.9000112.1T177 A178 L179 K185 V196 F198 Y213 E336 T362 M363T177-Y181 PolarHBondContact O-N 2.93Å; A178-Y181 WeakPolarHBondContact O-CB 3.29Å; A178-Y181 PolarHBondContact O-N 2.92Å; L179-Y181 PolarHBondContact O-N 3.11Å; Y181-K185 HydrophobicContact CD1-CG 4.41Å; Y181-K185 HydrophobicContact CE1-CG 4.22Å; Y181-K185 WeakPolarHBondContact O-CG 3.47Å; Y181-V196 HydrophobicContact CE1-CG2 4.13Å; Y181-F198 HydrophobicContact CD1-CE1 4.43Å; Y181-F198 AromaticContact CD1-CZ 3.87Å; Y181-F198 HydrophobicContact CD1-CZ 3.87Å; Y181-F198 AromaticContact CD2-CE1 3.98Å; Y181-F198 HydrophobicContact CD2-CE1 3.98Å; Y181-F198 HydrophobicContact CD2-CZ 4.24Å; Y181-F198 HydrophobicContact CE1-CZ 4.49Å; Y181-F198 AromaticContact CG-CE1 3.85Å; Y181-F198 HydrophobicContact CG-CE1 3.85Å; Y181-F198 AromaticContact CG-CZ 3.71Å; Y181-F198 HydrophobicContact CG-CZ 3.71Å; Y181-Y213 HydrophobicContact CD1-CE1 4.46Å; Y181-Y213 AromaticContact CD1-CE2 3.99Å; Y181-Y213 HydrophobicContact CD1-CE2 3.99Å; Y181-Y213 AromaticContact CD1-CZ 3.84Å; Y181-Y213 HydrophobicContact CE1-CE2 4.35Å; Y181-E336 HydrophobicContact CD2-CG 4.16Å; Y181-E336 HydrophobicContact CE2-CG 3.6Å; Y181-E336 WeakPolarHBondContact CE2-OE1 3.21Å; Y181-E336 PolarHBondContact OH-OE1 2.67Å; Y181-T362 WeakPolarHBondContact CE2-OG1 3.49Å; Y181-M363 HydrophobicContact CD2-CE 4.12Å; Y181-M363 HydrophobicContact CD2-CG 4.18Å; Y181-M363 HydrophobicContact CD2-SD 4.01Å; Y181-M363 HydrophobicContact CG-SD 4.4Å
182G95.1Very high94.9Very high0 Ų042.1 Ų42.10%022%0.218CC..Hα-helixtrans-71.6-38.5-166.600000115.2A178 L179 Y184 K185 F389A178-G182 PolarHBondContact O-N 3.43Å; L179-G182 PolarHBondContact O-N 2.64Å; G182-Y184 VanDerWaalsContact C-N 3.34Å; G182-Y184 PolarHBondContact O-N 2.88Å; G182-K185 WeakPolarHBondContact O-CB 3.32Å; G182-K185 PolarHBondContact O-N 2.9Å; G182-F389 WeakPolarHBondContact O-CE2 3.39Å
183I92.3Very high94.7Very high14 Ų1445.6 Ų45.67%0.07223%0.234CC..THydrogen-bonded Turntrans-71.3-28.6-169.4-158.7167.2000113.7L179 L375 R387 F389L179-I183 HydrophobicContact CD1-CB 4.25Å; L179-I183 HydrophobicContact CD1-CD1 4.45Å; L179-I183 PolarHBondContact O-N 2.98Å; L179-I183 VanDerWaalsContact O-N 3.11Å; I183-L375 HydrophobicContact CD1-CD2 4.32Å; I183-L375 HydrophobicContact CG2-CD1 3.65Å; I183-L375 HydrophobicContact CG2-CD2 4.08Å; I183-L375 HydrophobicContact CG2-CG 4.5Å; I183-R387 PolarHBondContact O-NH1 3.42Å; I183-F389 HydrophobicContact CB-CD2 4.24Å; I183-F389 HydrophobicContact CB-CG 4.35Å; I183-F389 HydrophobicContact CD1-CB 3.95Å; I183-F389 HydrophobicContact CD1-CG 4.43Å; I183-F389 HydrophobicContact CG1-CB 3.99Å; I183-F389 HydrophobicContact CG1-CD2 4.05Å; I183-F389 HydrophobicContact CG1-CG 4.07Å
184Y90.9Very high94.7Very high127 Ų12746 Ų4650%0.49824%0.236SC..THydrogen-bonded Turntrans-88.2-12.4177.8-59.9-64.7000113.2A180 G182 L375A180-Y184 WeakPolarHBondContact O-CD2 3.48Å; G182-Y184 VanDerWaalsContact C-N 3.34Å; G182-Y184 PolarHBondContact O-N 2.88Å; Y184-L375 HydrophobicContact CE2-CD1 4.14Å
185K91.9Very high94.8Very high52 Ų5246.6 Ų46.623%0.22624%0.239CC..  trans-67.7133.2174.6-84.6-77.5-175.1179.60110.9Y181 G182 D187 L188 R387Y181-K185 HydrophobicContact CD1-CG 4.41Å; Y181-K185 HydrophobicContact CE1-CG 4.22Å; Y181-K185 WeakPolarHBondContact O-CG 3.47Å; G182-K185 WeakPolarHBondContact O-CB 3.32Å; G182-K185 PolarHBondContact O-N 2.9Å; K185-D187 WeakPolarHBondContact CD-OD1 3.44Å; K185-D187 VanDerWaalsContact NZ-CG 3.27Å; K185-D187 IonicContact NZ-OD1 2.82Å; K185-D187 PolarHBondContact NZ-OD1 3.31Å; K185-D187 IonicContact NZ-OD2 3.42Å; K185-D187 PolarHBondContact NZ-OD2 2.73Å; K185-L188 HydrophobicContact CB-CD1 4.16Å; K185-L188 HydrophobicContact CB-CD2 3.66Å; K185-L188 HydrophobicContact CB-CG 3.67Å; K185-L188 HydrophobicContact CG-CD2 4.12Å; K185-R387 PolarHBondContact O-NH1 2.81Å
186T90.6Very high94.8Very high130 Ų13046.6 Ų46.680%0.79824%0.239SC*.SBendtrans-105.2-23.1177.951.40000111.9
187D92.8Very high94.8Very high94 Ų9446.6 Ų46.650%0.50324%0.239SC..  trans-93.820.2-176.555.3-54.8000114.3K185K185-D187 WeakPolarHBondContact CD-OD1 3.44Å; K185-D187 VanDerWaalsContact NZ-CG 3.27Å; K185-D187 IonicContact NZ-OD1 2.82Å; K185-D187 PolarHBondContact NZ-OD1 3.31Å; K185-D187 IonicContact NZ-OD2 3.42Å; K185-D187 PolarHBondContact NZ-OD2 2.73Å
188L94.9Very high94.9Very high16 Ų1646.5 Ų46.58%0.08424%0.239CC..  trans-72.4134177.6-61.9-175.2000111.6K185 L194 Y213 F389K185-L188 HydrophobicContact CB-CD1 4.16Å; K185-L188 HydrophobicContact CB-CD2 3.66Å; K185-L188 HydrophobicContact CB-CG 3.67Å; K185-L188 HydrophobicContact CG-CD2 4.12Å; L188-L194 HydrophobicContact CD2-CD2 4.17Å; L188-Y213 HydrophobicContact CD1-CD1 4.36Å; L188-Y213 HydrophobicContact CD2-CG 4.35Å; L188-F389 HydrophobicContact CD1-CE2 4.04Å; L188-F389 HydrophobicContact CD1-CZ 4.4Å
189P94.6Very high94.9Very high37 Ų3746.5 Ų46.524%0.2424%0.239CC..  trans-67.6150.1-178.928.6-36.2000112.6D192 L194 K214 K215P189-D192 HydrophobicContact CB-CB 4.4Å; P189-D192 VanDerWaalsContact CG-O 3.31Å; P189-D192 WeakPolarHBondContact CG-O 3.46Å; P189-L194 HydrophobicContact CG-CB 3.96Å; P189-K214 CarbonylContact O-C 3.58Å; P189-K214 VanDerWaalsContact O-CA 3.23Å; P189-K214 WeakPolarHBondContact O-CA 3.42Å; P189-K215 PolarHBondContact O-N 2.95Å
190E92.7Very high94.9Very high122 Ų12247.3 Ų47.357%0.5724%0.243SC*.SBendtrans-82.2-50.4177.5-62-169.2151.800112.2K215E190-K215 HydrophobicContact CG-CB 4.12Å; E190-K215 HydrophobicContact CG-CD 3.61Å; E190-K215 WeakPolarHBondContact OE1-CD 3.18Å; E190-K215 WeakPolarHBondContact OE1-CE 3.45Å; E190-K215 IonicContact OE1-NZ 3.86Å; E190-K215 PolarHBondContact OE1-NZ 3Å
191N90.8Very high95Very high132 Ų13246.7 Ų46.771%0.70624%0.238SC*.SBendtrans-97.1-49-172.8-65.2-41.8000112.7K214N191-K214 WeakPolarHBondContact O-CE 3.41Å; N191-K214 PolarHBondContact O-NZ 2.87Å
192D93.1Very high95Very high125 Ų12546.9 Ų46.967%0.66824%0.243SC*.SBendtrans-75.8161.6-179.1-56.4-60.1000112.1P189P189-D192 HydrophobicContact CB-CB 4.4Å; P189-D192 VanDerWaalsContact CG-O 3.31Å; P189-D192 WeakPolarHBondContact CG-O 3.46Å
193Q94.8Very high95.1Very high73 Ų7348.2 Ų48.234%0.34125%0.249SC..  trans-106.8111.7-179.7-170.6177.1-82.500111.2N195 H333Q193-N195 PolarHBondContact NE2-OD1 3.26Å; Q193-N195 PolarHBondContact O-N 2.96Å; Q193-H333 PolarHBondContact O-CE1 3.03Å
194L97.8Very high95.3Very high19 Ų1947.6 Ų47.610%0.09925%0.247CC..EExtended strand (participates in β ladder)trans-77.9100.5173.4-17974.2000109.3L188 P189 V196 Y213 H333 F334L188-L194 HydrophobicContact CD2-CD2 4.17Å; P189-L194 HydrophobicContact CG-CB 3.96Å; L194-V196 HydrophobicContact CD2-CG2 4.32Å; L194-V196 HydrophobicContact CG-CG2 4.2Å; L194-Y213 PolarHBondContact N-O 2.94Å; L194-Y213 PolarHBondContact O-N 2.9Å; L194-H333 HydrophobicContact CD1-CB 3.62Å; L194-F334 HydrophobicContact CD1-CD2 4.24Å; L194-F334 HydrophobicContact CD1-CE2 3.84Å; L194-F334 HydrophobicContact CD1-CZ 4.44Å; L194-F334 HydrophobicContact CD2-CD2 4.42Å; L194-F334 HydrophobicContact CD2-CE2 4.16Å
195N98.2Very high95.6Very high12 Ų1242.1 Ų42.16%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-79.7124.2174.9-56.3-40.4000110.6Q193 A211 L327 N331 H333Q193-N195 PolarHBondContact NE2-OD1 3.26Å; Q193-N195 PolarHBondContact O-N 2.96Å; N195-A211 CarbonylContact C-O 3.58Å; N195-A211 WeakPolarHBondContact CA-O 3.12Å; N195-L327 HydrophobicContact CB-CD1 4.3Å; N195-N331 WeakPolarHBondContact CB-O 3.33Å; N195-N331 PolarHBondContact ND2-O 3.42Å; N195-H333 PolarHBondContact N-ND1 3.27Å; N195-H333 WeakPolarHBondContact O-CB 3.41Å; N195-H333 PolarHBondContact O-N 2.91Å; N195-H333 PolarHBondContact O-ND1 3.43Å
196V98.3Very high95.9Very high0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-122.6132.8173.4-176.60000109.4Y181 L194 F198 I210 A211 Y213 F334 E336Y181-V196 HydrophobicContact CE1-CG2 4.13Å; L194-V196 HydrophobicContact CD2-CG2 4.32Å; L194-V196 HydrophobicContact CG-CG2 4.2Å; V196-F198 HydrophobicContact CB-CE2 3.87Å; V196-F198 HydrophobicContact CB-CZ 4.01Å; V196-F198 HydrophobicContact CG1-CD2 4.36Å; V196-F198 HydrophobicContact CG1-CE1 4Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 3.53Å; V196-I210 WeakPolarHBondContact O-CA 3.26Å; V196-A211 PolarHBondContact N-O 3.25Å; V196-A211 PolarHBondContact O-N 3.34Å; V196-Y213 HydrophobicContact CB-CD2 4.43Å; V196-Y213 HydrophobicContact CB-CE2 3.97Å; V196-Y213 HydrophobicContact CG2-CD2 3.95Å; V196-Y213 HydrophobicContact CG2-CE2 3.88Å; V196-F334 WeakPolarHBondContact CA-O 3.39Å; V196-F334 HydrophobicContact CG1-CB 4.27Å; V196-F334 HydrophobicContact CG2-CB 4.36Å; V196-F334 HydrophobicContact CG2-CD2 4.29Å; V196-E336 HydrophobicContact CG1-CG 3.93Å
197A98.6Very high96.3Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-93.7120.2170.500000109.9I210 V332 F334 V335 E336 F355A197-I210 HydrophobicContact CB-CG1 4.31Å; A197-V332 HydrophobicContact CB-CG1 3.72Å; A197-F334 PolarHBondContact N-O 2.9Å; A197-V335 CarbonylContact O-C 3.57Å; A197-V335 WeakPolarHBondContact O-CA 3.32Å; A197-E336 PolarHBondContact O-N 2.76Å; A197-F355 HydrophobicContact CB-CE1 4.32Å; A197-F355 HydrophobicContact CB-CZ 4.03Å
198F98.4Very high96.5Very high1 Ų129 Ų290%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-94.8124170.7-62.9-81000108.9T177 A178 Y181 V196 V208 C209 A211 Y213 E336 M363T177-F198 HydrophobicContact CG2-CD1 3.87Å; T177-F198 HydrophobicContact CG2-CE1 4.5Å; T177-F198 HydrophobicContact CG2-CG 4.44Å; A178-F198 HydrophobicContact CB-CD2 4.16Å; A178-F198 HydrophobicContact CB-CE2 3.94Å; A178-F198 HydrophobicContact CB-CZ 4.47Å; Y181-F198 HydrophobicContact CD1-CE1 4.43Å; Y181-F198 AromaticContact CD1-CZ 3.87Å; Y181-F198 HydrophobicContact CD1-CZ 3.87Å; Y181-F198 AromaticContact CD2-CE1 3.98Å; Y181-F198 HydrophobicContact CD2-CE1 3.98Å; Y181-F198 HydrophobicContact CD2-CZ 4.24Å; Y181-F198 HydrophobicContact CE1-CZ 4.49Å; Y181-F198 AromaticContact CG-CE1 3.85Å; Y181-F198 HydrophobicContact CG-CE1 3.85Å; Y181-F198 AromaticContact CG-CZ 3.71Å; Y181-F198 HydrophobicContact CG-CZ 3.71Å; V196-F198 HydrophobicContact CB-CE2 3.87Å; V196-F198 HydrophobicContact CB-CZ 4.01Å; V196-F198 HydrophobicContact CG1-CD2 4.36Å; V196-F198 HydrophobicContact CG1-CE1 4Å; V196-F198 HydrophobicContact CG1-CE2 3.73Å; V196-F198 HydrophobicContact CG1-CZ 3.53Å; F198-V208 WeakPolarHBondContact O-CA 3.23Å; F198-C209 PolarHBondContact N-O 2.97Å; F198-C209 PolarHBondContact O-N 2.89Å; F198-A211 HydrophobicContact CD2-CB 4.43Å; F198-A211 HydrophobicContact CE2-CB 4.05Å; F198-Y213 AromaticContact CE2-CE2 3.89Å; F198-Y213 HydrophobicContact CE2-CE2 3.89Å; F198-Y213 AromaticContact CE2-CZ 3.98Å; F198-Y213 WeakPolarHBondContact CE2-OH 3.43Å; F198-Y213 HydrophobicContact CZ-CE2 4.01Å; F198-Y213 AromaticContact CZ-CZ 3.99Å; F198-Y213 WeakPolarHBondContact CZ-OH 3.45Å; F198-E336 WeakPolarHBondContact CA-O 3.42Å; F198-E336 HydrophobicContact CD1-CB 3.87Å; F198-E336 HydrophobicContact CE1-CB 3.87Å; F198-E336 HydrophobicContact CE1-CG 4.09Å; F198-M363 HydrophobicContact CD1-CE 3.73Å; F198-M363 HydrophobicContact CE1-CE 3.56Å
199V98.3Very high96.6Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-117.3103.7177.1-178.40000108.4V201 M206 V208 L318 V335 E336 V337 V338 L351V199-V201 HydrophobicContact CG1-CG2 4.22Å; V199-M206 HydrophobicContact CG1-CE 3.85Å; V199-V208 HydrophobicContact CG2-CG1 4.43Å; V199-L318 HydrophobicContact CG2-CD2 3.89Å; V199-V335 HydrophobicContact CG2-CG1 4.16Å; V199-E336 PolarHBondContact N-O 3.32Å; V199-V337 HydrophobicContact CB-CG1 4.31Å; V199-V337 HydrophobicContact CG1-CG1 4.46Å; V199-V337 WeakPolarHBondContact O-CA 3.31Å; V199-V337 WeakPolarHBondContact O-CG1 3.48Å; V199-V338 PolarHBondContact O-N 2.67Å; V199-L351 HydrophobicContact CB-CD1 4.49Å; V199-L351 HydrophobicContact CG1-CD1 4.15Å; V199-L351 HydrophobicContact CG1-CD2 4.16Å; V199-L351 HydrophobicContact CG2-CD2 4.03Å
200D98.1Very high96.8Very high16 Ų1626.5 Ų26.59%0.08614%0.139CC..EExtended strand (participates in β ladder)trans-90.8127.6170.9168.439.2000109.2G202 M206 Q207 V338 G339D200-G202 PolarHBondContact OD1-N 3Å; D200-M206 CarbonylContact O-C 3.53Å; D200-M206 VanDerWaalsContact O-CA 3.29Å; D200-M206 WeakPolarHBondContact O-CA 3.44Å; D200-Q207 HydrophobicContact CB-CB 4.25Å; D200-Q207 PolarHBondContact N-O 3.17Å; D200-Q207 PolarHBondContact O-N 3.35Å; D200-Q207 PolarHBondContact OD2-NE2 2.86Å; D200-V338 HydrophobicContact CB-CG2 3.69Å; D200-G339 WeakPolarHBondContact OD1-CA 3.26Å
201V97.5Very high97.1Very high0 Ų020.7 Ų20.70%011%0.112CC..EExtended strand (participates in β ladder)trans-125.988.3166.1-174.10000107.7V199 M206 V338 G339 S340 G341 S342 I347V199-V201 HydrophobicContact CG1-CG2 4.22Å; V201-M206 HydrophobicContact CG2-CB 4.41Å; V201-M206 HydrophobicContact CG2-CG 4.06Å; V201-M206 HydrophobicContact CG2-SD 4.42Å; V201-V338 PolarHBondContact N-O 3.36Å; V201-V338 VanDerWaalsContact N-O 3.07Å; V201-G339 CarbonylContact O-C 3.58Å; V201-G339 WeakPolarHBondContact O-CA 3.46Å; V201-S340 PolarHBondContact O-N 2.99Å; V201-G341 VanDerWaalsContact O-CA 3.32Å; V201-G341 WeakPolarHBondContact O-CA 3.38Å; V201-G341 PolarHBondContact O-N 3Å; V201-S342 PolarHBondContact O-N 3.22Å; V201-I347 HydrophobicContact CG1-CD1 4.11Å; V201-I347 HydrophobicContact CG2-CG2 4.38Å
202G96.3Very high97.5Very high14 Ų1414.6 Ų14.614%0.1448%0.08CC..  trans-78.3-160.1-179.700000113.3D200 A204 S205 G230 G231D200-G202 PolarHBondContact OD1-N 3Å; G202-A204 PolarHBondContact O-N 3.37Å; G202-S205 PolarHBondContact N-O 2.94Å; G202-S205 VanDerWaalsContact N-O 3.08Å; G202-G230 CarbonylContact O-C 3.58Å; G202-G230 VanDerWaalsContact O-CA 3.26Å; G202-G230 WeakPolarHBondContact O-CA 3.25Å; G202-G231 PolarHBondContact O-N 2.91Å
203H97Very high97.7Very high28 Ų288.6 Ų8.613%0.135%0.048CC..SBendtrans-65.4-34.5179.2175.6-130.7000113.4N10 E11 G230 G231 R232N10-H203 HydrophobicContact CB-CB 4.34Å; N10-H203 PolarHBondContact ND2-ND1 3.07Å; N10-H203 VanDerWaalsContact ND2-ND1 3.13Å; N10-H203 PolarHBondContact O-ND1 3.47Å; N10-H203 VanDerWaalsContact O-ND1 3.1Å; E11-H203 HydrophobicContact CB-CB 3.68Å; E11-H203 IonicContact OE1-CD2 3.43Å; E11-H203 IonicContact OE2-CD2 3.93Å; E11-H203 IonicContact OE2-CG 3.16Å; H203-G230 CarbonylContact O-C 3.54Å; H203-G231 PolarHBondContact O-N 2.81Å; H203-G231 VanDerWaalsContact O-N 3.09Å; H203-R232 WeakPolarHBondContact NE2-CB 3.26Å; H203-R232 VanDerWaalsContact O-CB 3.25Å; H203-R232 WeakPolarHBondContact O-CB 3.36Å; H203-R232 VanDerWaalsContact O-CG 3.27Å; H203-R232 WeakPolarHBondContact O-CG 3.28Å; H203-R232 PolarHBondContact O-N 3.28Å
204A96.4Very high97.8Very high2 Ų28.1 Ų8.12%0.0175%0.045CC..SBendtrans-129.9-8.5-170.200000116.4N10 G202 R227 S228 L229N10-A204 HydrophobicContact CB-CB 4.09Å; N10-A204 WeakPolarHBondContact ND2-CB 3.41Å; G202-A204 PolarHBondContact O-N 3.37Å; A204-R227 VanDerWaalsContact O-O 3.11Å; A204-S228 WeakPolarHBondContact O-CA 3.4Å; A204-L229 PolarHBondContact O-N 3.47Å
205S96.8Very high97.7Very high11 Ų1113.2 Ų13.28%0.0777%0.066CC..  trans-154.1155.1-170.246.10000111.3Y147 G202 D226 L229Y147-S205 WeakPolarHBondContact OH-CB 3.49Å; Y147-S205 PolarHBondContact OH-OG 2.89Å; G202-S205 PolarHBondContact N-O 2.94Å; G202-S205 VanDerWaalsContact N-O 3.08Å; S205-D226 WeakPolarHBondContact CA-O 3.45Å; S205-D226 WeakPolarHBondContact CB-O 3.3Å; S205-L229 CarbonylContact C-O 3.53Å; S205-L229 WeakPolarHBondContact CA-O 3.47Å
206M98Very high97.5Very high0 Ų013.8 Ų13.80%07%0.074CC..EExtended strand (participates in β ladder)trans-111.4133174.4173.4175.3179.500108.2V199 D200 V201 V208 Y225 D226 L229 V314 P317 L318V199-M206 HydrophobicContact CG1-CE 3.85Å; D200-M206 CarbonylContact O-C 3.53Å; D200-M206 VanDerWaalsContact O-CA 3.29Å; D200-M206 WeakPolarHBondContact O-CA 3.44Å; V201-M206 HydrophobicContact CG2-CB 4.41Å; V201-M206 HydrophobicContact CG2-CG 4.06Å; V201-M206 HydrophobicContact CG2-SD 4.42Å; M206-V208 HydrophobicContact CE-CG2 3.77Å; M206-V208 HydrophobicContact CG-CG2 4.48Å; M206-Y225 CarbonylContact O-C 3.56Å; M206-Y225 WeakPolarHBondContact O-CA 3.13Å; M206-Y225 WeakPolarHBondContact O-CB 3.12Å; M206-D226 PolarHBondContact N-O 3.3Å; M206-D226 PolarHBondContact O-N 3.02Å; M206-L229 HydrophobicContact CB-CB 4.18Å; M206-L229 HydrophobicContact CB-CD2 4.37Å; M206-L229 WeakPolarHBondContact CB-O 3.49Å; M206-L229 PolarHBondContact N-O 2.96Å; M206-L229 HydrophobicContact SD-CD1 4.06Å; M206-L229 HydrophobicContact SD-CD2 4.47Å; M206-V314 HydrophobicContact CE-CG1 3.91Å; M206-V314 WeakPolarHBondContact CE-O 3.37Å; M206-V314 HydrophobicContact SD-CB 4.48Å; M206-V314 HydrophobicContact SD-CG1 4.14Å; M206-P317 HydrophobicContact CE-CB 4.35Å; M206-P317 HydrophobicContact SD-CG 4.26Å; M206-L318 HydrophobicContact CE-CD1 4.49Å; M206-L318 HydrophobicContact CE-CD2 3.85Å; M206-L318 HydrophobicContact CE-CG 3.99Å
207Q98.2Very high97.4Very high0 Ų017 Ų170%09%0.09CC..EExtended strand (participates in β ladder)trans-129.4135.8178.5-54.8-178.399.300109.4Y147 E173 T174 D200Y147-Q207 HydrophobicContact CE1-CG 4.31Å; E173-Q207 PolarHBondContact OE2-NE2 2.96Å; T174-Q207 HydrophobicContact CG2-CB 3.67Å; D200-Q207 HydrophobicContact CB-CB 4.25Å; D200-Q207 PolarHBondContact N-O 3.17Å; D200-Q207 PolarHBondContact O-N 3.35Å; D200-Q207 PolarHBondContact OD2-NE2 2.86Å
208V98.1Very high97.3Very high1 Ų117 Ų171%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-126.5126.2-178.7-172.80000108.3F198 V199 M206 A224 P317 L318 A321F198-V208 WeakPolarHBondContact O-CA 3.23Å; V199-V208 HydrophobicContact CG2-CG1 4.43Å; M206-V208 HydrophobicContact CE-CG2 3.77Å; M206-V208 HydrophobicContact CG-CG2 4.48Å; V208-A224 PolarHBondContact N-O 3.34Å; V208-A224 PolarHBondContact O-N 2.77Å; V208-P317 HydrophobicContact CG2-CB 3.67Å; V208-L318 HydrophobicContact CG1-CD2 4.02Å; V208-L318 HydrophobicContact CG2-CD2 3.77Å; V208-A321 HydrophobicContact CB-CB 3.99Å; V208-A321 HydrophobicContact CG1-CB 3.43Å; V208-A321 VanDerWaalsContact CG1-CB 3.43Å
209C97.9Very high97.3Very high0 Ų022.1 Ų22.10%011%0.112CC..EExtended strand (participates in β ladder)trans-135.6132.3179.9-177.90000109.5T174 F198 I220 S222 H223T174-C209 VanDerWaalsContact CB-CB 3.42Å; T174-C209 HydrophobicContact CG2-CB 3.85Å; F198-C209 PolarHBondContact N-O 2.97Å; F198-C209 PolarHBondContact O-N 2.89Å; C209-I220 VanDerWaalsContact SG-CG2 3.51Å; C209-S222 WeakPolarHBondContact CA-O 3.46Å; C209-H223 PolarHBondContact SG-CE1 2.9Å; C209-H223 PolarHBondContact SG-ND1 2.82Å; C209-H223 VanDerWaalsContact SG-ND1 3.42Å
210I98.5Very high97.3Very high1 Ų122.7 Ų22.71%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-108.3119.8174.3-51.6-177000108V196 A197 L221 S222 A321 L322 A325 L327 V332V196-I210 WeakPolarHBondContact O-CA 3.26Å; A197-I210 HydrophobicContact CB-CG1 4.31Å; I210-L221 HydrophobicContact CG2-CD1 4.17Å; I210-L221 WeakPolarHBondContact O-CB 3.45Å; I210-L221 PolarHBondContact O-N 2.92Å; I210-S222 PolarHBondContact N-O 3.16Å; I210-S222 PolarHBondContact O-N 2.91Å; I210-A321 HydrophobicContact CD1-CB 4.15Å; I210-A321 HydrophobicContact CG1-CB 4.24Å; I210-L322 HydrophobicContact CD1-CD2 3.81Å; I210-L322 HydrophobicContact CD1-CG 4.25Å; I210-A325 HydrophobicContact CB-CB 4.43Å; I210-A325 HydrophobicContact CD1-CB 4.06Å; I210-L327 HydrophobicContact CG2-CD1 4.09Å; I210-V332 HydrophobicContact CD1-CG2 4.39Å
211A98.4Very high97.2Very high0 Ų023.9 Ų23.90%012%0.121CC..EExtended strand (participates in β ladder)trans-112.7133.6177.800000110.4A178 N195 V196 F198 Y213 K219 I220A178-A211 HydrophobicContact CB-CB 4.32Å; N195-A211 CarbonylContact C-O 3.58Å; N195-A211 WeakPolarHBondContact CA-O 3.12Å; V196-A211 PolarHBondContact N-O 3.25Å; V196-A211 PolarHBondContact O-N 3.34Å; F198-A211 HydrophobicContact CD2-CB 4.43Å; F198-A211 HydrophobicContact CE2-CB 4.05Å; A211-Y213 HydrophobicContact CB-CE2 3.95Å; A211-K219 CarbonylContact C-O 3.14Å; A211-K219 WeakPolarHBondContact CA-O 3.44Å; A211-I220 HydrophobicContact CB-CD1 3.75Å
212G98.1Very high97.2Very high3 Ų324.1 Ų24.13%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-93.5124.3166.900000110.2K219G212-K219 PolarHBondContact N-O 3.26Å; G212-K219 PolarHBondContact O-N 3.18Å
213Y98.3Very high97.2Very high0 Ų023.8 Ų23.80%012%0.117CC..EExtended strand (participates in β ladder)trans-103.7146.9176.1-64.9-86000112.3A178 Y181 L188 L194 V196 F198 A211 L218 F389A178-Y213 WeakPolarHBondContact CA-OH 3.39Å; A178-Y213 VanDerWaalsContact CB-OH 3.3Å; A178-Y213 WeakPolarHBondContact CB-OH 3.44Å; A178-Y213 PolarHBondContact O-OH 2.87Å; Y181-Y213 HydrophobicContact CD1-CE1 4.46Å; Y181-Y213 AromaticContact CD1-CE2 3.99Å; Y181-Y213 HydrophobicContact CD1-CE2 3.99Å; Y181-Y213 AromaticContact CD1-CZ 3.84Å; Y181-Y213 HydrophobicContact CE1-CE2 4.35Å; L188-Y213 HydrophobicContact CD1-CD1 4.36Å; L188-Y213 HydrophobicContact CD2-CG 4.35Å; L194-Y213 PolarHBondContact N-O 2.94Å; L194-Y213 PolarHBondContact O-N 2.9Å; V196-Y213 HydrophobicContact CB-CD2 4.43Å; V196-Y213 HydrophobicContact CB-CE2 3.97Å; V196-Y213 HydrophobicContact CG2-CD2 3.95Å; V196-Y213 HydrophobicContact CG2-CE2 3.88Å; F198-Y213 AromaticContact CE2-CE2 3.89Å; F198-Y213 HydrophobicContact CE2-CE2 3.89Å; F198-Y213 AromaticContact CE2-CZ 3.98Å; F198-Y213 WeakPolarHBondContact CE2-OH 3.43Å; F198-Y213 HydrophobicContact CZ-CE2 4.01Å; F198-Y213 AromaticContact CZ-CZ 3.99Å; F198-Y213 WeakPolarHBondContact CZ-OH 3.45Å; A211-Y213 HydrophobicContact CB-CE2 3.95Å; Y213-L218 HydrophobicContact CD1-CB 3.62Å; Y213-L218 HydrophobicContact CE1-CB 3.49Å; Y213-L218 VanDerWaalsContact CE1-CB 3.49Å; Y213-L218 HydrophobicContact CE1-CD2 4.01Å; Y213-L218 HydrophobicContact CE1-CG 4.42Å; Y213-F389 HydrophobicContact CD1-CZ 4.31Å
214K96.8Very high97.1Very high63 Ų6322.4 Ų22.427%0.27411%0.111SC..EExtended strand (participates in β ladder)trans-137169.8159.5-56.2-164179.8-168.50109.2P189 N191 G216 Q217P189-K214 CarbonylContact O-C 3.58Å; P189-K214 VanDerWaalsContact O-CA 3.23Å; P189-K214 WeakPolarHBondContact O-CA 3.42Å; N191-K214 WeakPolarHBondContact O-CE 3.41Å; N191-K214 PolarHBondContact O-NZ 2.87Å; K214-G216 PolarHBondContact O-N 3.4Å; K214-G216 VanDerWaalsContact O-N 3.07Å; K214-Q217 HydrophobicContact CB-CG 3.89Å; K214-Q217 PolarHBondContact N-O 3.37Å; K214-Q217 PolarHBondContact O-N 3.27Å
215K94.7Very high97.1Very high125 Ų12524 Ų2454%0.54312%0.117SC..THydrogen-bonded Turntrans-52.8116.6176.7-173.5177.3176.7178.20110.5P189 E190P189-K215 PolarHBondContact O-N 2.95Å; E190-K215 HydrophobicContact CG-CB 4.12Å; E190-K215 HydrophobicContact CG-CD 3.61Å; E190-K215 WeakPolarHBondContact OE1-CD 3.18Å; E190-K215 WeakPolarHBondContact OE1-CE 3.45Å; E190-K215 IonicContact OE1-NZ 3.86Å; E190-K215 PolarHBondContact OE1-NZ 3Å
216G94.1Very high97.1Very high24 Ų2425 Ų2525%0.24712%0.122CC..THydrogen-bonded Turntrans76.911.5179.600000116.2K214 F389 Q390K214-G216 PolarHBondContact O-N 3.4Å; K214-G216 VanDerWaalsContact O-N 3.07Å; G216-F389 CarbonylContact O-C 3.53Å; G216-F389 WeakPolarHBondContact O-CA 3.41Å; G216-Q390 PolarHBondContact O-N 2.94Å
217Q96.3Very high96.8Very high68 Ų6826 Ų2632%0.31813%0.125SC..EExtended strand (participates in β ladder)trans-153151.1175.362.6177.8-54.600114.4K214 Q390K214-Q217 HydrophobicContact CB-CG 3.89Å; K214-Q217 PolarHBondContact N-O 3.37Å; K214-Q217 PolarHBondContact O-N 3.27Å; Q217-Q390 WeakPolarHBondContact CA-O 3.27Å; Q217-Q390 HydrophobicContact CB-CB 3.92Å
218L97.6Very high96.6Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-118.2149.7159.474.479.8000110.4T175 A178 L179 Y213 I220 F389 Q390 V391 N392T175-L218 HydrophobicContact CG2-CD1 4.48Å; A178-L218 HydrophobicContact CB-CD2 3.93Å; L179-L218 HydrophobicContact CB-CD2 4.21Å; Y213-L218 HydrophobicContact CD1-CB 3.62Å; Y213-L218 HydrophobicContact CE1-CB 3.49Å; Y213-L218 VanDerWaalsContact CE1-CB 3.49Å; Y213-L218 HydrophobicContact CE1-CD2 4.01Å; Y213-L218 HydrophobicContact CE1-CG 4.42Å; L218-I220 HydrophobicContact CD1-CD1 3.78Å; L218-I220 HydrophobicContact CD1-CG1 4.22Å; L218-F389 HydrophobicContact CB-CE1 3.93Å; L218-F389 HydrophobicContact CB-CZ 4.28Å; L218-F389 HydrophobicContact CD2-CE1 3.95Å; L218-F389 HydrophobicContact CG-CE1 3.93Å; L218-Q390 PolarHBondContact N-O 3.23Å; L218-V391 HydrophobicContact CD1-CG1 4.07Å; L218-V391 HydrophobicContact CG-CG1 4.44Å; L218-N392 WeakPolarHBondContact O-CB 3.39Å; L218-N392 PolarHBondContact O-N 3.13Å
219K97.5Very high96.5Very high108 Ų10826.4 Ų26.447%0.4713%0.128SC..EExtended strand (participates in β ladder)trans-130.8128.1167.2-179.8-174.6172.8-170.40109.5A211 G212 L221 N392A211-K219 CarbonylContact C-O 3.14Å; A211-K219 WeakPolarHBondContact CA-O 3.44Å; G212-K219 PolarHBondContact N-O 3.26Å; G212-K219 PolarHBondContact O-N 3.18Å; K219-L221 HydrophobicContact CD-CD2 4.26Å; K219-L221 HydrophobicContact CG-CD2 4.35Å; K219-N392 WeakPolarHBondContact CA-O 3.49Å; K219-N392 HydrophobicContact CB-CB 4.03Å; K219-N392 HydrophobicContact CG-CB 4.04Å
220I98.1Very high96.4Very high12 Ų1226.4 Ų26.46%0.06213%0.128CC..EExtended strand (participates in β ladder)trans-76.4131.5170.5-52.5-50.3000109.5T175 A178 C209 A211 L218 S222 N392T175-I220 HydrophobicContact CG2-CD1 4.13Å; T175-I220 HydrophobicContact CG2-CG1 3.96Å; A178-I220 HydrophobicContact CB-CD1 4.26Å; C209-I220 VanDerWaalsContact SG-CG2 3.51Å; A211-I220 HydrophobicContact CB-CD1 3.75Å; L218-I220 HydrophobicContact CD1-CD1 3.78Å; L218-I220 HydrophobicContact CD1-CG1 4.22Å; I220-S222 WeakPolarHBondContact CG2-O 3.33Å; I220-N392 PolarHBondContact N-O 3.39Å
221L97.7Very high96.3Very high41 Ų4126.4 Ų26.422%0.21513%0.128CC..EExtended strand (participates in β ladder)trans-98.4-41.3179.6-50-179000110.8I210 K219 A325 L327I210-L221 HydrophobicContact CG2-CD1 4.17Å; I210-L221 WeakPolarHBondContact O-CB 3.45Å; I210-L221 PolarHBondContact O-N 2.92Å; K219-L221 HydrophobicContact CD-CD2 4.26Å; K219-L221 HydrophobicContact CG-CD2 4.35Å; L221-A325 HydrophobicContact CB-CB 3.95Å; L221-L327 HydrophobicContact CD1-CD1 3.92Å
222S97.2Very high96.2Very high6 Ų627.8 Ų27.84%0.04213%0.134CC..EExtended strand (participates in β ladder)trans-151.6161.6179.665.90000113.4C209 I210 I220 A321C209-S222 WeakPolarHBondContact CA-O 3.46Å; I210-S222 PolarHBondContact N-O 3.16Å; I210-S222 PolarHBondContact O-N 2.91Å; I220-S222 WeakPolarHBondContact CG2-O 3.33Å; S222-A321 VanDerWaalsContact CB-O 3.25Å; S222-A321 WeakPolarHBondContact CB-O 3.49Å; S222-A321 PolarHBondContact OG-O 2.83Å
223H95.2Very high96.1Very high6 Ų629 Ų293%0.02814%0.139CC..EExtended strand (participates in β ladder)trans-144.8114.4179.7-79.2-58.8000109.6V146 H172 T174 T175 C209 D393 G394 P396 K420V146-H223 HydrophobicContact CG1-CB 4.47Å; V146-H223 HydrophobicContact CG2-CB 3.75Å; H172-H223 AromaticContact CE1-CE1 3.94Å; H172-H223 AromaticContact CE1-NE2 3.33Å; H172-H223 PolarHBondContact CE1-NE2 2.98Å; H172-H223 VanDerWaalsContact CE1-NE2 3.33Å; H172-H223 AromaticContact ND1-NE2 3.71Å; T174-H223 PolarHBondContact OG1-CE1 2.78Å; T174-H223 PolarHBondContact OG1-ND1 2.88Å; T175-H223 PolarHBondContact OG1-CE1 2.67Å; C209-H223 PolarHBondContact SG-CE1 2.9Å; C209-H223 PolarHBondContact SG-ND1 2.82Å; C209-H223 VanDerWaalsContact SG-ND1 3.42Å; H223-D393 IonicContact NE2-OD1 3.06Å; H223-D393 PolarHBondContact NE2-OD1 2.85Å; H223-G394 PolarHBondContact CD2-O 2.91Å; H223-P396 HydrophobicContact CB-CB 4.28Å; H223-K420 PolarHBondContact O-NZ 2.93Å; H223-K420 VanDerWaalsContact O-NZ 3.16Å
224A96Very high96.1Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-133.1164.3176.900000111.3V208 P317 K320 A321V208-A224 PolarHBondContact N-O 3.34Å; V208-A224 PolarHBondContact O-N 2.77Å; A224-P317 VanDerWaalsContact CB-O 3.26Å; A224-P317 WeakPolarHBondContact CB-O 3.39Å; A224-K320 HydrophobicContact CB-CB 3.96Å; A224-K320 HydrophobicContact CB-CD 4.2Å; A224-K320 HydrophobicContact CB-CG 3.92Å; A224-A321 HydrophobicContact CB-CB 3.98Å
225Y96.4Very high96.1Very high34 Ų3426.5 Ų26.513%0.13313%0.129CC..EExtended strand (participates in β ladder)trans-164159.3-170.352.8-94.3000113V146 Y147 M206 R227V146-Y225 HydrophobicContact CG1-CD1 4.02Å; Y147-Y225 HydrophobicContact CD1-CD1 4.46Å; Y147-Y225 HydrophobicContact CD1-CD2 4Å; Y147-Y225 AromaticContact CD1-CG 3.87Å; Y147-Y225 HydrophobicContact CD1-CG 3.87Å; Y147-Y225 HydrophobicContact CG-CD2 4.09Å; Y147-Y225 HydrophobicContact CG-CE2 4.33Å; Y147-Y225 HydrophobicContact CG-CG 4.23Å; M206-Y225 CarbonylContact O-C 3.56Å; M206-Y225 WeakPolarHBondContact O-CA 3.13Å; M206-Y225 WeakPolarHBondContact O-CB 3.12Å; Y225-R227 HydrophobicContact CD2-CG 3.7Å; Y225-R227 HydrophobicContact CE2-CG 3.81Å
226D95.4Very high96.1Very high34 Ų3422.4 Ų22.418%0.18211%0.112CC..EExtended strand (participates in β ladder)trans-120.3127.1154.1-175.5-36.6000107.9S205 M206 S228 L229 R313 P317S205-D226 WeakPolarHBondContact CA-O 3.45Å; S205-D226 WeakPolarHBondContact CB-O 3.3Å; M206-D226 PolarHBondContact N-O 3.3Å; M206-D226 PolarHBondContact O-N 3.02Å; D226-S228 VanDerWaalsContact C-N 3.32Å; D226-S228 PolarHBondContact O-N 2.88Å; D226-S228 PolarHBondContact OD1-N 3.23Å; D226-L229 HydrophobicContact CB-CB 3.78Å; D226-L229 HydrophobicContact CB-CD1 4.13Å; D226-R313 VanDerWaalsContact CG-NH1 3.28Å; D226-R313 IonicContact OD1-NH1 2.35Å; D226-R313 PolarHBondContact OD1-NH1 3.16Å; D226-R313 IonicContact OD2-CZ 2.66Å; D226-R313 IonicContact OD2-NH1 2.7Å; D226-R313 PolarHBondContact OD2-NH1 3.44Å; D226-P317 HydrophobicContact CB-CG 3.88Å
227R93.3Very high96.3Very high19 Ų1922.7 Ų22.77%0.07211%0.108CC..THydrogen-bonded Turntrans-77.8-14.9-173.1-57177.171.4159.73.3113.1R69 Y147 A204 Y225 D449R69-R227 PolarHBondContact NH1-O 3.18Å; Y147-R227 HydrophobicContact CD1-CG 4.33Å; Y147-R227 HydrophobicContact CD2-CG 4Å; Y147-R227 HydrophobicContact CE2-CG 4.29Å; Y147-R227 HydrophobicContact CG-CG 4.03Å; A204-R227 VanDerWaalsContact O-O 3.11Å; Y225-R227 HydrophobicContact CD2-CG 3.7Å; Y225-R227 HydrophobicContact CE2-CG 3.81Å; R227-D449 WeakPolarHBondContact CD-OD2 3.35Å; R227-D449 IonicContact CZ-OD2 2.68Å; R227-D449 IonicContact NE-OD2 2.89Å; R227-D449 IonicContact NH1-OD2 3.7Å; R227-D449 PolarHBondContact NH1-OD2 3.35Å
228S92.9Very high96.4Very high11 Ų1119.4 Ų19.48%0.0779%0.093CC..THydrogen-bonded Turntrans-135.454.4-178.5-79.60000110.7R69 E79 A204 D226 R313R69-S228 PolarHBondContact NH2-OG 3.29Å; E79-S228 PolarHBondContact OE1-OG 2.91Å; A204-S228 WeakPolarHBondContact O-CA 3.4Å; D226-S228 VanDerWaalsContact C-N 3.32Å; D226-S228 PolarHBondContact O-N 2.88Å; D226-S228 PolarHBondContact OD1-N 3.23Å; S228-R313 VanDerWaalsContact O-CZ 3.29Å; S228-R313 PolarHBondContact O-NH1 3.03Å; S228-R313 PolarHBondContact O-NH2 3.19Å
229L95.8Very high96.4Very high0 Ų019.4 Ų19.40%09%0.093CC..  trans-143.480.3177.7-159178.8000109.1A204 S205 M206 D226 I310 R313 V314A204-L229 PolarHBondContact O-N 3.47Å; S205-L229 CarbonylContact C-O 3.53Å; S205-L229 WeakPolarHBondContact CA-O 3.47Å; M206-L229 HydrophobicContact CB-CB 4.18Å; M206-L229 HydrophobicContact CB-CD2 4.37Å; M206-L229 WeakPolarHBondContact CB-O 3.49Å; M206-L229 PolarHBondContact N-O 2.96Å; M206-L229 HydrophobicContact SD-CD1 4.06Å; M206-L229 HydrophobicContact SD-CD2 4.47Å; D226-L229 HydrophobicContact CB-CB 3.78Å; D226-L229 HydrophobicContact CB-CD1 4.13Å; L229-I310 HydrophobicContact CD2-CG2 3.84Å; L229-I310 HydrophobicContact CG-CG2 3.97Å; L229-R313 HydrophobicContact CD1-CB 3.73Å; L229-V314 HydrophobicContact CD1-CG2 4.09Å; L229-V314 HydrophobicContact CD2-CG2 4.19Å
230G96.4Very high96.4Very high0 Ų019.5 Ų19.50%09%0.094CC..SBendtrans-140.1-173.717700000113.3G202 H203 R232 D233 F234G202-G230 CarbonylContact O-C 3.58Å; G202-G230 VanDerWaalsContact O-CA 3.26Å; G202-G230 WeakPolarHBondContact O-CA 3.25Å; H203-G230 CarbonylContact O-C 3.54Å; G230-R232 PolarHBondContact O-N 2.83Å; G230-R232 VanDerWaalsContact O-N 3.12Å; G230-D233 PolarHBondContact N-OD2 3.19Å; G230-D233 PolarHBondContact O-N 2.96Å; G230-D233 VanDerWaalsContact O-N 3.07Å; G230-F234 WeakPolarHBondContact O-CD2 3.29Å
231G96.5Very high96.4Very high0 Ų021.1 Ų21.10%010%0.101CC..Hα-helixtrans-51.8-33.6-179.900000114.6G202 H203 D233 D235 K272G202-G231 PolarHBondContact O-N 2.91Å; H203-G231 PolarHBondContact O-N 2.81Å; H203-G231 VanDerWaalsContact O-N 3.09Å; G231-D233 VanDerWaalsContact C-N 3.34Å; G231-D235 PolarHBondContact O-N 3.31Å; G231-K272 PolarHBondContact O-NZ 2.86Å
232R95.9Very high96.4Very high30 Ų3019.1 Ų19.111%0.1139%0.09CC..Hα-helixtrans-67.1-31.8179.979-173.4-173.414013.9113.5D83 H203 G230 F234 D235 E236D83-R232 IonicContact OD1-CZ 3.47Å; D83-R232 IonicContact OD1-NH1 3.6Å; D83-R232 PolarHBondContact OD1-NH1 2.79Å; D83-R232 IonicContact OD1-NH2 2.72Å; D83-R232 PolarHBondContact OD1-NH2 2.82Å; H203-R232 WeakPolarHBondContact NE2-CB 3.26Å; H203-R232 VanDerWaalsContact O-CB 3.25Å; H203-R232 WeakPolarHBondContact O-CB 3.36Å; H203-R232 VanDerWaalsContact O-CG 3.27Å; H203-R232 WeakPolarHBondContact O-CG 3.28Å; H203-R232 PolarHBondContact O-N 3.28Å; G230-R232 PolarHBondContact O-N 2.83Å; G230-R232 VanDerWaalsContact O-N 3.12Å; R232-F234 VanDerWaalsContact C-N 3.3Å; R232-D235 WeakPolarHBondContact CA-OD2 3.36Å; R232-D235 WeakPolarHBondContact O-CB 3.34Å; R232-D235 PolarHBondContact O-N 3.46Å; R232-E236 WeakPolarHBondContact O-CB 3.3Å; R232-E236 PolarHBondContact O-N 2.84Å
233D96Very high96.4Very high27 Ų2718.9 Ų18.914%0.1449%0.089CC..Hα-helixtrans-71.6-35.7-174.4-59.4-78.6000108.8G230 G231 E236 V237 I310G230-D233 PolarHBondContact N-OD2 3.19Å; G230-D233 PolarHBondContact O-N 2.96Å; G230-D233 VanDerWaalsContact O-N 3.07Å; G231-D233 VanDerWaalsContact C-N 3.34Å; D233-E236 WeakPolarHBondContact O-CB 3.33Å; D233-E236 PolarHBondContact O-N 3.14Å; D233-V237 VanDerWaalsContact O-CG2 3.26Å; D233-V237 WeakPolarHBondContact O-CG2 3.37Å; D233-V237 PolarHBondContact O-N 3.49Å; D233-I310 HydrophobicContact CB-CD1 3.79Å; D233-I310 HydrophobicContact CB-CG1 4.38Å; D233-I310 VanDerWaalsContact O-CD1 3.31Å; D233-I310 WeakPolarHBondContact O-CD1 3.39Å
234F97.5Very high96.6Very high1 Ų121.7 Ų21.70%0.00411%0.113CC..Hα-helixtrans-64.7-40.2168.7-65.3-82.4000112.7G230 R232 E236 V237 L238 K272 F303 I310 L311 V344 I347G230-F234 WeakPolarHBondContact O-CD2 3.29Å; R232-F234 VanDerWaalsContact C-N 3.3Å; F234-E236 VanDerWaalsContact C-N 3.27Å; F234-E236 PolarHBondContact O-N 3.22Å; F234-V237 PolarHBondContact O-N 3.12Å; F234-L238 PolarHBondContact O-N 3.31Å; F234-L238 VanDerWaalsContact O-N 3.15Å; F234-K272 HydrophobicContact CB-CD 3.9Å; F234-F303 HydrophobicContact CB-CE2 4.03Å; F234-F303 HydrophobicContact CB-CZ 3.93Å; F234-F303 HydrophobicContact CD1-CE2 4.06Å; F234-F303 AromaticContact CD1-CZ 3.74Å; F234-F303 HydrophobicContact CD1-CZ 3.74Å; F234-F303 HydrophobicContact CG-CZ 4.17Å; F234-I310 HydrophobicContact CD1-CD1 4.24Å; F234-I310 HydrophobicContact CD2-CG2 4.44Å; F234-I310 HydrophobicContact CE1-CB 4.32Å; F234-I310 HydrophobicContact CE1-CG2 4.11Å; F234-I310 HydrophobicContact CE2-CG2 3.79Å; F234-I310 HydrophobicContact CG-CD1 4.34Å; F234-I310 HydrophobicContact CZ-CB 4.29Å; F234-I310 HydrophobicContact CZ-CG2 3.61Å; F234-L311 HydrophobicContact CE1-CD2 3.94Å; F234-L311 HydrophobicContact CE1-CG 4.3Å; F234-L311 HydrophobicContact CZ-CD2 4.01Å; F234-V344 HydrophobicContact CD2-CG2 4.41Å; F234-V344 HydrophobicContact CE1-CG1 4.17Å; F234-V344 HydrophobicContact CG-CG2 4.44Å; F234-V344 HydrophobicContact CZ-CG1 4.44Å; F234-I347 HydrophobicContact CE2-CD1 3.95Å; F234-I347 HydrophobicContact CZ-CD1 3.93Å; F234-I347 HydrophobicContact CZ-CG1 4.27Å
235D97Very high96.6Very high11 Ų1124.6 Ų24.66%0.05913%0.126CC..Hα-helixtrans-63.9-35.5175.3-57.8-39.1000111.7G231 R232 L238 F239 E269 K272G231-D235 PolarHBondContact O-N 3.31Å; R232-D235 WeakPolarHBondContact CA-OD2 3.36Å; R232-D235 WeakPolarHBondContact O-CB 3.34Å; R232-D235 PolarHBondContact O-N 3.46Å; D235-L238 PolarHBondContact O-N 2.78Å; D235-F239 WeakPolarHBondContact O-CB 3.25Å; D235-F239 PolarHBondContact O-N 2.77Å; D235-E269 VanDerWaalsContact OD1-CA 3.28Å; D235-E269 WeakPolarHBondContact OD1-CA 3.18Å; D235-K272 VanDerWaalsContact OD1-CD 3.27Å; D235-K272 WeakPolarHBondContact OD1-CD 3.48Å; D235-K272 VanDerWaalsContact OD1-CE 3.27Å; D235-K272 WeakPolarHBondContact OD1-CE 3.4Å; D235-K272 IonicContact OD1-NZ 3.76Å; D235-K272 PolarHBondContact OD1-NZ 2.89Å; D235-K272 IonicContact OD2-NZ 2.63Å; D235-K272 PolarHBondContact OD2-NZ 3.38Å
236E96Very high96.7Very high39 Ų3923 Ų2318%0.18212%0.119CC..Hα-helixtrans-66.1-35176.1-178.860.5-157.500112.3R232 D233 F234 K240 R265R232-E236 WeakPolarHBondContact O-CB 3.3Å; R232-E236 PolarHBondContact O-N 2.84Å; D233-E236 WeakPolarHBondContact O-CB 3.33Å; D233-E236 PolarHBondContact O-N 3.14Å; F234-E236 VanDerWaalsContact C-N 3.27Å; F234-E236 PolarHBondContact O-N 3.22Å; E236-K240 HydrophobicContact CG-CD 4.36Å; E236-K240 WeakPolarHBondContact O-CB 3.4Å; E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 3.23Å; E236-K240 WeakPolarHBondContact OE1-CE 3.42Å; E236-K240 IonicContact OE1-NZ 2.75Å; E236-K240 PolarHBondContact OE1-NZ 3.3Å; E236-R265 IonicContact OE1-NH2 3.72Å; E236-R265 IonicContact OE2-CZ 2.72Å; E236-R265 IonicContact OE2-NH1 2.78Å; E236-R265 PolarHBondContact OE2-NH1 2.96Å; E236-R265 IonicContact OE2-NH2 3.21Å; E236-R265 PolarHBondContact OE2-NH2 3.42Å
237V97.2Very high96.8Very high29 Ų2926.3 Ų26.318%0.17613%0.132CC..Hα-helixtrans-69.9-45.4174.3-158.40000111.3D233 F234 F239 K240 H241 I306 I310D233-V237 VanDerWaalsContact O-CG2 3.26Å; D233-V237 WeakPolarHBondContact O-CG2 3.37Å; D233-V237 PolarHBondContact O-N 3.49Å; F234-V237 PolarHBondContact O-N 3.12Å; V237-F239 VanDerWaalsContact C-N 3.34Å; V237-F239 PolarHBondContact O-N 2.98Å; V237-K240 PolarHBondContact O-N 3.02Å; V237-H241 WeakPolarHBondContact O-CB 3.39Å; V237-H241 PolarHBondContact O-N 3.02Å; V237-I306 HydrophobicContact CB-CG1 4.47Å; V237-I306 HydrophobicContact CG1-CB 3.75Å; V237-I306 HydrophobicContact CG1-CD1 3.86Å; V237-I306 HydrophobicContact CG1-CG1 3.62Å; V237-I306 WeakPolarHBondContact CG1-O 3.04Å; V237-I310 HydrophobicContact CG2-CD1 3.51Å
238L98.1Very high97.1Very high0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-60-45.3174.6-73.2170.5000111F234 D235 K240 H241 F242 C268 L271 K272 I298 F303 I306F234-L238 PolarHBondContact O-N 3.31Å; F234-L238 VanDerWaalsContact O-N 3.15Å; D235-L238 PolarHBondContact O-N 2.78Å; L238-K240 PolarHBondContact O-N 3.28Å; L238-H241 PolarHBondContact O-N 3.02Å; L238-F242 HydrophobicContact CD2-CE2 4.26Å; L238-F242 VanDerWaalsContact O-CD2 3.27Å; L238-F242 WeakPolarHBondContact O-CD2 3.38Å; L238-F242 PolarHBondContact O-N 3.47Å; L238-C268 HydrophobicContact CB-CB 3.81Å; L238-C268 WeakPolarHBondContact CD1-O 3.49Å; L238-L271 HydrophobicContact CD2-CD2 4.32Å; L238-K272 HydrophobicContact CD1-CB 3.89Å; L238-I298 HydrophobicContact CD2-CD1 3.92Å; L238-I298 HydrophobicContact CD2-CG2 4.41Å; L238-F303 HydrophobicContact CD1-CD2 4Å; L238-F303 HydrophobicContact CD1-CE2 3.8Å; L238-F303 HydrophobicContact CD1-CZ 4.49Å; L238-F303 HydrophobicContact CD2-CB 4.48Å; L238-F303 HydrophobicContact CD2-CD2 3.6Å; L238-F303 HydrophobicContact CD2-CE2 4.23Å; L238-F303 HydrophobicContact CD2-CG 4.29Å; L238-F303 HydrophobicContact CG-CD2 3.71Å; L238-F303 HydrophobicContact CG-CE2 3.82Å; L238-I306 HydrophobicContact CD2-CD1 4.5Å
239F97.8Very high97.3Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-58.7-47.2176.5174-97.8000111.5D235 V237 F242 A243 V254 Y255 C261 L264 R265 C268D235-F239 WeakPolarHBondContact O-CB 3.25Å; D235-F239 PolarHBondContact O-N 2.77Å; V237-F239 VanDerWaalsContact C-N 3.34Å; V237-F239 PolarHBondContact O-N 2.98Å; F239-F242 PolarHBondContact O-N 3.41Å; F239-A243 WeakPolarHBondContact O-CB 3.5Å; F239-A243 PolarHBondContact O-N 2.93Å; F239-V254 HydrophobicContact CE2-CG2 4.44Å; F239-V254 HydrophobicContact CZ-CG2 4.31Å; F239-Y255 HydrophobicContact CE1-CD1 4.47Å; F239-Y255 AromaticContact CE1-CE1 3.64Å; F239-Y255 HydrophobicContact CE1-CE1 3.64Å; F239-Y255 AromaticContact CE1-CZ 3.65Å; F239-Y255 HydrophobicContact CZ-CE1 4.17Å; F239-C261 HydrophobicContact CE2-CB 4.48Å; F239-C261 HydrophobicContact CZ-CB 4.44Å; F239-L264 HydrophobicContact CD2-CB 4.14Å; F239-L264 HydrophobicContact CD2-CD2 3.79Å; F239-L264 HydrophobicContact CD2-CG 3.79Å; F239-L264 HydrophobicContact CE2-CB 4.11Å; F239-L264 HydrophobicContact CE2-CD2 3.83Å; F239-L264 HydrophobicContact CE2-CG 4.1Å; F239-R265 HydrophobicContact CB-CG 4.5Å; F239-R265 HydrophobicContact CD2-CG 3.48Å; F239-R265 VanDerWaalsContact CD2-CG 3.48Å; F239-R265 HydrophobicContact CE2-CG 3.87Å; F239-R265 HydrophobicContact CG-CG 4.03Å; F239-C268 VanDerWaalsContact CA-SG 3.57Å; F239-C268 PolarHBondContact N-SG 3.17Å
240K97.6Very high97.3Very high110 Ų11038.2 Ų38.248%0.47819%0.188SC..Hα-helixtrans-62-43.7176.1-80.4170.6165.5122.10112.7E236 V237 L238 A244E236-K240 HydrophobicContact CG-CD 4.36Å; E236-K240 WeakPolarHBondContact O-CB 3.4Å; E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 3.23Å; E236-K240 WeakPolarHBondContact OE1-CE 3.42Å; E236-K240 IonicContact OE1-NZ 2.75Å; E236-K240 PolarHBondContact OE1-NZ 3.3Å; V237-K240 PolarHBondContact O-N 3.02Å; L238-K240 PolarHBondContact O-N 3.28Å; K240-A244 WeakPolarHBondContact O-CB 3.35Å; K240-A244 PolarHBondContact O-N 3.46Å
241H98Very high97.4Very high45 Ų4544.6 Ų44.621%0.20822%0.216CC..Hα-helixtrans-59.1-53.6175.9173.7104.2000111.1V237 L238 A244 K245 E302 I306V237-H241 WeakPolarHBondContact O-CB 3.39Å; V237-H241 PolarHBondContact O-N 3.02Å; L238-H241 PolarHBondContact O-N 3.02Å; H241-A244 PolarHBondContact O-N 3.47Å; H241-K245 WeakPolarHBondContact O-CB 3.49Å; H241-K245 PolarHBondContact O-N 3.42Å; H241-E302 IonicContact CE1-OE1 2.67Å; H241-E302 PolarHBondContact CE1-OE1 2.77Å; H241-I306 HydrophobicContact CB-CD1 4.01Å
242F98.4Very high97.4Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-72.3-32.7-177.8-74.9-65.7000113.6L238 F239 K245 F246 L264 L271 M283 G296 I298L238-F242 HydrophobicContact CD2-CE2 4.26Å; L238-F242 VanDerWaalsContact O-CD2 3.27Å; L238-F242 WeakPolarHBondContact O-CD2 3.38Å; L238-F242 PolarHBondContact O-N 3.47Å; F239-F242 PolarHBondContact O-N 3.41Å; F242-K245 HydrophobicContact CD1-CD 4.3Å; F242-K245 HydrophobicContact CE1-CD 4.35Å; F242-K245 PolarHBondContact O-N 3.13Å; F242-F246 HydrophobicContact CB-CD2 4.33Å; F242-F246 HydrophobicContact CB-CE2 3.9Å; F242-F246 HydrophobicContact CB-CZ 4.18Å; F242-F246 HydrophobicContact CD1-CE1 4.05Å; F242-F246 HydrophobicContact CD1-CE2 4.28Å; F242-F246 AromaticContact CD1-CZ 3.69Å; F242-F246 HydrophobicContact CD1-CZ 3.69Å; F242-F246 HydrophobicContact CG-CE2 4.42Å; F242-F246 HydrophobicContact CG-CZ 4.26Å; F242-F246 WeakPolarHBondContact O-CB 3.5Å; F242-F246 VanDerWaalsContact O-CD2 3.28Å; F242-F246 WeakPolarHBondContact O-CD2 3.45Å; F242-F246 WeakPolarHBondContact O-CG 3.41Å; F242-F246 PolarHBondContact O-N 2.92Å; F242-L264 HydrophobicContact CB-CD1 3.99Å; F242-L264 HydrophobicContact CB-CD2 4.34Å; F242-L271 HydrophobicContact CD2-CD2 4.32Å; F242-L271 HydrophobicContact CE2-CD2 3.41Å; F242-L271 VanDerWaalsContact CE2-CD2 3.41Å; F242-L271 HydrophobicContact CZ-CD2 3.9Å; F242-M283 HydrophobicContact CD2-CE 3.72Å; F242-M283 HydrophobicContact CD2-SD 4.46Å; F242-M283 HydrophobicContact CE2-CE 3.95Å; F242-M283 HydrophobicContact CG-CE 4.19Å; F242-M283 HydrophobicContact CG-SD 4.36Å; F242-G296 VanDerWaalsContact CE1-CA 3.5Å; F242-I298 HydrophobicContact CE2-CG2 4.4Å; F242-I298 HydrophobicContact CZ-CB 4.04Å; F242-I298 HydrophobicContact CZ-CG2 4.21Å
243A98Very high97.4Very high1 Ų144.7 Ų44.71%0.00822%0.219CC..Hα-helixtrans-64.2-42.3173.300000111.7F239 K247 V254 Y255 L264F239-A243 WeakPolarHBondContact O-CB 3.5Å; F239-A243 PolarHBondContact O-N 2.93Å; A243-K247 VanDerWaalsContact O-CB 3.25Å; A243-K247 WeakPolarHBondContact O-CB 3.35Å; A243-K247 PolarHBondContact O-N 3.47Å; A243-K247 VanDerWaalsContact O-N 3.08Å; A243-V254 HydrophobicContact CB-CG2 3.54Å; A243-Y255 HydrophobicContact CB-CD2 4.43Å; A243-Y255 HydrophobicContact CB-CE2 3.64Å; A243-L264 HydrophobicContact CB-CD2 4.16Å
244A98.2Very high97.4Very high65 Ų6543.4 Ų43.454%0.53721%0.212SC..Hα-helixtrans-64.8-45.5173.400000111.5K240 H241 K247 D248K240-A244 WeakPolarHBondContact O-CB 3.35Å; K240-A244 PolarHBondContact O-N 3.46Å; H241-A244 PolarHBondContact O-N 3.47Å; A244-K247 PolarHBondContact O-N 3.22Å; A244-D248 PolarHBondContact O-N 2.74Å
245K97.4Very high97.3Very high60 Ų6048.8 Ų48.826%0.26123%0.233SC..Hα-helixtrans-59.3-48.8178-173.9170.4-174.4168.20112.4H241 F242 K247 D248 E249H241-K245 WeakPolarHBondContact O-CB 3.49Å; H241-K245 PolarHBondContact O-N 3.42Å; F242-K245 HydrophobicContact CD1-CD 4.3Å; F242-K245 HydrophobicContact CE1-CD 4.35Å; F242-K245 PolarHBondContact O-N 3.13Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 3Å; K245-D248 PolarHBondContact O-N 2.81Å; K245-D248 VanDerWaalsContact O-N 3.14Å; K245-E249 WeakPolarHBondContact CE-OE1 3.47Å; K245-E249 WeakPolarHBondContact CE-OE2 3.37Å; K245-E249 HydrophobicContact CG-CG 4.27Å; K245-E249 WeakPolarHBondContact CG-OE2 3.48Å; K245-E249 IonicContact NZ-OE1 2.76Å; K245-E249 PolarHBondContact O-N 2.89Å
246F97.9Very high97.1Very high0 Ų055.1 Ų55.10%026%0.262CS..Hα-helixtrans-73.5-24.7-178.6-57.5-26.5000113.3F242 D248 Y250 K251 I252 L264 M283 L288 V294F242-F246 HydrophobicContact CB-CD2 4.33Å; F242-F246 HydrophobicContact CB-CE2 3.9Å; F242-F246 HydrophobicContact CB-CZ 4.18Å; F242-F246 HydrophobicContact CD1-CE1 4.05Å; F242-F246 HydrophobicContact CD1-CE2 4.28Å; F242-F246 AromaticContact CD1-CZ 3.69Å; F242-F246 HydrophobicContact CD1-CZ 3.69Å; F242-F246 HydrophobicContact CG-CE2 4.42Å; F242-F246 HydrophobicContact CG-CZ 4.26Å; F242-F246 WeakPolarHBondContact O-CB 3.5Å; F242-F246 VanDerWaalsContact O-CD2 3.28Å; F242-F246 WeakPolarHBondContact O-CD2 3.45Å; F242-F246 WeakPolarHBondContact O-CG 3.41Å; F242-F246 PolarHBondContact O-N 2.92Å; F246-D248 VanDerWaalsContact C-N 3.29Å; F246-D248 PolarHBondContact O-N 3.43Å; F246-Y250 HydrophobicContact CB-CD2 4.27Å; F246-Y250 AromaticContact CD1-CD2 3.71Å; F246-Y250 HydrophobicContact CD1-CD2 3.71Å; F246-Y250 AromaticContact CD1-CE2 3.78Å; F246-Y250 HydrophobicContact CD1-CE2 3.78Å; F246-Y250 HydrophobicContact CE1-CD2 4.49Å; F246-Y250 HydrophobicContact CE1-CE2 4.14Å; F246-Y250 HydrophobicContact CG-CD2 4.29Å; F246-Y250 CarbonylContact O-C 3.54Å; F246-Y250 WeakPolarHBondContact O-CA 3.44Å; F246-Y250 WeakPolarHBondContact O-CB 3.45Å; F246-Y250 PolarHBondContact O-N 2.87Å; F246-Y250 VanDerWaalsContact O-N 3.1Å; F246-K251 PolarHBondContact O-N 2.94Å; F246-K251 VanDerWaalsContact O-N 3.15Å; F246-I252 HydrophobicContact CB-CD1 4.24Å; F246-I252 HydrophobicContact CB-CG1 4.05Å; F246-I252 PolarHBondContact O-N 3.37Å; F246-L264 HydrophobicContact CD2-CD1 4.33Å; F246-L264 HydrophobicContact CD2-CD2 4.46Å; F246-L264 HydrophobicContact CE2-CD1 3.78Å; F246-M283 HydrophobicContact CE2-SD 4.3Å; F246-M283 HydrophobicContact CZ-SD 4.27Å; F246-L288 HydrophobicContact CD2-CD2 4.06Å; F246-L288 HydrophobicContact CE2-CD2 4.4Å; F246-V294 HydrophobicContact CB-CG1 4.46Å; F246-V294 HydrophobicContact CD1-CB 4.08Å; F246-V294 HydrophobicContact CD1-CG1 4.33Å; F246-V294 HydrophobicContact CD2-CB 4.09Å; F246-V294 HydrophobicContact CD2-CG1 4.22Å; F246-V294 HydrophobicContact CD2-CG2 3.93Å; F246-V294 HydrophobicContact CE1-CB 3.95Å; F246-V294 HydrophobicContact CE1-CG2 4.38Å; F246-V294 HydrophobicContact CE2-CB 3.95Å; F246-V294 HydrophobicContact CE2-CG2 3.54Å; F246-V294 HydrophobicContact CG-CB 4.16Å; F246-V294 HydrophobicContact CG-CG1 4.09Å; F246-V294 HydrophobicContact CZ-CB 3.89Å; F246-V294 HydrophobicContact CZ-CG2 3.8Å
247K97.8Very high96.9Very high105 Ų10556.1 Ų56.146%0.45727%0.269SS..Hα-helixtrans-67.6-27.5168.9-170.9165.5-178.8166.80113A243 A244 K245 K251 I252 D253A243-K247 VanDerWaalsContact O-CB 3.25Å; A243-K247 WeakPolarHBondContact O-CB 3.35Å; A243-K247 PolarHBondContact O-N 3.47Å; A243-K247 VanDerWaalsContact O-N 3.08Å; A244-K247 PolarHBondContact O-N 3.22Å; K245-K247 VanDerWaalsContact C-N 3.33Å; K245-K247 PolarHBondContact O-N 3Å; K247-K251 WeakPolarHBondContact O-CA 3.43Å; K247-I252 WeakPolarHBondContact CA-O 3.33Å; K247-I252 WeakPolarHBondContact CB-O 3.23Å; K247-I252 PolarHBondContact N-O 3.03Å; K247-D253 HydrophobicContact CD-CB 4.16Å; K247-D253 IonicContact NZ-OD1 3.15Å; K247-D253 IonicContact NZ-OD2 2.66Å; K247-D253 PolarHBondContact NZ-OD2 3.19Å
248D97.9Very high96.6Very high107 Ų10756.5 Ų56.557%0.57228%0.275SS*.Hα-helixtrans-91.1-52.6172.1-166.636.8000113.6A244 K245 F246 K251A244-D248 PolarHBondContact O-N 2.74Å; K245-D248 PolarHBondContact O-N 2.81Å; K245-D248 VanDerWaalsContact O-N 3.14Å; F246-D248 VanDerWaalsContact C-N 3.29Å; F246-D248 PolarHBondContact O-N 3.43Å; D248-K251 WeakPolarHBondContact O-CD 3.29Å; D248-K251 WeakPolarHBondContact O-CE 3.36Å; D248-K251 PolarHBondContact O-NZ 3.4Å; D248-K251 IonicContact OD1-NZ 3.89Å; D248-K251 PolarHBondContact OD1-NZ 3.05Å
249E97.5Very high96.2Very high107 Ų10762.1 Ų62.150%0.530%0.296SS..Hα-helixtrans-70.2-42.4-174-69.4178.4165.500113K245K245-E249 WeakPolarHBondContact CE-OE1 3.47Å; K245-E249 WeakPolarHBondContact CE-OE2 3.37Å; K245-E249 HydrophobicContact CG-CG 4.27Å; K245-E249 WeakPolarHBondContact CG-OE2 3.48Å; K245-E249 IonicContact NZ-OE1 2.76Å; K245-E249 PolarHBondContact O-N 2.89Å
250Y97.1Very high96.1Very high65 Ų6562.2 Ų62.226%0.25530%0.297SS..SBendtrans-108.1-4.5-173.1-62.7-92.7000113.3F246 I252 K292 D293 V294 R295F246-Y250 HydrophobicContact CB-CD2 4.27Å; F246-Y250 AromaticContact CD1-CD2 3.71Å; F246-Y250 HydrophobicContact CD1-CD2 3.71Å; F246-Y250 AromaticContact CD1-CE2 3.78Å; F246-Y250 HydrophobicContact CD1-CE2 3.78Å; F246-Y250 HydrophobicContact CE1-CD2 4.49Å; F246-Y250 HydrophobicContact CE1-CE2 4.14Å; F246-Y250 HydrophobicContact CG-CD2 4.29Å; F246-Y250 CarbonylContact O-C 3.54Å; F246-Y250 WeakPolarHBondContact O-CA 3.44Å; F246-Y250 WeakPolarHBondContact O-CB 3.45Å; F246-Y250 PolarHBondContact O-N 2.87Å; F246-Y250 VanDerWaalsContact O-N 3.1Å; Y250-I252 VanDerWaalsContact C-N 3.29Å; Y250-I252 PolarHBondContact O-N 2.72Å; Y250-K292 WeakPolarHBondContact O-CD 3.47Å; Y250-K292 WeakPolarHBondContact O-CE 3.36Å; Y250-K292 PolarHBondContact O-NZ 3.09Å; Y250-D293 WeakPolarHBondContact CD1-O 3.34Å; Y250-D293 WeakPolarHBondContact CE1-O 3.39Å; Y250-V294 HydrophobicContact CD1-CG1 3.99Å; Y250-V294 HydrophobicContact CD2-CB 4.33Å; Y250-V294 HydrophobicContact CD2-CG1 3.9Å; Y250-V294 HydrophobicContact CE1-CG1 4.3Å; Y250-V294 HydrophobicContact CE2-CB 4.18Å; Y250-V294 HydrophobicContact CE2-CG1 4.23Å; Y250-V294 HydrophobicContact CG-CG1 3.77Å; Y250-R295 PolarHBondContact OH-N 2.79Å
251K97Very high95.9Very high135 Ų13558 Ų5859%0.58728%0.281SS*.  trans49.946.6-175.4-50.3-57.3-179.5-162.10112.4F246 K247 D248 K292F246-K251 PolarHBondContact O-N 2.94Å; F246-K251 VanDerWaalsContact O-N 3.15Å; K247-K251 WeakPolarHBondContact O-CA 3.43Å; D248-K251 WeakPolarHBondContact O-CD 3.29Å; D248-K251 WeakPolarHBondContact O-CE 3.36Å; D248-K251 PolarHBondContact O-NZ 3.4Å; D248-K251 IonicContact OD1-NZ 3.89Å; D248-K251 PolarHBondContact OD1-NZ 3.05Å; K251-K292 PolarHBondContact O-NZ 3.28Å
252I96.7Very high95.6Very high2 Ų257.3 Ų57.31%0.0128%0.278CS..  trans-116.9135.3171.658.3172.5000110.4F246 K247 Y250 V254 L288 M289 D290 K292 V294F246-I252 HydrophobicContact CB-CD1 4.24Å; F246-I252 HydrophobicContact CB-CG1 4.05Å; F246-I252 PolarHBondContact O-N 3.37Å; K247-I252 WeakPolarHBondContact CA-O 3.33Å; K247-I252 WeakPolarHBondContact CB-O 3.23Å; K247-I252 PolarHBondContact N-O 3.03Å; Y250-I252 VanDerWaalsContact C-N 3.29Å; Y250-I252 PolarHBondContact O-N 2.72Å; I252-V254 HydrophobicContact CD1-CG1 4.28Å; I252-L288 HydrophobicContact CD1-CB 4.48Å; I252-L288 HydrophobicContact CD1-CD2 3.95Å; I252-L288 HydrophobicContact CD1-CG 4.27Å; I252-M289 HydrophobicContact CB-CB 4.23Å; I252-M289 HydrophobicContact CB-CG 4.32Å; I252-M289 HydrophobicContact CB-SD 4.28Å; I252-M289 HydrophobicContact CD1-CB 4.06Å; I252-M289 HydrophobicContact CG2-CB 4.23Å; I252-M289 HydrophobicContact CG2-CG 4.33Å; I252-D290 HydrophobicContact CG2-CB 4.39Å; I252-K292 HydrophobicContact CG2-CD 3.49Å; I252-K292 VanDerWaalsContact CG2-CD 3.49Å; I252-V294 HydrophobicContact CD1-CG1 3.75Å
253D97Very high95.5Very high29 Ų2960.6 Ų60.616%0.15529%0.291CS..  trans-106.588.9175.9-1707.6000110.3K247 Y255 Q256K247-D253 HydrophobicContact CD-CB 4.16Å; K247-D253 IonicContact NZ-OD1 3.15Å; K247-D253 IonicContact NZ-OD2 2.66Å; K247-D253 PolarHBondContact NZ-OD2 3.19Å; D253-Y255 PolarHBondContact O-N 3.27Å; D253-Y255 WeakPolarHBondContact OD1-CD2 3.19Å; D253-Q256 HydrophobicContact CB-CG 3.89Å; D253-Q256 WeakPolarHBondContact O-CB 3.41Å; D253-Q256 WeakPolarHBondContact O-CG 3.43Å; D253-Q256 PolarHBondContact O-N 3.07Å; D253-Q256 PolarHBondContact OD2-NE2 3.04Å
254V95.9Very high95.4Very high0 Ų060.5 Ų60.50%029%0.29CS..G310 helixtrans-55.2-27-175.3-62.90000113.4F239 A243 I252 Q256 N257 A260 C261 L264 L288F239-V254 HydrophobicContact CE2-CG2 4.44Å; F239-V254 HydrophobicContact CZ-CG2 4.31Å; A243-V254 HydrophobicContact CB-CG2 3.54Å; I252-V254 HydrophobicContact CD1-CG1 4.28Å; V254-Q256 PolarHBondContact O-N 2.92Å; V254-N257 CarbonylContact O-C 3.56Å; V254-N257 PolarHBondContact O-N 3.11Å; V254-A260 HydrophobicContact CB-CB 4.26Å; V254-A260 HydrophobicContact CG1-CB 4.27Å; V254-C261 PolarHBondContact O-SG 3.42Å; V254-L264 HydrophobicContact CG1-CD2 4.36Å; V254-L264 HydrophobicContact CG2-CD2 4.04Å; V254-L288 HydrophobicContact CG1-CD2 3.94Å; V254-L288 HydrophobicContact CG1-CG 4.43Å
255Y94.1Very high95.2Very high115 Ų11560.4 Ų60.445%0.45128%0.276SS..G310 helixtrans-62-23.3176.3-68.9-86.2000113.2F239 A243 D253 N257F239-Y255 HydrophobicContact CE1-CD1 4.47Å; F239-Y255 AromaticContact CE1-CE1 3.64Å; F239-Y255 HydrophobicContact CE1-CE1 3.64Å; F239-Y255 AromaticContact CE1-CZ 3.65Å; F239-Y255 HydrophobicContact CZ-CE1 4.17Å; A243-Y255 HydrophobicContact CB-CD2 4.43Å; A243-Y255 HydrophobicContact CB-CE2 3.64Å; D253-Y255 PolarHBondContact O-N 3.27Å; D253-Y255 WeakPolarHBondContact OD1-CD2 3.19Å; Y255-N257 VanDerWaalsContact C-N 3.28Å; Y255-N257 PolarHBondContact O-N 2.89Å
256Q93.8Very high95.1Very high144 Ų14461.4 Ų61.467%0.67329%0.287SS*.G310 helixtrans-80.3-7.7177-48.4-54.9-32.100112.9D253 V254D253-Q256 HydrophobicContact CB-CG 3.89Å; D253-Q256 WeakPolarHBondContact O-CB 3.41Å; D253-Q256 WeakPolarHBondContact O-CG 3.43Å; D253-Q256 PolarHBondContact O-N 3.07Å; D253-Q256 PolarHBondContact OD2-NE2 3.04Å; V254-Q256 PolarHBondContact O-N 2.92Å
257N92Very high95Very high59 Ų5962.3 Ų62.332%0.31629%0.294SS..  trans-135.4106.3-175.2-176.2-29.8000111.4V254 Y255 R259 A260 C261 M289V254-N257 CarbonylContact O-C 3.56Å; V254-N257 PolarHBondContact O-N 3.11Å; Y255-N257 VanDerWaalsContact C-N 3.28Å; Y255-N257 PolarHBondContact O-N 2.89Å; N257-R259 VanDerWaalsContact C-N 3.25Å; N257-R259 PolarHBondContact O-N 3.13Å; N257-R259 WeakPolarHBondContact OD1-CB 3.34Å; N257-R259 PolarHBondContact OD1-N 3.25Å; N257-A260 HydrophobicContact CB-CB 3.87Å; N257-A260 WeakPolarHBondContact O-CB 3.34Å; N257-A260 PolarHBondContact O-N 2.92Å; N257-A260 PolarHBondContact OD1-N 3.48Å; N257-A260 VanDerWaalsContact OD1-N 3.16Å; N257-C261 PolarHBondContact O-N 3.18Å; N257-M289 HydrophobicContact CB-CE 4.42Å; N257-M289 HydrophobicContact CB-SD 3.92Å
258A89.8Confident95Very high37 Ų3757.3 Ų57.331%0.30627%0.272SS..Hα-helixtrans-56.8-33.9-178.300000113.9P60 I262P60-A258 HydrophobicContact CB-CB 4.33Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 3.07Å
259R91.6Very high95Very high119 Ų11953.9 Ų53.945%0.44925%0.253SS..Hα-helixtrans-71.6-39.5176.9-171176.6-175.2-139.52.9111.1T57 M58 N257 R263T57-R259 HydrophobicContact CG2-CG 4.38Å; M58-R259 PolarHBondContact SD-NH2 3.49Å; N257-R259 VanDerWaalsContact C-N 3.25Å; N257-R259 PolarHBondContact O-N 3.13Å; N257-R259 WeakPolarHBondContact OD1-CB 3.34Å; N257-R259 PolarHBondContact OD1-N 3.25Å; R259-R263 WeakPolarHBondContact O-CB 3.41Å; R259-R263 VanDerWaalsContact O-CG 3.27Å; R259-R263 WeakPolarHBondContact O-CG 3.22Å; R259-R263 PolarHBondContact O-N 3.29Å
260A94.2Very high94.9Very high1 Ų155.9 Ų55.91%0.00826%0.26CS..Hα-helixtrans-65.2-44.217300000111.5V254 N257 I262 R263 L264 L288 M289V254-A260 HydrophobicContact CB-CB 4.26Å; V254-A260 HydrophobicContact CG1-CB 4.27Å; N257-A260 HydrophobicContact CB-CB 3.87Å; N257-A260 WeakPolarHBondContact O-CB 3.34Å; N257-A260 PolarHBondContact O-N 2.92Å; N257-A260 PolarHBondContact OD1-N 3.48Å; N257-A260 VanDerWaalsContact OD1-N 3.16Å; A260-I262 PolarHBondContact O-N 3Å; A260-R263 PolarHBondContact O-N 2.9Å; A260-L264 WeakPolarHBondContact O-CB 3.15Å; A260-L264 PolarHBondContact O-N 2.85Å; A260-L288 HydrophobicContact CB-CD1 4.02Å; A260-L288 HydrophobicContact CB-CG 4.33Å; A260-L288 WeakPolarHBondContact CB-O 3.22Å; A260-L288 WeakPolarHBondContact O-CD1 3.32Å; A260-M289 HydrophobicContact CB-CB 4.19Å; A260-M289 HydrophobicContact CB-SD 4.44Å
261C94Very high95Very high22 Ų2253.1 Ų53.115%0.14925%0.25CC..Hα-helixtrans-52.5-52.8172.8-870000112.4F239 V254 N257 L264 R265F239-C261 HydrophobicContact CE2-CB 4.48Å; F239-C261 HydrophobicContact CZ-CB 4.44Å; V254-C261 PolarHBondContact O-SG 3.42Å; N257-C261 PolarHBondContact O-N 3.18Å; C261-L264 PolarHBondContact O-N 2.9Å; C261-R265 VanDerWaalsContact O-CG 3.3Å; C261-R265 WeakPolarHBondContact O-CG 3.46Å; C261-R265 PolarHBondContact O-N 3.03Å
262I91.9Very high95Very high30 Ų3047.3 Ų47.315%0.15423%0.225CC..Hα-helixtrans-64.2-46.3-178.6-70.7168.9000111.3P60 P88 A258 A260 L264 R265 V266P60-I262 HydrophobicContact CB-CD1 3.63Å; P60-I262 HydrophobicContact CG-CD1 4.12Å; P88-I262 HydrophobicContact CB-CD1 4.04Å; P88-I262 HydrophobicContact CG-CD1 4.1Å; A258-I262 WeakPolarHBondContact O-CG1 3.27Å; A258-I262 PolarHBondContact O-N 3.07Å; A260-I262 PolarHBondContact O-N 3Å; I262-L264 VanDerWaalsContact C-N 3.31Å; I262-L264 PolarHBondContact O-N 2.84Å; I262-R265 PolarHBondContact O-N 3.45Å; I262-R265 VanDerWaalsContact O-N 3.12Å; I262-V266 HydrophobicContact CG2-CG2 4.45Å; I262-V266 WeakPolarHBondContact O-CG2 3.3Å; I262-V266 PolarHBondContact O-N 3.28Å
263R94.9Very high95Very high69 Ų6952.8 Ų52.826%0.2625%0.248SC..Hα-helixtrans-60.8-39.4178.6-70.3177.675.6-146.51112.2T57 R259 A260 A267 E286 C287 L288T57-R263 HydrophobicContact CG2-CG 4.05Å; R259-R263 WeakPolarHBondContact O-CB 3.41Å; R259-R263 VanDerWaalsContact O-CG 3.27Å; R259-R263 WeakPolarHBondContact O-CG 3.22Å; R259-R263 PolarHBondContact O-N 3.29Å; A260-R263 PolarHBondContact O-N 2.9Å; R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.49Å; R263-A267 VanDerWaalsContact O-N 3.08Å; R263-E286 PolarHBondContact NH1-O 3.49Å; R263-E286 VanDerWaalsContact NH1-O 3.16Å; R263-E286 PolarHBondContact NH2-O 3.19Å; R263-C287 PolarHBondContact NH1-O 3.33Å; R263-L288 HydrophobicContact CB-CD1 4.01Å
264L96.7Very high95Very high0 Ų053.8 Ų53.80%026%0.255CS..Hα-helixtrans-67.8-39174.1-177.157.9000112.3F239 F242 A243 F246 V254 A260 C261 I262 A267 C268 M283 I285F239-L264 HydrophobicContact CD2-CB 4.14Å; F239-L264 HydrophobicContact CD2-CD2 3.79Å; F239-L264 HydrophobicContact CD2-CG 3.79Å; F239-L264 HydrophobicContact CE2-CB 4.11Å; F239-L264 HydrophobicContact CE2-CD2 3.83Å; F239-L264 HydrophobicContact CE2-CG 4.1Å; F242-L264 HydrophobicContact CB-CD1 3.99Å; F242-L264 HydrophobicContact CB-CD2 4.34Å; A243-L264 HydrophobicContact CB-CD2 4.16Å; F246-L264 HydrophobicContact CD2-CD1 4.33Å; F246-L264 HydrophobicContact CD2-CD2 4.46Å; F246-L264 HydrophobicContact CE2-CD1 3.78Å; V254-L264 HydrophobicContact CG1-CD2 4.36Å; V254-L264 HydrophobicContact CG2-CD2 4.04Å; A260-L264 WeakPolarHBondContact O-CB 3.15Å; A260-L264 PolarHBondContact O-N 2.85Å; C261-L264 PolarHBondContact O-N 2.9Å; I262-L264 VanDerWaalsContact C-N 3.31Å; I262-L264 PolarHBondContact O-N 2.84Å; L264-A267 PolarHBondContact O-N 3.21Å; L264-C268 PolarHBondContact O-N 3.25Å; L264-C268 PolarHBondContact O-SG 2.73Å; L264-M283 HydrophobicContact CD1-CE 4.25Å; L264-M283 HydrophobicContact CD1-SD 3.76Å; L264-I285 HydrophobicContact CB-CD1 4.46Å; L264-I285 HydrophobicContact CD1-CD1 3.75Å
265R95Very high95.1Very high63 Ų6353.8 Ų53.824%0.23826%0.255CS..Hα-helixtrans-62.6-47.6176-73.7176.2177.2-71.1-1.9112.2E236 F239 C261 I262 A267 C268 E269E236-R265 IonicContact OE1-NH2 3.72Å; E236-R265 IonicContact OE2-CZ 2.72Å; E236-R265 IonicContact OE2-NH1 2.78Å; E236-R265 PolarHBondContact OE2-NH1 2.96Å; E236-R265 IonicContact OE2-NH2 3.21Å; E236-R265 PolarHBondContact OE2-NH2 3.42Å; F239-R265 HydrophobicContact CB-CG 4.5Å; F239-R265 HydrophobicContact CD2-CG 3.48Å; F239-R265 VanDerWaalsContact CD2-CG 3.48Å; F239-R265 HydrophobicContact CE2-CG 3.87Å; F239-R265 HydrophobicContact CG-CG 4.03Å; C261-R265 VanDerWaalsContact O-CG 3.3Å; C261-R265 WeakPolarHBondContact O-CG 3.46Å; C261-R265 PolarHBondContact O-N 3.03Å; I262-R265 PolarHBondContact O-N 3.45Å; I262-R265 VanDerWaalsContact O-N 3.12Å; R265-A267 VanDerWaalsContact C-N 3.27Å; R265-A267 PolarHBondContact O-N 2.85Å; R265-C268 WeakPolarHBondContact O-CB 3.38Å; R265-C268 PolarHBondContact O-N 2.88Å; R265-C268 VanDerWaalsContact O-N 3.12Å; R265-E269 VanDerWaalsContact O-CB 3.31Å; R265-E269 WeakPolarHBondContact O-CB 3.4Å; R265-E269 PolarHBondContact O-N 2.72Å
266V94.1Very high95.2Very high81 Ų8149.7 Ų49.749%0.49124%0.243SC..Hα-helixtrans-58.8-39.4174.3173.10000111.4I262 E269 K270I262-V266 HydrophobicContact CG2-CG2 4.45Å; I262-V266 WeakPolarHBondContact O-CG2 3.3Å; I262-V266 PolarHBondContact O-N 3.28Å; V266-E269 PolarHBondContact O-N 3.28Å; V266-K270 WeakPolarHBondContact O-CB 3.41Å; V266-K270 PolarHBondContact O-N 2.74Å
267A97Very high95.3Very high18 Ų1846.6 Ų46.615%0.14924%0.242CC..Hα-helixtrans-67.7-38.217500000113.1R263 L264 R265 L271 M283 I285R263-A267 WeakPolarHBondContact O-CB 3.41Å; R263-A267 PolarHBondContact O-N 3.49Å; R263-A267 VanDerWaalsContact O-N 3.08Å; L264-A267 PolarHBondContact O-N 3.21Å; R265-A267 VanDerWaalsContact C-N 3.27Å; R265-A267 PolarHBondContact O-N 2.85Å; A267-L271 WeakPolarHBondContact O-CB 3.47Å; A267-L271 PolarHBondContact O-N 2.74Å; A267-M283 HydrophobicContact CB-CE 3.96Å; A267-M283 HydrophobicContact CB-CG 4.14Å; A267-M283 HydrophobicContact CB-SD 3.9Å; A267-I285 HydrophobicContact CB-CD1 3.46Å; A267-I285 VanDerWaalsContact CB-CD1 3.46Å; A267-I285 HydrophobicContact CB-CG1 3.86Å
268C97.7Very high95.6Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-65.7-39.9174.7-67.50000111.9L238 F239 L264 R265 L271 K272L238-C268 HydrophobicContact CB-CB 3.81Å; L238-C268 WeakPolarHBondContact CD1-O 3.49Å; F239-C268 VanDerWaalsContact CA-SG 3.57Å; F239-C268 PolarHBondContact N-SG 3.17Å; L264-C268 PolarHBondContact O-N 3.25Å; L264-C268 PolarHBondContact O-SG 2.73Å; R265-C268 WeakPolarHBondContact O-CB 3.38Å; R265-C268 PolarHBondContact O-N 2.88Å; R265-C268 VanDerWaalsContact O-N 3.12Å; C268-L271 WeakPolarHBondContact O-CB 3.37Å; C268-L271 PolarHBondContact O-N 3.22Å; C268-K272 PolarHBondContact O-N 2.81Å
269E96.2Very high95.9Very high36 Ų3650 Ų5017%0.16826%0.26CS..Hα-helixtrans-68.5-42.5-179.9-170-89.2122.200111.4D235 R265 V266 K273D235-E269 VanDerWaalsContact OD1-CA 3.28Å; D235-E269 WeakPolarHBondContact OD1-CA 3.18Å; R265-E269 VanDerWaalsContact O-CB 3.31Å; R265-E269 WeakPolarHBondContact O-CB 3.4Å; R265-E269 PolarHBondContact O-N 2.72Å; V266-E269 PolarHBondContact O-N 3.28Å; E269-K273 PolarHBondContact O-N 2.77Å; E269-K273 WeakPolarHBondContact OE1-CD 3.21Å; E269-K273 WeakPolarHBondContact OE1-CE 3.21Å; E269-K273 IonicContact OE1-NZ 2.72Å; E269-K273 PolarHBondContact OE1-NZ 2.99Å; E269-K273 IonicContact OE2-NZ 2.73Å
270K96.9Very high96.2Very high149 Ų14948 Ų4865%0.64826%0.256SS*.Hα-helixtrans-59.7-43.6166-173.6177.2-178.8179.30112.2V266 K273 V274V266-K270 WeakPolarHBondContact O-CB 3.41Å; V266-K270 PolarHBondContact O-N 2.74Å; K270-K273 WeakPolarHBondContact O-CB 3.43Å; K270-K273 PolarHBondContact O-N 2.63Å; K270-V274 WeakPolarHBondContact O-CG2 3.29Å; K270-V274 PolarHBondContact O-N 3.48Å
271L97.7Very high96.4Very high6 Ų648.6 Ų48.63%0.03126%0.26CS..Hα-helixtrans-63.8-44.3-179.7-179.364.3000112.1L238 F242 A267 C268 K273 V274 L275 S281 M283 I298L238-L271 HydrophobicContact CD2-CD2 4.32Å; F242-L271 HydrophobicContact CD2-CD2 4.32Å; F242-L271 HydrophobicContact CE2-CD2 3.41Å; F242-L271 VanDerWaalsContact CE2-CD2 3.41Å; F242-L271 HydrophobicContact CZ-CD2 3.9Å; A267-L271 WeakPolarHBondContact O-CB 3.47Å; A267-L271 PolarHBondContact O-N 2.74Å; C268-L271 WeakPolarHBondContact O-CB 3.37Å; C268-L271 PolarHBondContact O-N 3.22Å; L271-K273 VanDerWaalsContact C-N 3.31Å; L271-K273 PolarHBondContact O-N 2.7Å; L271-V274 PolarHBondContact O-N 3.23Å; L271-V274 VanDerWaalsContact O-N 3.14Å; L271-L275 HydrophobicContact CD1-CD1 4.29Å; L271-L275 HydrophobicContact CD1-CG 4.29Å; L271-L275 HydrophobicContact CG-CD1 3.94Å; L271-L275 HydrophobicContact CG-CG 4.38Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.16Å; L271-L275 PolarHBondContact O-N 3.32Å; L271-S281 VanDerWaalsContact CD1-CB 3.44Å; L271-S281 WeakPolarHBondContact CD1-OG 3.01Å; L271-M283 HydrophobicContact CB-CE 4.29Å; L271-M283 HydrophobicContact CD2-CB 4.46Å; L271-M283 HydrophobicContact CD2-CE 3.63Å; L271-I298 HydrophobicContact CD1-CG2 4.47Å; L271-I298 HydrophobicContact CD2-CG2 3.87Å; L271-I298 HydrophobicContact CG-CG2 4.37Å
272K97.7Very high96.5Very high14 Ų1452 Ų526%0.06128%0.282CS..Hα-helixtrans-54.5-45.2171.8178.7-17171-152.50111.7G231 F234 D235 L238 C268 L275 S276 F303 V344G231-K272 PolarHBondContact O-NZ 2.86Å; F234-K272 HydrophobicContact CB-CD 3.9Å; D235-K272 VanDerWaalsContact OD1-CD 3.27Å; D235-K272 WeakPolarHBondContact OD1-CD 3.48Å; D235-K272 VanDerWaalsContact OD1-CE 3.27Å; D235-K272 WeakPolarHBondContact OD1-CE 3.4Å; D235-K272 IonicContact OD1-NZ 3.76Å; D235-K272 PolarHBondContact OD1-NZ 2.89Å; D235-K272 IonicContact OD2-NZ 2.63Å; D235-K272 PolarHBondContact OD2-NZ 3.38Å; L238-K272 HydrophobicContact CD1-CB 3.89Å; C268-K272 PolarHBondContact O-N 2.81Å; K272-L275 PolarHBondContact O-N 2.87Å; K272-S276 PolarHBondContact O-N 3.36Å; K272-S276 VanDerWaalsContact O-N 3.09Å; K272-S276 PolarHBondContact O-OG 2.75Å; K272-F303 HydrophobicContact CG-CZ 4.14Å; K272-V344 HydrophobicContact CD-CG2 4.49Å; K272-V344 HydrophobicContact CG-CG2 4.33Å
273K96.8Very high96.7Very high116 Ų11651.1 Ų51.150%0.50428%0.277SS..Hα-helixtrans-61.5-43.8175.9-74.5170.4169.8165.50111.6E269 K270 L271 S276E269-K273 PolarHBondContact O-N 2.77Å; E269-K273 WeakPolarHBondContact OE1-CD 3.21Å; E269-K273 WeakPolarHBondContact OE1-CE 3.21Å; E269-K273 IonicContact OE1-NZ 2.72Å; E269-K273 PolarHBondContact OE1-NZ 2.99Å; E269-K273 IonicContact OE2-NZ 2.73Å; K270-K273 WeakPolarHBondContact O-CB 3.43Å; K270-K273 PolarHBondContact O-N 2.63Å; L271-K273 VanDerWaalsContact C-N 3.31Å; L271-K273 PolarHBondContact O-N 2.7Å; K273-S276 WeakPolarHBondContact O-CB 3.45Å; K273-S276 PolarHBondContact O-N 2.95Å
274V97.5Very high96.8Very high50 Ų5052.4 Ų52.430%0.30329%0.286SS..Hα-helixtrans-67.5-42.5177.7178.20000112.4K270 L271 S276 A277 N278 S281K270-V274 WeakPolarHBondContact O-CG2 3.29Å; K270-V274 PolarHBondContact O-N 3.48Å; L271-V274 PolarHBondContact O-N 3.23Å; L271-V274 VanDerWaalsContact O-N 3.14Å; V274-S276 PolarHBondContact O-N 2.91Å; V274-A277 PolarHBondContact O-N 2.9Å; V274-A277 VanDerWaalsContact O-N 3.15Å; V274-N278 HydrophobicContact CG1-CB 4.45Å; V274-N278 PolarHBondContact O-N 3.17Å; V274-N278 PolarHBondContact O-ND2 2.85Å; V274-N278 VanDerWaalsContact O-ND2 3.07Å; V274-S281 WeakPolarHBondContact CG1-OG 3.14Å
275L97.7Very high96.8Very high1 Ų153 Ų531%0.00529%0.289CS..Hα-helixtrans-65.4-21.5176.8-70.2169.5000113.3L271 K272 A277 N278 I298 R300 F303L271-L275 HydrophobicContact CD1-CD1 4.29Å; L271-L275 HydrophobicContact CD1-CG 4.29Å; L271-L275 HydrophobicContact CG-CD1 3.94Å; L271-L275 HydrophobicContact CG-CG 4.38Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.31Å; L271-L275 WeakPolarHBondContact O-CG 3.16Å; L271-L275 PolarHBondContact O-N 3.32Å; K272-L275 PolarHBondContact O-N 2.87Å; L275-A277 VanDerWaalsContact C-N 3.26Å; L275-A277 PolarHBondContact O-N 3.32Å; L275-N278 CarbonylContact C-O 3.37Å; L275-N278 WeakPolarHBondContact CA-O 3.48Å; L275-I298 HydrophobicContact CD1-CG2 3.73Å; L275-I298 HydrophobicContact CD2-CG2 4.37Å; L275-R300 PolarHBondContact O-NE 2.87Å; L275-R300 PolarHBondContact O-NH2 2.85Å; L275-F303 HydrophobicContact CB-CD1 4.49Å; L275-F303 HydrophobicContact CD1-CB 4.05Å; L275-F303 HydrophobicContact CD1-CD1 4.07Å; L275-F303 HydrophobicContact CD1-CG 4.05Å
276S96.1Very high96.9Very high28 Ų2855.7 Ų55.720%0.19630%0.304CS..Hα-helixtrans-67.2-29.2174.3-590000112.1K272 K273 V274 R300 R343K272-S276 PolarHBondContact O-N 3.36Å; K272-S276 VanDerWaalsContact O-N 3.09Å; K272-S276 PolarHBondContact O-OG 2.75Å; K273-S276 WeakPolarHBondContact O-CB 3.45Å; K273-S276 PolarHBondContact O-N 2.95Å; V274-S276 PolarHBondContact O-N 2.91Å; S276-R300 PolarHBondContact O-NH2 3.46Å; S276-R343 WeakPolarHBondContact CB-O 3.33Å
277A96.1Very high97Very high79 Ų7955.2 Ų55.265%0.65330%0.304SS*.Hα-helixtrans-95.3-47.3172.600000112.3V274 L275 R300V274-A277 PolarHBondContact O-N 2.9Å; V274-A277 VanDerWaalsContact O-N 3.15Å; L275-A277 VanDerWaalsContact C-N 3.26Å; L275-A277 PolarHBondContact O-N 3.32Å; A277-R300 PolarHBondContact O-NH2 2.83Å
278N97.7Very high97Very high78 Ų7854.7 Ų54.742%0.41730%0.298SS..SBendtrans-99.6149.6-169.6-58.8-79.4000112.8V274 L275 E280 R300V274-N278 HydrophobicContact CG1-CB 4.45Å; V274-N278 PolarHBondContact O-N 3.17Å; V274-N278 PolarHBondContact O-ND2 2.85Å; V274-N278 VanDerWaalsContact O-ND2 3.07Å; L275-N278 CarbonylContact C-O 3.37Å; L275-N278 WeakPolarHBondContact CA-O 3.48Å; N278-E280 PolarHBondContact O-N 3.37Å; N278-R300 PolarHBondContact O-NE 3.2Å; N278-R300 PolarHBondContact O-NH2 3.25Å
279P97.6Very high96.8Very high89 Ų8955.9 Ų55.958%0.57830%0.304SS*.SBendtrans-72.9-15.6-179.630.6-35.9000113.6R300P279-R300 WeakPolarHBondContact O-CB 3.34Å; P279-R300 PolarHBondContact O-N 3.4Å
280E97.3Very high96.7Very high79 Ų7958.8 Ų58.837%0.36932%0.321SS..EExtended strand (participates in β ladder)trans-157.2162.3177.458.8-172.5-132.700110.2N278 F297 K299N278-E280 PolarHBondContact O-N 3.37Å; E280-F297 HydrophobicContact CB-CE2 4.26Å; E280-F297 HydrophobicContact CB-CZ 3.91Å; E280-F297 HydrophobicContact CG-CE2 4.3Å; E280-F297 HydrophobicContact CG-CZ 4.09Å; E280-K299 HydrophobicContact CB-CB 4.36Å; E280-K299 HydrophobicContact CB-CG 3.99Å; E280-K299 WeakPolarHBondContact OE2-CE 3.21Å; E280-K299 IonicContact OE2-NZ 4Å; E280-K299 PolarHBondContact OE2-NZ 3.23Å
281S97.1Very high96.6Very high12 Ų1260.2 Ų60.28%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-157.4141.5175.4179.20000112.1L271 V274 I298L271-S281 VanDerWaalsContact CD1-CB 3.44Å; L271-S281 WeakPolarHBondContact CD1-OG 3.01Å; V274-S281 WeakPolarHBondContact CG1-OG 3.14Å; S281-I298 PolarHBondContact N-O 2.86Å; S281-I298 VanDerWaalsContact N-O 3.1Å; S281-I298 PolarHBondContact O-N 2.81Å
282P96.7Very high96.5Very high93 Ų9363.3 Ų63.360%0.60434%0.343SS*.EExtended strand (participates in β ladder)trans-72.5165.3163.633.4-35.2000111.4G296P282-G296 CarbonylContact C-O 3.57Å; P282-G296 WeakPolarHBondContact CA-O 3.36Å
283M96.4Very high96.5Very high12 Ų1265.9 Ų65.96%0.05936%0.357CS..EExtended strand (participates in β ladder)trans-129140.2164176.4-169.9-69.200107.6F242 F246 L264 A267 L271 I285 R295 G296F242-M283 HydrophobicContact CD2-CE 3.72Å; F242-M283 HydrophobicContact CD2-SD 4.46Å; F242-M283 HydrophobicContact CE2-CE 3.95Å; F242-M283 HydrophobicContact CG-CE 4.19Å; F242-M283 HydrophobicContact CG-SD 4.36Å; F246-M283 HydrophobicContact CE2-SD 4.3Å; F246-M283 HydrophobicContact CZ-SD 4.27Å; L264-M283 HydrophobicContact CD1-CE 4.25Å; L264-M283 HydrophobicContact CD1-SD 3.76Å; A267-M283 HydrophobicContact CB-CE 3.96Å; A267-M283 HydrophobicContact CB-CG 4.14Å; A267-M283 HydrophobicContact CB-SD 3.9Å; L271-M283 HydrophobicContact CB-CE 4.29Å; L271-M283 HydrophobicContact CD2-CB 4.46Å; L271-M283 HydrophobicContact CD2-CE 3.63Å; M283-I285 HydrophobicContact CG-CD1 4.43Å; M283-I285 HydrophobicContact CG-CG1 4.14Å; M283-I285 HydrophobicContact SD-CD1 3.87Å; M283-I285 HydrophobicContact SD-CG1 4.23Å; M283-R295 CarbonylContact O-C 3.56Å; M283-R295 WeakPolarHBondContact O-CA 3.39Å; M283-G296 PolarHBondContact N-O 3.17Å; M283-G296 PolarHBondContact O-N 2.98Å
284H96.9Very high96.6Very high97 Ų9760.3 Ų60.345%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-136.1132.5172.8-168.8-77.5000108.4E286 R295H284-E286 WeakPolarHBondContact CE1-CG 3.34Å; H284-E286 IonicContact CE1-OE1 2.67Å; H284-E286 PolarHBondContact CE1-OE1 3.22Å; H284-E286 IonicContact ND1-OE1 2.97Å; H284-R295 PolarHBondContact CD2-NE 3.33Å; H284-R295 PolarHBondContact NE2-NE 3.09Å; H284-R295 VanDerWaalsContact NE2-NE 3.15Å; H284-R295 PolarHBondContact NE2-NH2 2.77Å
285I97.2Very high96.6Very high12 Ų1265 Ų656%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-139.2114.7174.7-42.4173.7000108.8L264 A267 M283 L288 D293 V294L264-I285 HydrophobicContact CB-CD1 4.46Å; L264-I285 HydrophobicContact CD1-CD1 3.75Å; A267-I285 HydrophobicContact CB-CD1 3.46Å; A267-I285 VanDerWaalsContact CB-CD1 3.46Å; A267-I285 HydrophobicContact CB-CG1 3.86Å; M283-I285 HydrophobicContact CG-CD1 4.43Å; M283-I285 HydrophobicContact CG-CG1 4.14Å; M283-I285 HydrophobicContact SD-CD1 3.87Å; M283-I285 HydrophobicContact SD-CG1 4.23Å; I285-L288 HydrophobicContact CB-CB 4.42Å; I285-L288 HydrophobicContact CD1-CD1 4.34Å; I285-L288 HydrophobicContact CD1-CD2 4.31Å; I285-L288 HydrophobicContact CG2-CB 4.21Å; I285-L288 HydrophobicContact CG2-CD1 4.12Å; I285-D293 WeakPolarHBondContact O-CA 3.15Å; I285-V294 HydrophobicContact CB-CG2 3.85Å; I285-V294 HydrophobicContact CD1-CG2 4.29Å; I285-V294 HydrophobicContact CG1-CG2 4.2Å; I285-V294 PolarHBondContact N-O 2.94Å; I285-V294 PolarHBondContact O-N 3.14Å
286E96.9Very high96.5Very high120 Ų12065.3 Ų65.356%0.56135%0.348SS*.EExtended strand (participates in β ladder)trans-75.1138-179.9-69.6158.1-169.300111.6R263 H284 L288 D293R263-E286 PolarHBondContact NH1-O 3.49Å; R263-E286 VanDerWaalsContact NH1-O 3.16Å; R263-E286 PolarHBondContact NH2-O 3.19Å; H284-E286 WeakPolarHBondContact CE1-CG 3.34Å; H284-E286 IonicContact CE1-OE1 2.67Å; H284-E286 PolarHBondContact CE1-OE1 3.22Å; H284-E286 IonicContact ND1-OE1 2.97Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 2.88Å; E286-L288 VanDerWaalsContact O-N 3.15Å; E286-D293 WeakPolarHBondContact CA-OD1 3.36Å
287C95.9Very high96.6Very high70 Ų7068 Ų6847%0.47336%0.357SS..EExtended strand (participates in β ladder)trans38.754.1-178.8-56.90000113.1R263 M289 K292 D293R263-C287 PolarHBondContact NH1-O 3.33Å; C287-M289 PolarHBondContact O-N 3.48Å; C287-K292 CarbonylContact C-O 3.59Å; C287-K292 WeakPolarHBondContact CA-O 3.47Å; C287-D293 PolarHBondContact N-OD1 3.06Å
288L96.3Very high96.7Very high7 Ų764.2 Ų64.24%0.03733%0.325CS..EExtended strand (participates in β ladder)trans-61.5-46-174.7173.360.8000111.4F246 I252 V254 A260 R263 I285 E286 K292 V294F246-L288 HydrophobicContact CD2-CD2 4.06Å; F246-L288 HydrophobicContact CE2-CD2 4.4Å; I252-L288 HydrophobicContact CD1-CB 4.48Å; I252-L288 HydrophobicContact CD1-CD2 3.95Å; I252-L288 HydrophobicContact CD1-CG 4.27Å; V254-L288 HydrophobicContact CG1-CD2 3.94Å; V254-L288 HydrophobicContact CG1-CG 4.43Å; A260-L288 HydrophobicContact CB-CD1 4.02Å; A260-L288 HydrophobicContact CB-CG 4.33Å; A260-L288 WeakPolarHBondContact CB-O 3.22Å; A260-L288 WeakPolarHBondContact O-CD1 3.32Å; R263-L288 HydrophobicContact CB-CD1 4.01Å; I285-L288 HydrophobicContact CB-CB 4.42Å; I285-L288 HydrophobicContact CD1-CD1 4.34Å; I285-L288 HydrophobicContact CD1-CD2 4.31Å; I285-L288 HydrophobicContact CG2-CB 4.21Å; I285-L288 HydrophobicContact CG2-CD1 4.12Å; E286-L288 VanDerWaalsContact C-N 3.29Å; E286-L288 PolarHBondContact O-N 2.88Å; E286-L288 VanDerWaalsContact O-N 3.15Å; L288-K292 PolarHBondContact N-O 3.47Å; L288-V294 HydrophobicContact CB-CG1 4.42Å; L288-V294 HydrophobicContact CB-CG2 4.01Å; L288-V294 HydrophobicContact CD2-CG1 4.23Å; L288-V294 HydrophobicContact CD2-CG2 3.58Å; L288-V294 HydrophobicContact CG-CG2 4.43Å
289M94.8Very high96.7Very high26 Ų2664.6 Ų64.613%0.12832%0.323CS..EExtended strand (participates in β ladder)trans-158.4147.7178.3-178.1165.8168.900108.2I252 N257 A260 C287 E291 K292I252-M289 HydrophobicContact CB-CB 4.23Å; I252-M289 HydrophobicContact CB-CG 4.32Å; I252-M289 HydrophobicContact CB-SD 4.28Å; I252-M289 HydrophobicContact CD1-CB 4.06Å; I252-M289 HydrophobicContact CG2-CB 4.23Å; I252-M289 HydrophobicContact CG2-CG 4.33Å; N257-M289 HydrophobicContact CB-CE 4.42Å; N257-M289 HydrophobicContact CB-SD 3.92Å; A260-M289 HydrophobicContact CB-CB 4.19Å; A260-M289 HydrophobicContact CB-SD 4.44Å; C287-M289 PolarHBondContact O-N 3.48Å; M289-E291 PolarHBondContact O-N 3.44Å; M289-K292 PolarHBondContact O-N 3.38Å
290D94.1Very high96.7Very high97 Ų9763 Ų6352%0.51931%0.306SS..THydrogen-bonded Turntrans5042.3178.5-45.1-24.2000113.7I252 K292I252-D290 HydrophobicContact CG2-CB 4.39Å; D290-K292 HydrophobicContact CB-CD 4.33Å; D290-K292 PolarHBondContact O-N 2.94Å
291E94.9Very high96.8Very high179 Ų17966.6 Ų66.684%0.83632%0.323SS*.THydrogen-bonded Turntrans59.33.8-176.9-58.7-176161.100116M289M289-E291 PolarHBondContact O-N 3.44Å
292K95.7Very high96.8Very high71 Ų7170 Ų7031%0.30934%0.337SS..EExtended strand (participates in β ladder)trans-83.1128.3-177.5-65.5151.9-174.6175.10112.6Y250 K251 I252 C287 L288 M289 D290Y250-K292 WeakPolarHBondContact O-CD 3.47Å; Y250-K292 WeakPolarHBondContact O-CE 3.36Å; Y250-K292 PolarHBondContact O-NZ 3.09Å; K251-K292 PolarHBondContact O-NZ 3.28Å; I252-K292 HydrophobicContact CG2-CD 3.49Å; I252-K292 VanDerWaalsContact CG2-CD 3.49Å; C287-K292 CarbonylContact C-O 3.59Å; C287-K292 WeakPolarHBondContact CA-O 3.47Å; L288-K292 PolarHBondContact N-O 3.47Å; M289-K292 PolarHBondContact O-N 3.38Å; D290-K292 HydrophobicContact CB-CD 4.33Å; D290-K292 PolarHBondContact O-N 2.94Å
293D97.5Very high96.9Very high67 Ų6765.7 Ų65.736%0.35831%0.309SS..EExtended strand (participates in β ladder)trans-71.7137.2160.4-63.1-15000110.1Y250 I285 E286 C287Y250-D293 WeakPolarHBondContact CD1-O 3.34Å; Y250-D293 WeakPolarHBondContact CE1-O 3.39Å; I285-D293 WeakPolarHBondContact O-CA 3.15Å; E286-D293 WeakPolarHBondContact CA-OD1 3.36Å; C287-D293 PolarHBondContact N-OD1 3.06Å
294V97.8Very high96.9Very high0 Ų067.6 Ų67.60%032%0.318CS..EExtended strand (participates in β ladder)trans-116.9145174.7-61.70000112.2F246 Y250 I252 I285 L288F246-V294 HydrophobicContact CB-CG1 4.46Å; F246-V294 HydrophobicContact CD1-CB 4.08Å; F246-V294 HydrophobicContact CD1-CG1 4.33Å; F246-V294 HydrophobicContact CD2-CB 4.09Å; F246-V294 HydrophobicContact CD2-CG1 4.22Å; F246-V294 HydrophobicContact CD2-CG2 3.93Å; F246-V294 HydrophobicContact CE1-CB 3.95Å; F246-V294 HydrophobicContact CE1-CG2 4.38Å; F246-V294 HydrophobicContact CE2-CB 3.95Å; F246-V294 HydrophobicContact CE2-CG2 3.54Å; F246-V294 HydrophobicContact CG-CB 4.16Å; F246-V294 HydrophobicContact CG-CG1 4.09Å; F246-V294 HydrophobicContact CZ-CB 3.89Å; F246-V294 HydrophobicContact CZ-CG2 3.8Å; Y250-V294 HydrophobicContact CD1-CG1 3.99Å; Y250-V294 HydrophobicContact CD2-CB 4.33Å; Y250-V294 HydrophobicContact CD2-CG1 3.9Å; Y250-V294 HydrophobicContact CE1-CG1 4.3Å; Y250-V294 HydrophobicContact CE2-CB 4.18Å; Y250-V294 HydrophobicContact CE2-CG1 4.23Å; Y250-V294 HydrophobicContact CG-CG1 3.77Å; I252-V294 HydrophobicContact CD1-CG1 3.75Å; I285-V294 HydrophobicContact CB-CG2 3.85Å; I285-V294 HydrophobicContact CD1-CG2 4.29Å; I285-V294 HydrophobicContact CG1-CG2 4.2Å; I285-V294 PolarHBondContact N-O 2.94Å; I285-V294 PolarHBondContact O-N 3.14Å; L288-V294 HydrophobicContact CB-CG1 4.42Å; L288-V294 HydrophobicContact CB-CG2 4.01Å; L288-V294 HydrophobicContact CD2-CG1 4.23Å; L288-V294 HydrophobicContact CD2-CG2 3.58Å; L288-V294 HydrophobicContact CG-CG2 4.43Å
295R97.5Very high97Very high149 Ų14971 Ų7156%0.56233%0.331SS*.EExtended strand (participates in β ladder)trans-125.9116.9178.4-59-170.6-178.8178.31.9109.7Y250 M283 H284Y250-R295 PolarHBondContact OH-N 2.79Å; M283-R295 CarbonylContact O-C 3.56Å; M283-R295 WeakPolarHBondContact O-CA 3.39Å; H284-R295 PolarHBondContact CD2-NE 3.33Å; H284-R295 PolarHBondContact NE2-NE 3.09Å; H284-R295 VanDerWaalsContact NE2-NE 3.15Å; H284-R295 PolarHBondContact NE2-NH2 2.77Å
296G96.6Very high97Very high6 Ų672.8 Ų72.86%0.06234%0.341CS..EExtended strand (participates in β ladder)trans-103.3162.2172.400000111.4F242 P282 M283F242-G296 VanDerWaalsContact CE1-CA 3.5Å; P282-G296 CarbonylContact C-O 3.57Å; P282-G296 WeakPolarHBondContact CA-O 3.36Å; M283-G296 PolarHBondContact N-O 3.17Å; M283-G296 PolarHBondContact O-N 2.98Å
297F97.7Very high97.1Very high84 Ų8467.1 Ų67.137%0.36831%0.314SS..EExtended strand (participates in β ladder)trans-157139.2169.2177.2-89.6000107.3E280 K299E280-F297 HydrophobicContact CB-CE2 4.26Å; E280-F297 HydrophobicContact CB-CZ 3.91Å; E280-F297 HydrophobicContact CG-CE2 4.3Å; E280-F297 HydrophobicContact CG-CZ 4.09Å; F297-K299 HydrophobicContact CE1-CG 4.03Å; F297-K299 HydrophobicContact CZ-CG 4.41Å
298I98.3Very high97.2Very high0 Ų065.6 Ų65.60%031%0.306CS..EExtended strand (participates in β ladder)trans-151149.7175.2-162.4171.1000109.7L238 F242 L271 L275 S281 E302 F303 I306L238-I298 HydrophobicContact CD2-CD1 3.92Å; L238-I298 HydrophobicContact CD2-CG2 4.41Å; F242-I298 HydrophobicContact CE2-CG2 4.4Å; F242-I298 HydrophobicContact CZ-CB 4.04Å; F242-I298 HydrophobicContact CZ-CG2 4.21Å; L271-I298 HydrophobicContact CD1-CG2 4.47Å; L271-I298 HydrophobicContact CD2-CG2 3.87Å; L271-I298 HydrophobicContact CG-CG2 4.37Å; L275-I298 HydrophobicContact CD1-CG2 3.73Å; L275-I298 HydrophobicContact CD2-CG2 4.37Å; S281-I298 PolarHBondContact N-O 2.86Å; S281-I298 VanDerWaalsContact N-O 3.1Å; S281-I298 PolarHBondContact O-N 2.81Å; I298-E302 HydrophobicContact CD1-CB 4.47Å; I298-E302 HydrophobicContact CD1-CG 4.17Å; I298-E302 HydrophobicContact CG1-CB 3.9Å; I298-E302 HydrophobicContact CG1-CG 3.9Å; I298-F303 HydrophobicContact CD1-CB 4.16Å; I298-I306 HydrophobicContact CD1-CD1 3.91Å
299K98.4Very high97.2Very high86 Ų8669 Ų6937%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-93.8154.2171.2-59.8-170.1178.7-105.60110.8E280 F297 E301 E302 F303E280-K299 HydrophobicContact CB-CB 4.36Å; E280-K299 HydrophobicContact CB-CG 3.99Å; E280-K299 WeakPolarHBondContact OE2-CE 3.21Å; E280-K299 IonicContact OE2-NZ 4Å; E280-K299 PolarHBondContact OE2-NZ 3.23Å; F297-K299 HydrophobicContact CE1-CG 4.03Å; F297-K299 HydrophobicContact CZ-CG 4.41Å; K299-E301 VanDerWaalsContact C-N 3.26Å; K299-E301 PolarHBondContact O-N 3.2Å; K299-E302 HydrophobicContact CB-CB 4.5Å; K299-E302 PolarHBondContact O-N 2.9Å; K299-E302 VanDerWaalsContact O-N 3.09Å; K299-F303 PolarHBondContact O-N 3.01Å
300R98Very high97.3Very high57 Ų5768.1 Ų68.122%0.21533%0.327CS..Hα-helixtrans-55-44173.9-178.9-173.5-64.1164.2-1.3111.1L275 S276 A277 N278 P279 E302 F303 E304L275-R300 PolarHBondContact O-NE 2.87Å; L275-R300 PolarHBondContact O-NH2 2.85Å; S276-R300 PolarHBondContact O-NH2 3.46Å; A277-R300 PolarHBondContact O-NH2 2.83Å; N278-R300 PolarHBondContact O-NE 3.2Å; N278-R300 PolarHBondContact O-NH2 3.25Å; P279-R300 WeakPolarHBondContact O-CB 3.34Å; P279-R300 PolarHBondContact O-N 3.4Å; R300-E302 VanDerWaalsContact C-N 3.27Å; R300-E302 PolarHBondContact O-N 2.97Å; R300-F303 PolarHBondContact O-N 3.43Å; R300-E304 WeakPolarHBondContact CD-OE1 3.29Å; R300-E304 HydrophobicContact CG-CG 4.23Å; R300-E304 WeakPolarHBondContact CG-OE1 3.35Å; R300-E304 WeakPolarHBondContact O-CB 3.33Å; R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 2.9Å
301E97.7Very high97.4Very high154 Ų15464.6 Ų64.672%0.7231%0.308SS*.Hα-helixtrans-58.3-38.5177.5-60173.9165.100112.4K299 K305K299-E301 VanDerWaalsContact C-N 3.26Å; K299-E301 PolarHBondContact O-N 3.2Å; E301-K305 VanDerWaalsContact O-CB 3.23Å; E301-K305 WeakPolarHBondContact O-CB 3.39Å; E301-K305 PolarHBondContact O-N 3.11Å
302E97.9Very high97.5Very high82 Ų8263 Ų6338%0.38330%0.3SS..Hα-helixtrans-74.3-42177.1-175176.9-170.900111.5H241 I298 K299 R300 K305 I306H241-E302 IonicContact CE1-OE1 2.67Å; H241-E302 PolarHBondContact CE1-OE1 2.77Å; I298-E302 HydrophobicContact CD1-CB 4.47Å; I298-E302 HydrophobicContact CD1-CG 4.17Å; I298-E302 HydrophobicContact CG1-CB 3.9Å; I298-E302 HydrophobicContact CG1-CG 3.9Å; K299-E302 HydrophobicContact CB-CB 4.5Å; K299-E302 PolarHBondContact O-N 2.9Å; K299-E302 VanDerWaalsContact O-N 3.09Å; R300-E302 VanDerWaalsContact C-N 3.27Å; R300-E302 PolarHBondContact O-N 2.97Å; E302-K305 WeakPolarHBondContact O-CB 3.1Å; E302-K305 PolarHBondContact O-N 2.93Å; E302-I306 WeakPolarHBondContact O-CG1 3.42Å; E302-I306 PolarHBondContact O-N 2.8Å
303F98.3Very high97.6Very high3 Ų363.7 Ų63.71%0.01330%0.301CS..Hα-helixtrans-59.6-44.7173.1164.9-122.9000112.4F234 L238 K272 L275 I298 K299 R300 I306 S307 V344F234-F303 HydrophobicContact CB-CE2 4.03Å; F234-F303 HydrophobicContact CB-CZ 3.93Å; F234-F303 HydrophobicContact CD1-CE2 4.06Å; F234-F303 AromaticContact CD1-CZ 3.74Å; F234-F303 HydrophobicContact CD1-CZ 3.74Å; F234-F303 HydrophobicContact CG-CZ 4.17Å; L238-F303 HydrophobicContact CD1-CD2 4Å; L238-F303 HydrophobicContact CD1-CE2 3.8Å; L238-F303 HydrophobicContact CD1-CZ 4.49Å; L238-F303 HydrophobicContact CD2-CB 4.48Å; L238-F303 HydrophobicContact CD2-CD2 3.6Å; L238-F303 HydrophobicContact CD2-CE2 4.23Å; L238-F303 HydrophobicContact CD2-CG 4.29Å; L238-F303 HydrophobicContact CG-CD2 3.71Å; L238-F303 HydrophobicContact CG-CE2 3.82Å; K272-F303 HydrophobicContact CG-CZ 4.14Å; L275-F303 HydrophobicContact CB-CD1 4.49Å; L275-F303 HydrophobicContact CD1-CB 4.05Å; L275-F303 HydrophobicContact CD1-CD1 4.07Å; L275-F303 HydrophobicContact CD1-CG 4.05Å; I298-F303 HydrophobicContact CD1-CB 4.16Å; K299-F303 PolarHBondContact O-N 3.01Å; R300-F303 PolarHBondContact O-N 3.43Å; F303-I306 VanDerWaalsContact O-CG1 3.25Å; F303-I306 WeakPolarHBondContact O-CG1 3.4Å; F303-S307 WeakPolarHBondContact CE2-OG 3.3Å; F303-S307 VanDerWaalsContact O-CB 3.27Å; F303-S307 WeakPolarHBondContact O-CB 3.43Å; F303-S307 PolarHBondContact O-N 3.18Å; F303-S307 VanDerWaalsContact O-N 3.08Å; F303-S307 PolarHBondContact O-OG 3.04Å; F303-V344 HydrophobicContact CE1-CG1 4.18Å
304E97.6Very high97.7Very high52 Ų5260.5 Ų60.524%0.24328%0.284CS..Hα-helixtrans-65.1-41.4175.4-71.7177.8-176.700111R300 S307 A308 L311 A346R300-E304 WeakPolarHBondContact CD-OE1 3.29Å; R300-E304 HydrophobicContact CG-CG 4.23Å; R300-E304 WeakPolarHBondContact CG-OE1 3.35Å; R300-E304 WeakPolarHBondContact O-CB 3.33Å; R300-E304 WeakPolarHBondContact O-CG 3.42Å; R300-E304 PolarHBondContact O-N 2.9Å; E304-S307 CarbonylContact O-C 3.6Å; E304-S307 PolarHBondContact O-N 3.17Å; E304-A308 PolarHBondContact O-N 3.49Å; E304-L311 HydrophobicContact CB-CD1 4.44Å; E304-A346 HydrophobicContact CG-CB 3.93Å
305K98Very high97.6Very high168 Ų16865 Ų6573%0.7330%0.304SS*.Hα-helixtrans-61.7-44.6175.9-178.6-177.8178.5-1760113.3E301 E302 S307E301-K305 VanDerWaalsContact O-CB 3.23Å; E301-K305 WeakPolarHBondContact O-CB 3.39Å; E301-K305 PolarHBondContact O-N 3.11Å; E302-K305 WeakPolarHBondContact O-CB 3.1Å; E302-K305 PolarHBondContact O-N 2.93Å; K305-S307 VanDerWaalsContact C-N 3.26Å; K305-S307 PolarHBondContact O-N 3.35Å
306I97.9Very high97.6Very high51 Ų5159.8 Ų59.826%0.26230%0.295SS..Hα-helixtrans-70.3-25.6176.263.8179.9000111.9V237 L238 H241 I298 E302 F303 A308V237-I306 HydrophobicContact CB-CG1 4.47Å; V237-I306 HydrophobicContact CG1-CB 3.75Å; V237-I306 HydrophobicContact CG1-CD1 3.86Å; V237-I306 HydrophobicContact CG1-CG1 3.62Å; V237-I306 WeakPolarHBondContact CG1-O 3.04Å; L238-I306 HydrophobicContact CD2-CD1 4.5Å; H241-I306 HydrophobicContact CB-CD1 4.01Å; I298-I306 HydrophobicContact CD1-CD1 3.91Å; E302-I306 WeakPolarHBondContact O-CG1 3.42Å; E302-I306 PolarHBondContact O-N 2.8Å; F303-I306 VanDerWaalsContact O-CG1 3.25Å; F303-I306 WeakPolarHBondContact O-CG1 3.4Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 3.46Å
307S98.1Very high97.6Very high0 Ų059.8 Ų59.80%029%0.294CS..THydrogen-bonded Turntrans-85.67.3179.9-54.50000114.7F303 E304 K305 S309 I310 L311F303-S307 WeakPolarHBondContact CE2-OG 3.3Å; F303-S307 VanDerWaalsContact O-CB 3.27Å; F303-S307 WeakPolarHBondContact O-CB 3.43Å; F303-S307 PolarHBondContact O-N 3.18Å; F303-S307 VanDerWaalsContact O-N 3.08Å; F303-S307 PolarHBondContact O-OG 3.04Å; E304-S307 CarbonylContact O-C 3.6Å; E304-S307 PolarHBondContact O-N 3.17Å; K305-S307 VanDerWaalsContact C-N 3.26Å; K305-S307 PolarHBondContact O-N 3.35Å; S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.88Å; S307-I310 WeakPolarHBondContact O-CB 3.47Å; S307-I310 PolarHBondContact O-N 3.15Å; S307-L311 PolarHBondContact O-N 2.71Å; S307-L311 VanDerWaalsContact O-N 3.14Å
308A97.6Very high97.6Very high38 Ų3855.8 Ų55.831%0.31428%0.277SS..Hα-helixtrans-50.8-44.7-173.400000114E304 I306 I310 L311 E312E304-A308 PolarHBondContact O-N 3.49Å; I306-A308 VanDerWaalsContact C-N 3.32Å; I306-A308 PolarHBondContact O-N 3.46Å; A308-I310 PolarHBondContact O-N 2.62Å; A308-I310 VanDerWaalsContact O-N 3.15Å; A308-L311 PolarHBondContact O-N 2.82Å; A308-L311 VanDerWaalsContact O-N 3.08Å; A308-E312 WeakPolarHBondContact O-CB 3.43Å; A308-E312 VanDerWaalsContact O-CG 3.31Å; A308-E312 WeakPolarHBondContact O-CG 3.28Å; A308-E312 PolarHBondContact O-N 3.46Å
309S96.2Very high97.6Very high79 Ų7960.7 Ų60.755%0.55230%0.3SS*.Hα-helixtrans-70.1-7.3-179.858.30000115.3S307 R313S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.88Å; S309-R313 PolarHBondContact O-NE 3.29Å; S309-R313 VanDerWaalsContact O-NE 3.14Å
310I96.8Very high97.5Very high8 Ų860.6 Ų60.64%0.04130%0.299CS..Hα-helixtrans-93.3-46.5167.7-54.6170.2000108.9L229 D233 F234 V237 S307 A308 E312 R313L229-I310 HydrophobicContact CD2-CG2 3.84Å; L229-I310 HydrophobicContact CG-CG2 3.97Å; D233-I310 HydrophobicContact CB-CD1 3.79Å; D233-I310 HydrophobicContact CB-CG1 4.38Å; D233-I310 VanDerWaalsContact O-CD1 3.31Å; D233-I310 WeakPolarHBondContact O-CD1 3.39Å; F234-I310 HydrophobicContact CD1-CD1 4.24Å; F234-I310 HydrophobicContact CD2-CG2 4.44Å; F234-I310 HydrophobicContact CE1-CB 4.32Å; F234-I310 HydrophobicContact CE1-CG2 4.11Å; F234-I310 HydrophobicContact CE2-CG2 3.79Å; F234-I310 HydrophobicContact CG-CD1 4.34Å; F234-I310 HydrophobicContact CZ-CB 4.29Å; F234-I310 HydrophobicContact CZ-CG2 3.61Å; V237-I310 HydrophobicContact CG2-CD1 3.51Å; S307-I310 WeakPolarHBondContact O-CB 3.47Å; S307-I310 PolarHBondContact O-N 3.15Å; A308-I310 PolarHBondContact O-N 2.62Å; A308-I310 VanDerWaalsContact O-N 3.15Å; I310-E312 PolarHBondContact O-N 3.26Å; I310-R313 PolarHBondContact O-N 3.46Å; I310-R313 VanDerWaalsContact O-N 3.16Å
311L97.4Very high97.5Very high22 Ų2257.9 Ų57.912%0.11529%0.289CS..Hα-helixtrans-62.4-38.6-178.8-65.9174.1000112.7F234 E304 S307 A308 R313 V314 A346 I347 I350F234-L311 HydrophobicContact CE1-CD2 3.94Å; F234-L311 HydrophobicContact CE1-CG 4.3Å; F234-L311 HydrophobicContact CZ-CD2 4.01Å; E304-L311 HydrophobicContact CB-CD1 4.44Å; S307-L311 PolarHBondContact O-N 2.71Å; S307-L311 VanDerWaalsContact O-N 3.14Å; A308-L311 PolarHBondContact O-N 2.82Å; A308-L311 VanDerWaalsContact O-N 3.08Å; L311-R313 PolarHBondContact O-N 3.34Å; L311-V314 WeakPolarHBondContact O-CB 3.45Å; L311-V314 WeakPolarHBondContact O-CG2 3.44Å; L311-V314 PolarHBondContact O-N 2.85Å; L311-A346 HydrophobicContact CD1-CB 3.84Å; L311-A346 HydrophobicContact CD2-CB 3.66Å; L311-A346 HydrophobicContact CG-CB 4.43Å; L311-I347 HydrophobicContact CD2-CG1 4.28Å; L311-I350 HydrophobicContact CB-CD1 3.94Å; L311-I350 HydrophobicContact CD2-CD1 3.98Å
312E97.3Very high97.5Very high146 Ų14651.1 Ų51.168%0.68226%0.258SS*.G310 helixtrans-58.6-33.8175-75.4165.7-177.400112.8A308 I310 V314A308-E312 WeakPolarHBondContact O-CB 3.43Å; A308-E312 VanDerWaalsContact O-CG 3.31Å; A308-E312 WeakPolarHBondContact O-CG 3.28Å; A308-E312 PolarHBondContact O-N 3.46Å; I310-E312 PolarHBondContact O-N 3.26Å; E312-V314 VanDerWaalsContact C-N 3.35Å; E312-V314 PolarHBondContact O-N 3.14Å
313R97.4Very high97.5Very high85 Ų8551 Ų5132%0.32127%0.271SS..G310 helixtrans-77.7-17.1-178.1-65.8-172.8-68.7130.5-6.6114D226 S228 L229 S309 I310 L311 K315 G316 P317D226-R313 VanDerWaalsContact CG-NH1 3.28Å; D226-R313 IonicContact OD1-NH1 2.35Å; D226-R313 PolarHBondContact OD1-NH1 3.16Å; D226-R313 IonicContact OD2-CZ 2.66Å; D226-R313 IonicContact OD2-NH1 2.7Å; D226-R313 PolarHBondContact OD2-NH1 3.44Å; S228-R313 VanDerWaalsContact O-CZ 3.29Å; S228-R313 PolarHBondContact O-NH1 3.03Å; S228-R313 PolarHBondContact O-NH2 3.19Å; L229-R313 HydrophobicContact CD1-CB 3.73Å; S309-R313 PolarHBondContact O-NE 3.29Å; S309-R313 VanDerWaalsContact O-NE 3.14Å; I310-R313 PolarHBondContact O-N 3.46Å; I310-R313 VanDerWaalsContact O-N 3.16Å; L311-R313 PolarHBondContact O-N 3.34Å; R313-K315 PolarHBondContact O-N 3.08Å; R313-K315 VanDerWaalsContact O-N 3.13Å; R313-G316 PolarHBondContact O-N 3.26Å; R313-P317 WeakPolarHBondContact O-CD 3.44Å
314V98.2Very high97.3Very high0 Ų054.1 Ų54.10%029%0.286CS..G310 helixtrans-57.9-30-176.8175.90000112.3M206 L229 L311 E312 L318 I350M206-V314 HydrophobicContact CE-CG1 3.91Å; M206-V314 WeakPolarHBondContact CE-O 3.37Å; M206-V314 HydrophobicContact SD-CB 4.48Å; M206-V314 HydrophobicContact SD-CG1 4.14Å; L229-V314 HydrophobicContact CD1-CG2 4.09Å; L229-V314 HydrophobicContact CD2-CG2 4.19Å; L311-V314 WeakPolarHBondContact O-CB 3.45Å; L311-V314 WeakPolarHBondContact O-CG2 3.44Å; L311-V314 PolarHBondContact O-N 2.85Å; E312-V314 VanDerWaalsContact C-N 3.35Å; E312-V314 PolarHBondContact O-N 3.14Å; V314-L318 HydrophobicContact CG1-CD1 4.39Å; V314-L318 WeakPolarHBondContact O-CD1 3.42Å; V314-L318 WeakPolarHBondContact O-CG 3.4Å; V314-I350 HydrophobicContact CB-CD1 4.38Å; V314-I350 HydrophobicContact CB-CG2 4.14Å; V314-I350 HydrophobicContact CG1-CB 4.39Å; V314-I350 HydrophobicContact CG1-CG2 3.74Å; V314-I350 HydrophobicContact CG2-CD1 4.44Å
315K97.4Very high97.3Very high96 Ų9652.7 Ų52.742%0.41728%0.283SS..Hα-helixtrans-72.5-37.7-178.8-68.8-169.1175.3-171.80114.4R313 L318 E319 I350 F354R313-K315 PolarHBondContact O-N 3.08Å; R313-K315 VanDerWaalsContact O-N 3.13Å; K315-L318 WeakPolarHBondContact O-CA 3.48Å; K315-L318 WeakPolarHBondContact O-CB 3.43Å; K315-L318 PolarHBondContact O-N 3.41Å; K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.48Å; K315-I350 HydrophobicContact CG-CG2 4.12Å; K315-F354 HydrophobicContact CG-CD2 4.46Å
316G96.7Very high97.2Very high38 Ų3847.9 Ų47.939%0.39228%0.281SS..Hα-helixtrans-55.6-47.2-173.300000114.3R313 L318 K320R313-G316 PolarHBondContact O-N 3.26Å; G316-L318 VanDerWaalsContact C-N 3.32Å; G316-L318 PolarHBondContact O-N 3.01Å; G316-K320 VanDerWaalsContact O-CB 3.3Å; G316-K320 WeakPolarHBondContact O-CB 3.47Å; G316-K320 PolarHBondContact O-N 2.86Å
317P97.1Very high97.2Very high6 Ų647.1 Ų47.14%0.03928%0.277CS..Hα-helixtrans-62.1-33.5173.6-2737.1000114.1M206 V208 A224 D226 R313 A321M206-P317 HydrophobicContact CE-CB 4.35Å; M206-P317 HydrophobicContact SD-CG 4.26Å; V208-P317 HydrophobicContact CG2-CB 3.67Å; A224-P317 VanDerWaalsContact CB-O 3.26Å; A224-P317 WeakPolarHBondContact CB-O 3.39Å; D226-P317 HydrophobicContact CB-CG 3.88Å; R313-P317 WeakPolarHBondContact O-CD 3.44Å; P317-A321 VanDerWaalsContact O-CB 3.31Å; P317-A321 WeakPolarHBondContact O-CB 3.38Å; P317-A321 PolarHBondContact O-N 3.47Å
318L98.3Very high97.2Very high0 Ų050.5 Ų50.50%030%0.298CS..Hα-helixtrans-72.9-46.2-179.7-54.8169.5000111.4V199 M206 V208 V314 K315 G316 A321 L322 L351 F354 F355V199-L318 HydrophobicContact CG2-CD2 3.89Å; M206-L318 HydrophobicContact CE-CD1 4.49Å; M206-L318 HydrophobicContact CE-CD2 3.85Å; M206-L318 HydrophobicContact CE-CG 3.99Å; V208-L318 HydrophobicContact CG1-CD2 4.02Å; V208-L318 HydrophobicContact CG2-CD2 3.77Å; V314-L318 HydrophobicContact CG1-CD1 4.39Å; V314-L318 WeakPolarHBondContact O-CD1 3.42Å; V314-L318 WeakPolarHBondContact O-CG 3.4Å; K315-L318 WeakPolarHBondContact O-CA 3.48Å; K315-L318 WeakPolarHBondContact O-CB 3.43Å; K315-L318 PolarHBondContact O-N 3.41Å; G316-L318 VanDerWaalsContact C-N 3.32Å; G316-L318 PolarHBondContact O-N 3.01Å; L318-A321 PolarHBondContact O-N 3.22Å; L318-L322 PolarHBondContact O-N 3.32Å; L318-L351 HydrophobicContact CD1-CD2 3.62Å; L318-L351 HydrophobicContact CD2-CD2 3.73Å; L318-L351 HydrophobicContact CG-CD2 4.34Å; L318-F354 HydrophobicContact CB-CD1 3.96Å; L318-F354 HydrophobicContact CB-CE1 3.48Å; L318-F354 VanDerWaalsContact CB-CE1 3.48Å; L318-F354 HydrophobicContact CB-CE2 4.33Å; L318-F354 HydrophobicContact CB-CZ 3.68Å; L318-F354 HydrophobicContact CD1-CB 4.44Å; L318-F354 HydrophobicContact CD1-CD1 3.95Å; L318-F354 HydrophobicContact CD1-CE1 4.34Å; L318-F354 HydrophobicContact CD1-CG 4.06Å; L318-F354 HydrophobicContact CG-CE1 4.48Å; L318-F355 HydrophobicContact CD2-CE2 3.96Å; L318-F355 HydrophobicContact CD2-CZ 4.15Å
319E98.1Very high97.2Very high103 Ų10350.9 Ų50.948%0.48130%0.296SS..Hα-helixtrans-60.6-45.4176.1-68.6168.1178.400110.7K315 L322 A323 F354K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.48Å; E319-L322 PolarHBondContact O-N 2.85Å; E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 3.08Å; E319-F354 HydrophobicContact CG-CE2 3.52Å; E319-F354 HydrophobicContact CG-CZ 3.71Å
320K96.2Very high97.3Very high84 Ų8454.8 Ų54.837%0.36531%0.306SS..Hα-helixtrans-62.6-42.8175.1-174.7170.4-178.9172.30112.3A224 G316 A323 E324A224-K320 HydrophobicContact CB-CB 3.96Å; A224-K320 HydrophobicContact CB-CD 4.2Å; A224-K320 HydrophobicContact CB-CG 3.92Å; G316-K320 VanDerWaalsContact O-CB 3.3Å; G316-K320 WeakPolarHBondContact O-CB 3.47Å; G316-K320 PolarHBondContact O-N 2.86Å; K320-A323 PolarHBondContact O-N 3.14Å; K320-E324 WeakPolarHBondContact CE-OE1 3.17Å; K320-E324 HydrophobicContact CG-CG 4.3Å; K320-E324 WeakPolarHBondContact O-CB 3.36Å; K320-E324 VanDerWaalsContact O-CG 3.3Å; K320-E324 WeakPolarHBondContact O-CG 3.42Å; K320-E324 PolarHBondContact O-N 2.85Å
321A97.2Very high97.3Very high0 Ų057.6 Ų57.60%032%0.321CS..Hα-helixtrans-63.9-41.1178.500000112.8V208 I210 S222 A224 P317 L318 A325V208-A321 HydrophobicContact CB-CB 3.99Å; V208-A321 HydrophobicContact CG1-CB 3.43Å; V208-A321 VanDerWaalsContact CG1-CB 3.43Å; I210-A321 HydrophobicContact CD1-CB 4.15Å; I210-A321 HydrophobicContact CG1-CB 4.24Å; S222-A321 VanDerWaalsContact CB-O 3.25Å; S222-A321 WeakPolarHBondContact CB-O 3.49Å; S222-A321 PolarHBondContact OG-O 2.83Å; A224-A321 HydrophobicContact CB-CB 3.98Å; P317-A321 VanDerWaalsContact O-CB 3.31Å; P317-A321 WeakPolarHBondContact O-CB 3.38Å; P317-A321 PolarHBondContact O-N 3.47Å; L318-A321 PolarHBondContact O-N 3.22Å; A321-A325 WeakPolarHBondContact O-CB 3.14Å; A321-A325 PolarHBondContact O-N 3.12Å; A321-A325 VanDerWaalsContact O-N 3.08Å
322L98.3Very high97.3Very high13 Ų1356.5 Ų56.57%0.06832%0.315CS..Hα-helixtrans-65.7-48.2175.9-79.9175.7000112I210 L318 E319 E324 A325 G326 L327 T329 V332 F354 F355I210-L322 HydrophobicContact CD1-CD2 3.81Å; I210-L322 HydrophobicContact CD1-CG 4.25Å; L318-L322 PolarHBondContact O-N 3.32Å; E319-L322 PolarHBondContact O-N 2.85Å; L322-E324 PolarHBondContact O-N 2.78Å; L322-A325 PolarHBondContact O-N 2.72Å; L322-G326 PolarHBondContact O-N 3.21Å; L322-G326 VanDerWaalsContact O-N 3.1Å; L322-L327 WeakPolarHBondContact CB-O 3.49Å; L322-L327 HydrophobicContact CD2-CB 4.16Å; L322-L327 PolarHBondContact O-N 3.47Å; L322-L327 VanDerWaalsContact O-N 3.08Å; L322-T329 HydrophobicContact CD1-CG2 3.56Å; L322-V332 HydrophobicContact CD2-CG2 3.68Å; L322-F354 HydrophobicContact CD1-CE1 3.58Å; L322-F354 HydrophobicContact CD1-CZ 3.84Å; L322-F355 HydrophobicContact CD1-CE1 4.36Å
323A96.8Very high97.3Very high79 Ų7953.7 Ų53.765%0.65330%0.302SS*.Hα-helixtrans-60.2-44.2178.900000112.2E319 K320 A325 G326E319-A323 WeakPolarHBondContact O-CB 3.45Å; E319-A323 PolarHBondContact O-N 3.08Å; K320-A323 PolarHBondContact O-N 3.14Å; A323-A325 VanDerWaalsContact C-N 3.33Å; A323-A325 PolarHBondContact O-N 2.96Å; A323-G326 PolarHBondContact O-N 3.18Å
324E94.7Very high97.3Very high69 Ų6952.1 Ų52.132%0.32230%0.297SS..Hα-helixtrans-70.1-26.2177.3-71.8-178.517300113.5K320 L322 G326 K420K320-E324 WeakPolarHBondContact CE-OE1 3.17Å; K320-E324 HydrophobicContact CG-CG 4.3Å; K320-E324 WeakPolarHBondContact O-CB 3.36Å; K320-E324 VanDerWaalsContact O-CG 3.3Å; K320-E324 WeakPolarHBondContact O-CG 3.42Å; K320-E324 PolarHBondContact O-N 2.85Å; L322-E324 PolarHBondContact O-N 2.78Å; E324-G326 VanDerWaalsContact C-N 3.32Å; E324-K420 IonicContact OE1-NZ 2.78Å; E324-K420 PolarHBondContact OE1-NZ 2.94Å; E324-K420 WeakPolarHBondContact OE2-CE 3.49Å; E324-K420 IonicContact OE2-NZ 3.74Å; E324-K420 PolarHBondContact OE2-NZ 3.05Å
325A96.8Very high97.3Very high22 Ų2252.1 Ų52.118%0.18230%0.298CS..Hα-helixtrans-80-14173.500000113.1I210 L221 A321 L322 A323 L327I210-A325 HydrophobicContact CB-CB 4.43Å; I210-A325 HydrophobicContact CD1-CB 4.06Å; L221-A325 HydrophobicContact CB-CB 3.95Å; A321-A325 WeakPolarHBondContact O-CB 3.14Å; A321-A325 PolarHBondContact O-N 3.12Å; A321-A325 VanDerWaalsContact O-N 3.08Å; L322-A325 PolarHBondContact O-N 2.72Å; A323-A325 VanDerWaalsContact C-N 3.33Å; A323-A325 PolarHBondContact O-N 2.96Å; A325-L327 HydrophobicContact CB-CB 4.27Å; A325-L327 HydrophobicContact CB-CD1 4.02Å; A325-L327 HydrophobicContact CB-CG 3.93Å
326G97.1Very high97.3Very high67 Ų6747.6 Ų47.669%0.69128%0.278SS*.THydrogen-bonded Turntrans6931.2-170.800000113.3L322 A323 E324L322-G326 PolarHBondContact O-N 3.21Å; L322-G326 VanDerWaalsContact O-N 3.1Å; A323-G326 PolarHBondContact O-N 3.18Å; E324-G326 VanDerWaalsContact C-N 3.32Å
327L98Very high97.4Very high35 Ų3545.9 Ų45.918%0.18326%0.26CS..  trans-123153.6-173.2-63.2-177.8000112.5N195 I210 L221 L322 A325 N331N195-L327 HydrophobicContact CB-CD1 4.3Å; I210-L327 HydrophobicContact CG2-CD1 4.09Å; L221-L327 HydrophobicContact CD1-CD1 3.92Å; L322-L327 WeakPolarHBondContact CB-O 3.49Å; L322-L327 HydrophobicContact CD2-CB 4.16Å; L322-L327 PolarHBondContact O-N 3.47Å; L322-L327 VanDerWaalsContact O-N 3.08Å; A325-L327 HydrophobicContact CB-CB 4.27Å; A325-L327 HydrophobicContact CB-CD1 4.02Å; A325-L327 HydrophobicContact CB-CG 3.93Å; L327-N331 HydrophobicContact CB-CB 4.23Å; L327-N331 HydrophobicContact CD2-CB 3.9Å; L327-N331 HydrophobicContact CG-CB 4.47Å
328T97.9Very high97.3Very high70 Ų7045.7 Ų45.743%0.42926%0.259SS..  trans-94.3169.1164.2690000111.2E330 N331T328-E330 PolarHBondContact O-N 2.92Å; T328-E330 PolarHBondContact OG1-N 3.36Å; T328-N331 PolarHBondContact N-OD1 3.17Å; T328-N331 PolarHBondContact O-N 3.37Å; T328-N331 VanDerWaalsContact O-N 3.1Å; T328-N331 PolarHBondContact OG1-OD1 2.92Å
329T97.8Very high97.2Very high46 Ų4646 Ų4628%0.28226%0.262SS..G310 helixtrans-58-30.7172.948.30000112.9L322 N331 V332 F354 F355 K357L322-T329 HydrophobicContact CD1-CG2 3.56Å; T329-N331 VanDerWaalsContact C-N 3.33Å; T329-V332 PolarHBondContact O-N 3.4Å; T329-F354 HydrophobicContact CG2-CD1 4.32Å; T329-F354 HydrophobicContact CG2-CE1 4.11Å; T329-F354 VanDerWaalsContact CG2-O 3.29Å; T329-F354 WeakPolarHBondContact CG2-O 3.49Å; T329-F355 HydrophobicContact CG2-CD1 4.22Å; T329-K357 PolarHBondContact O-NZ 3.37Å
330E97Very high96.8Very high161 Ų16142.8 Ų42.875%0.75225%0.251SS*.G310 helixtrans-65.9-35.9176.2-57.8-177.7162.800111.8T328 V332T328-E330 PolarHBondContact O-N 2.92Å; T328-E330 PolarHBondContact OG1-N 3.36Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.08Å
331N97.2Very high96.6Very high67 Ų6738.9 Ų38.936%0.35823%0.234SC..G310 helixtrans-78-11.8-177.8-47126.7000113.7N195 L327 T328 T329 H333N195-N331 WeakPolarHBondContact CB-O 3.33Å; N195-N331 PolarHBondContact ND2-O 3.42Å; L327-N331 HydrophobicContact CB-CB 4.23Å; L327-N331 HydrophobicContact CD2-CB 3.9Å; L327-N331 HydrophobicContact CG-CB 4.47Å; T328-N331 PolarHBondContact N-OD1 3.17Å; T328-N331 PolarHBondContact O-N 3.37Å; T328-N331 VanDerWaalsContact O-N 3.1Å; T328-N331 PolarHBondContact OG1-OD1 2.92Å; T329-N331 VanDerWaalsContact C-N 3.33Å; N331-H333 PolarHBondContact O-ND1 3.26Å
332V98.2Very high96.5Very high0 Ų038.9 Ų38.90%023%0.234CC..  trans-84.8115.6173.1175.20000108.5A197 I210 L322 T329 E330 F334 V335 F355 K357A197-V332 HydrophobicContact CB-CG1 3.72Å; I210-V332 HydrophobicContact CD1-CG2 4.39Å; L322-V332 HydrophobicContact CD2-CG2 3.68Å; T329-V332 PolarHBondContact O-N 3.4Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.08Å; V332-F334 VanDerWaalsContact CG1-O 3.31Å; V332-F334 WeakPolarHBondContact CG1-O 3.38Å; V332-V335 HydrophobicContact CG1-CG2 4.21Å; V332-F355 HydrophobicContact CB-CD1 4.4Å; V332-F355 HydrophobicContact CB-CE1 4.44Å; V332-F355 HydrophobicContact CG1-CD1 4.36Å; V332-F355 HydrophobicContact CG1-CE1 4.29Å; V332-F355 HydrophobicContact CG2-CE1 4.26Å; V332-K357 PolarHBondContact O-NZ 2.77Å
333H97.3Very high96.3Very high86 Ų8643.5 Ų43.540%0.39825%0.25SS..  trans-77.3-49.9-173.1-62.168.7000110.8Q193 L194 N195 N331Q193-H333 PolarHBondContact O-CE1 3.03Å; L194-H333 HydrophobicContact CD1-CB 3.62Å; N195-H333 PolarHBondContact N-ND1 3.27Å; N195-H333 WeakPolarHBondContact O-CB 3.41Å; N195-H333 PolarHBondContact O-N 2.91Å; N195-H333 PolarHBondContact O-ND1 3.43Å; N331-H333 PolarHBondContact O-ND1 3.26Å
334F97.3Very high96.2Very high52 Ų5239.8 Ų39.823%0.22822%0.22CC..EExtended strand (participates in β ladder)trans-128.7152.1178.9-51.2-44000111.1L194 V196 A197 V332 R360L194-F334 HydrophobicContact CD1-CD2 4.24Å; L194-F334 HydrophobicContact CD1-CE2 3.84Å; L194-F334 HydrophobicContact CD1-CZ 4.44Å; L194-F334 HydrophobicContact CD2-CD2 4.42Å; L194-F334 HydrophobicContact CD2-CE2 4.16Å; V196-F334 WeakPolarHBondContact CA-O 3.39Å; V196-F334 HydrophobicContact CG1-CB 4.27Å; V196-F334 HydrophobicContact CG2-CB 4.36Å; V196-F334 HydrophobicContact CG2-CD2 4.29Å; A197-F334 PolarHBondContact N-O 2.9Å; V332-F334 VanDerWaalsContact CG1-O 3.31Å; V332-F334 WeakPolarHBondContact CG1-O 3.38Å; F334-R360 VanDerWaalsContact CE1-NH1 3.26Å; F334-R360 VanDerWaalsContact CE1-NH2 3.32Å; F334-R360 VanDerWaalsContact CG-NH1 3.3Å
335V98.1Very high96.3Very high1 Ų138.3 Ų38.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-118124.4170-174.50000106.3A197 V199 V332 V337 F355 K357 P359 R360A197-V335 CarbonylContact O-C 3.57Å; A197-V335 WeakPolarHBondContact O-CA 3.32Å; V199-V335 HydrophobicContact CG2-CG1 4.16Å; V332-V335 HydrophobicContact CG1-CG2 4.21Å; V335-V337 HydrophobicContact CG1-CG2 4.35Å; V335-F355 HydrophobicContact CB-CD2 4.46Å; V335-F355 HydrophobicContact CG1-CD2 4.11Å; V335-F355 HydrophobicContact CG1-CE2 4.02Å; V335-F355 HydrophobicContact CG2-CB 3.91Å; V335-F355 HydrophobicContact CG2-CD1 4.02Å; V335-F355 HydrophobicContact CG2-CD2 3.54Å; V335-F355 HydrophobicContact CG2-CE1 4.42Å; V335-F355 HydrophobicContact CG2-CE2 3.97Å; V335-F355 HydrophobicContact CG2-CG 3.56Å; V335-F355 HydrophobicContact CG2-CZ 4.39Å; V335-K357 HydrophobicContact CG2-CG 4.45Å; V335-P359 HydrophobicContact CB-CB 4.3Å; V335-P359 HydrophobicContact CG1-CB 4.11Å; V335-R360 WeakPolarHBondContact O-CB 3.39Å; V335-R360 PolarHBondContact O-N 3.5Å
336E97.6Very high96.3Very high1 Ų137.6 Ų37.61%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-116.6132.4176.9-62.4-74162.800108.8Y181 V196 A197 F198 V199 R360 T362 M363Y181-E336 HydrophobicContact CD2-CG 4.16Å; Y181-E336 HydrophobicContact CE2-CG 3.6Å; Y181-E336 WeakPolarHBondContact CE2-OE1 3.21Å; Y181-E336 PolarHBondContact OH-OE1 2.67Å; V196-E336 HydrophobicContact CG1-CG 3.93Å; A197-E336 PolarHBondContact O-N 2.76Å; F198-E336 WeakPolarHBondContact CA-O 3.42Å; F198-E336 HydrophobicContact CD1-CB 3.87Å; F198-E336 HydrophobicContact CE1-CB 3.87Å; F198-E336 HydrophobicContact CE1-CG 4.09Å; V199-E336 PolarHBondContact N-O 3.32Å; E336-R360 WeakPolarHBondContact CA-O 3.46Å; E336-R360 VanDerWaalsContact CD-CB 3.49Å; E336-R360 WeakPolarHBondContact OE1-CB 3.19Å; E336-R360 WeakPolarHBondContact OE1-CD 3.39Å; E336-R360 VanDerWaalsContact OE2-CB 3.32Å; E336-R360 WeakPolarHBondContact OE2-CB 3.41Å; E336-T362 WeakPolarHBondContact OE1-CG2 2.99Å; E336-T362 PolarHBondContact OE1-OG1 3.45Å; E336-T362 WeakPolarHBondContact OE2-CB 3.31Å; E336-T362 WeakPolarHBondContact OE2-CG2 3.15Å; E336-T362 PolarHBondContact OE2-N 3.34Å; E336-T362 PolarHBondContact OE2-OG1 3.2Å; E336-M363 HydrophobicContact CB-CE 4.11Å
337V97.5Very high96.3Very high1 Ų134.4 Ų34.41%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-119.7124.3-169.7-159.40000111.9V199 V335 S342 I348 L351 P359 R360V199-V337 HydrophobicContact CB-CG1 4.31Å; V199-V337 HydrophobicContact CG1-CG1 4.46Å; V199-V337 WeakPolarHBondContact O-CA 3.31Å; V199-V337 WeakPolarHBondContact O-CG1 3.48Å; V335-V337 HydrophobicContact CG1-CG2 4.35Å; V337-S342 VanDerWaalsContact CG1-CB 3.47Å; V337-I348 HydrophobicContact CB-CD1 4.36Å; V337-I348 HydrophobicContact CG1-CD1 4.24Å; V337-I348 HydrophobicContact CG2-CD1 4.14Å; V337-L351 HydrophobicContact CG1-CD1 4.08Å; V337-L351 HydrophobicContact CG2-CD1 3.96Å; V337-P359 HydrophobicContact CG2-CB 3.3Å; V337-P359 HydrophobicContact CG2-CG 4.42Å; V337-R360 PolarHBondContact N-O 3.11Å
338V96.8Very high96.2Very high3 Ų334.5 Ų34.52%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-127-179.2-176.5-56.40000111.6T177 V199 D200 V201 S342 M363 A365T177-V338 HydrophobicContact CG2-CG1 4.08Å; T177-V338 HydrophobicContact CG2-CG2 4.15Å; V199-V338 PolarHBondContact O-N 2.67Å; D200-V338 HydrophobicContact CB-CG2 3.69Å; V201-V338 PolarHBondContact N-O 3.36Å; V201-V338 VanDerWaalsContact N-O 3.07Å; V338-S342 VanDerWaalsContact O-CB 3.3Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-OG 2.83Å; V338-M363 HydrophobicContact CG1-CE 3.88Å; V338-A365 HydrophobicContact CB-CB 4.27Å
339G94.4Very high96.2Very high7 Ų737.5 Ų37.57%0.07219%0.185CC..SBendtrans78.7151.5-175.800000113.4D200 V201 S342 A365D200-G339 WeakPolarHBondContact OD1-CA 3.26Å; V201-G339 CarbonylContact O-C 3.58Å; V201-G339 WeakPolarHBondContact O-CA 3.46Å; G339-S342 WeakPolarHBondContact O-CB 3.45Å; G339-S342 PolarHBondContact O-N 2.68Å; G339-S342 PolarHBondContact O-OG 2.93Å; G339-A365 PolarHBondContact N-O 2.82Å
340S89.8Confident96.2Very high35 Ų3536.6 Ų36.625%0.24518%0.178CC..SBendtrans-70.7-33.6-171.460.70000114.2V201 S342V201-S340 PolarHBondContact O-N 2.99Å; S340-S342 VanDerWaalsContact C-N 3.3Å; S340-S342 PolarHBondContact O-N 2.74Å
341G93.1Very high96.2Very high1 Ų128.9 Ų28.91%0.0114%0.142CC..G310 helixtrans-68.7-25.5178.200000113.5V201 R343 V344V201-G341 VanDerWaalsContact O-CA 3.32Å; V201-G341 WeakPolarHBondContact O-CA 3.38Å; V201-G341 PolarHBondContact O-N 3Å; G341-R343 PolarHBondContact O-N 3.47Å; G341-V344 PolarHBondContact O-N 3.05Å; G341-V344 VanDerWaalsContact O-N 3.17Å
342S94.7Very high96.3Very high0 Ų027.9 Ų27.90%014%0.138CC..G310 helixtrans-60.9-10178.273.90000114.9V201 V337 V338 G339 S340 V344 R361V201-S342 PolarHBondContact O-N 3.22Å; V337-S342 VanDerWaalsContact CG1-CB 3.47Å; V338-S342 VanDerWaalsContact O-CB 3.3Å; V338-S342 WeakPolarHBondContact O-CB 3.28Å; V338-S342 PolarHBondContact O-OG 2.83Å; G339-S342 WeakPolarHBondContact O-CB 3.45Å; G339-S342 PolarHBondContact O-N 2.68Å; G339-S342 PolarHBondContact O-OG 2.93Å; S340-S342 VanDerWaalsContact C-N 3.3Å; S340-S342 PolarHBondContact O-N 2.74Å; S342-V344 VanDerWaalsContact C-N 3.29Å; S342-R361 PolarHBondContact O-NH2 3.22Å; S342-R361 PolarHBondContact OG-NH1 2.96Å
343R94.1Very high96.2Very high110 Ų11033 Ų3342%0.41517%0.166SC..G310 helixtrans-76.1-14.2178.9-63177.7177.6122.9-1.2112.8S276 G341 P345S276-R343 WeakPolarHBondContact CB-O 3.33Å; G341-R343 PolarHBondContact O-N 3.47Å; R343-P345 WeakPolarHBondContact O-CD 3.42Å
344V95.4Very high96.3Very high2 Ų230.5 Ų30.51%0.01215%0.154CC..SBendtrans-64.6119.2173.1175.70000110.3F234 K272 F303 G341 S342 A346 I347F234-V344 HydrophobicContact CD2-CG2 4.41Å; F234-V344 HydrophobicContact CE1-CG1 4.17Å; F234-V344 HydrophobicContact CG-CG2 4.44Å; F234-V344 HydrophobicContact CZ-CG1 4.44Å; K272-V344 HydrophobicContact CD-CG2 4.49Å; K272-V344 HydrophobicContact CG-CG2 4.33Å; F303-V344 HydrophobicContact CE1-CG1 4.18Å; G341-V344 PolarHBondContact O-N 3.05Å; G341-V344 VanDerWaalsContact O-N 3.17Å; S342-V344 VanDerWaalsContact C-N 3.29Å; V344-A346 VanDerWaalsContact C-N 3.35Å; V344-A346 HydrophobicContact CG1-CB 4.44Å; V344-A346 PolarHBondContact O-N 3Å; V344-I347 HydrophobicContact CB-CD1 4.07Å; V344-I347 HydrophobicContact CB-CG1 4.16Å; V344-I347 HydrophobicContact CG1-CG1 4.37Å; V344-I347 WeakPolarHBondContact O-CB 3.26Å; V344-I347 PolarHBondContact O-N 2.92Å
345P95.8Very high96.3Very high37 Ų3728.3 Ų28.324%0.2414%0.144CC..Hα-helixtrans-57.8-39.1-171.4-30.237.7000115R343 I347 I348 K349R343-P345 WeakPolarHBondContact O-CD 3.42Å; P345-I347 PolarHBondContact O-N 3.46Å; P345-I348 PolarHBondContact O-N 2.82Å; P345-I348 VanDerWaalsContact O-N 3.11Å; P345-K349 PolarHBondContact O-N 3.3Å
346A97.1Very high96.3Very high8 Ų831.6 Ų31.67%0.06618%0.178CC..Hα-helixtrans-56.8-30.4176.300000114.2E304 L311 V344 K349 I350E304-A346 HydrophobicContact CG-CB 3.93Å; L311-A346 HydrophobicContact CD1-CB 3.84Å; L311-A346 HydrophobicContact CD2-CB 3.66Å; L311-A346 HydrophobicContact CG-CB 4.43Å; V344-A346 VanDerWaalsContact C-N 3.35Å; V344-A346 HydrophobicContact CG1-CB 4.44Å; V344-A346 PolarHBondContact O-N 3Å; A346-K349 PolarHBondContact O-N 2.97Å; A346-I350 WeakPolarHBondContact O-CD1 3.43Å; A346-I350 VanDerWaalsContact O-CG1 3.27Å; A346-I350 WeakPolarHBondContact O-CG1 3.49Å; A346-I350 PolarHBondContact O-N 2.97Å
347I97.1Very high96.2Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-67.9-46176.3-60.2-178.7000110.2V201 F234 L311 V344 P345 K349 I350 L351V201-I347 HydrophobicContact CG1-CD1 4.11Å; V201-I347 HydrophobicContact CG2-CG2 4.38Å; F234-I347 HydrophobicContact CE2-CD1 3.95Å; F234-I347 HydrophobicContact CZ-CD1 3.93Å; F234-I347 HydrophobicContact CZ-CG1 4.27Å; L311-I347 HydrophobicContact CD2-CG1 4.28Å; V344-I347 HydrophobicContact CB-CD1 4.07Å; V344-I347 HydrophobicContact CB-CG1 4.16Å; V344-I347 HydrophobicContact CG1-CG1 4.37Å; V344-I347 WeakPolarHBondContact O-CB 3.26Å; V344-I347 PolarHBondContact O-N 2.92Å; P345-I347 PolarHBondContact O-N 3.46Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 3.48Å; I347-I350 PolarHBondContact O-N 2.85Å; I347-L351 HydrophobicContact CG2-CD1 4.01Å; I347-L351 HydrophobicContact CG2-CG 4.44Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.21Å; I347-L351 PolarHBondContact O-N 3.18Å
348I96Very high96.1Very high36 Ų3642 Ų4219%0.18523%0.226CC..Hα-helixtrans-63.8-37177.5-61.5-62.4000111V337 P345 L351 T352 P359V337-I348 HydrophobicContact CB-CD1 4.36Å; V337-I348 HydrophobicContact CG1-CD1 4.24Å; V337-I348 HydrophobicContact CG2-CD1 4.14Å; P345-I348 PolarHBondContact O-N 2.82Å; P345-I348 VanDerWaalsContact O-N 3.11Å; I348-L351 HydrophobicContact CD1-CD1 4.37Å; I348-L351 PolarHBondContact O-N 3.07Å; I348-T352 WeakPolarHBondContact O-CB 3.15Å; I348-T352 PolarHBondContact O-N 3.26Å; I348-T352 PolarHBondContact O-OG1 3.48Å; I348-P359 HydrophobicContact CD1-CB 4.44Å; I348-P359 HydrophobicContact CG2-CG 4.36Å
349K97Very high96.1Very high133 Ų13342.4 Ų42.458%0.57823%0.228SC*.Hα-helixtrans-59.5-52.4171.5-176.3179176.3-1770111.6P345 A346 I347 L351 T352 D353P345-K349 PolarHBondContact O-N 3.3Å; A346-K349 PolarHBondContact O-N 2.97Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 3.48Å; K349-L351 VanDerWaalsContact C-N 3.28Å; K349-L351 PolarHBondContact O-N 3.43Å; K349-T352 PolarHBondContact O-N 3.1Å; K349-T352 VanDerWaalsContact O-N 3.13Å; K349-D353 WeakPolarHBondContact O-CB 3.43Å; K349-D353 VanDerWaalsContact O-CG 3.25Å; K349-D353 PolarHBondContact O-N 2.81Å
350I98.1Very high96.2Very high27 Ų2747 Ų4714%0.13824%0.243CC..Hα-helixtrans-58.2-40.2178.5-68.8160.5000111.5L311 V314 K315 A346 I347 F354L311-I350 HydrophobicContact CB-CD1 3.94Å; L311-I350 HydrophobicContact CD2-CD1 3.98Å; V314-I350 HydrophobicContact CB-CD1 4.38Å; V314-I350 HydrophobicContact CB-CG2 4.14Å; V314-I350 HydrophobicContact CG1-CB 4.39Å; V314-I350 HydrophobicContact CG1-CG2 3.74Å; V314-I350 HydrophobicContact CG2-CD1 4.44Å; K315-I350 HydrophobicContact CG-CG2 4.12Å; A346-I350 WeakPolarHBondContact O-CD1 3.43Å; A346-I350 VanDerWaalsContact O-CG1 3.27Å; A346-I350 WeakPolarHBondContact O-CG1 3.49Å; A346-I350 PolarHBondContact O-N 2.97Å; I347-I350 PolarHBondContact O-N 2.85Å; I350-F354 WeakPolarHBondContact O-CB 3.12Å; I350-F354 PolarHBondContact O-N 3.41Å
351L98.1Very high96.4Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-67.2-40.1177-70171.1000112.5V199 L318 V337 I347 I348 K349 F354 F355 P359V199-L351 HydrophobicContact CB-CD1 4.49Å; V199-L351 HydrophobicContact CG1-CD1 4.15Å; V199-L351 HydrophobicContact CG1-CD2 4.16Å; V199-L351 HydrophobicContact CG2-CD2 4.03Å; L318-L351 HydrophobicContact CD1-CD2 3.62Å; L318-L351 HydrophobicContact CD2-CD2 3.73Å; L318-L351 HydrophobicContact CG-CD2 4.34Å; V337-L351 HydrophobicContact CG1-CD1 4.08Å; V337-L351 HydrophobicContact CG2-CD1 3.96Å; I347-L351 HydrophobicContact CG2-CD1 4.01Å; I347-L351 HydrophobicContact CG2-CG 4.44Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.21Å; I347-L351 PolarHBondContact O-N 3.18Å; I348-L351 HydrophobicContact CD1-CD1 4.37Å; I348-L351 PolarHBondContact O-N 3.07Å; K349-L351 VanDerWaalsContact C-N 3.28Å; K349-L351 PolarHBondContact O-N 3.43Å; L351-F354 PolarHBondContact O-N 2.78Å; L351-F355 HydrophobicContact CD2-CD2 4.4Å; L351-F355 HydrophobicContact CD2-CE2 4.02Å; L351-F355 WeakPolarHBondContact O-CD2 3.24Å; L351-F355 PolarHBondContact O-N 2.98Å; L351-P359 HydrophobicContact CB-CB 4.49Å; L351-P359 HydrophobicContact CB-CG 3.51Å; L351-P359 HydrophobicContact CD1-CG 4.4Å
352T98Very high96.4Very high46 Ų4654.8 Ų54.828%0.28228%0.277SS..Hα-helixtrans-64.5-48.7175.3-53.40000110.8I348 K349 F354 G356 P359I348-T352 WeakPolarHBondContact O-CB 3.15Å; I348-T352 PolarHBondContact O-N 3.26Å; I348-T352 PolarHBondContact O-OG1 3.48Å; K349-T352 PolarHBondContact O-N 3.1Å; K349-T352 VanDerWaalsContact O-N 3.13Å; T352-F354 PolarHBondContact O-N 2.77Å; T352-G356 WeakPolarHBondContact O-CA 3.4Å; T352-G356 PolarHBondContact O-N 2.86Å; T352-P359 WeakPolarHBondContact OG1-CD 3.44Å
353D97.9Very high96.2Very high108 Ų10856.2 Ų56.258%0.57828%0.284SS*.Hα-helixtrans-62.8-30.7178.3-66.9-15000111.8K349K349-D353 WeakPolarHBondContact O-CB 3.43Å; K349-D353 VanDerWaalsContact O-CG 3.25Å; K349-D353 PolarHBondContact O-N 2.81Å
354F98Very high96.2Very high33 Ų3354.5 Ų54.515%0.14528%0.283CS..Hα-helixtrans-81.9-49.5-179.8-174.7-95.1000113.3K315 L318 E319 L322 T329 I350 L351 T352K315-F354 HydrophobicContact CG-CD2 4.46Å; L318-F354 HydrophobicContact CB-CD1 3.96Å; L318-F354 HydrophobicContact CB-CE1 3.48Å; L318-F354 VanDerWaalsContact CB-CE1 3.48Å; L318-F354 HydrophobicContact CB-CE2 4.33Å; L318-F354 HydrophobicContact CB-CZ 3.68Å; L318-F354 HydrophobicContact CD1-CB 4.44Å; L318-F354 HydrophobicContact CD1-CD1 3.95Å; L318-F354 HydrophobicContact CD1-CE1 4.34Å; L318-F354 HydrophobicContact CD1-CG 4.06Å; L318-F354 HydrophobicContact CG-CE1 4.48Å; E319-F354 HydrophobicContact CG-CE2 3.52Å; E319-F354 HydrophobicContact CG-CZ 3.71Å; L322-F354 HydrophobicContact CD1-CE1 3.58Å; L322-F354 HydrophobicContact CD1-CZ 3.84Å; T329-F354 HydrophobicContact CG2-CD1 4.32Å; T329-F354 HydrophobicContact CG2-CE1 4.11Å; T329-F354 VanDerWaalsContact CG2-O 3.29Å; T329-F354 WeakPolarHBondContact CG2-O 3.49Å; I350-F354 WeakPolarHBondContact O-CB 3.12Å; I350-F354 PolarHBondContact O-N 3.41Å; L351-F354 PolarHBondContact O-N 2.78Å; T352-F354 PolarHBondContact O-N 2.77Å
355F97.8Very high95.9Very high6 Ų655.1 Ų55.13%0.02629%0.288CS..Hα-helixtrans-87.7-8.9-177.8-71.3-74000114A197 L318 L322 T329 V332 V335 L351 K357A197-F355 HydrophobicContact CB-CE1 4.32Å; A197-F355 HydrophobicContact CB-CZ 4.03Å; L318-F355 HydrophobicContact CD2-CE2 3.96Å; L318-F355 HydrophobicContact CD2-CZ 4.15Å; L322-F355 HydrophobicContact CD1-CE1 4.36Å; T329-F355 HydrophobicContact CG2-CD1 4.22Å; V332-F355 HydrophobicContact CB-CD1 4.4Å; V332-F355 HydrophobicContact CB-CE1 4.44Å; V332-F355 HydrophobicContact CG1-CD1 4.36Å; V332-F355 HydrophobicContact CG1-CE1 4.29Å; V332-F355 HydrophobicContact CG2-CE1 4.26Å; V335-F355 HydrophobicContact CB-CD2 4.46Å; V335-F355 HydrophobicContact CG1-CD2 4.11Å; V335-F355 HydrophobicContact CG1-CE2 4.02Å; V335-F355 HydrophobicContact CG2-CB 3.91Å; V335-F355 HydrophobicContact CG2-CD1 4.02Å; V335-F355 HydrophobicContact CG2-CD2 3.54Å; V335-F355 HydrophobicContact CG2-CE1 4.42Å; V335-F355 HydrophobicContact CG2-CE2 3.97Å; V335-F355 HydrophobicContact CG2-CG 3.56Å; V335-F355 HydrophobicContact CG2-CZ 4.39Å; L351-F355 HydrophobicContact CD2-CD2 4.4Å; L351-F355 HydrophobicContact CD2-CE2 4.02Å; L351-F355 WeakPolarHBondContact O-CD2 3.24Å; L351-F355 PolarHBondContact O-N 2.98Å; F355-K357 HydrophobicContact CB-CG 4.06Å; F355-K357 WeakPolarHBondContact O-CE 3.43Å; F355-K357 PolarHBondContact O-N 3.46Å
356G97.6Very high95.7Very high69 Ų6954.2 Ų54.271%0.71128%0.283SS*.THydrogen-bonded Turntrans67.319.6-176.400000114T352T352-G356 WeakPolarHBondContact O-CA 3.4Å; T352-G356 PolarHBondContact O-N 2.86Å
357K96.4Very high95.6Very high64 Ų6454.4 Ų54.428%0.27828%0.282SS..SBendtrans-154.7148.5-177.664.1-15973.1-177.20111.4T329 V332 V335 F355 P359T329-K357 PolarHBondContact O-NZ 3.37Å; V332-K357 PolarHBondContact O-NZ 2.77Å; V335-K357 HydrophobicContact CG2-CG 4.45Å; F355-K357 HydrophobicContact CB-CG 4.06Å; F355-K357 WeakPolarHBondContact O-CE 3.43Å; F355-K357 PolarHBondContact O-N 3.46Å; K357-P359 WeakPolarHBondContact O-CD 3.4Å
358E95.7Very high95.5Very high158 Ų15854.6 Ų54.674%0.73828%0.284SS*.PPolyproline II helixtrans-66.5125.4-177.3-171.9174.6-166.100111.7
359P96.9Very high95.6Very high10 Ų1053.4 Ų53.47%0.06528%0.278CS..PPolyproline II helixtrans-70.9136.4175.5-16.229.3000112.6V335 V337 I348 L351 T352 K357V335-P359 HydrophobicContact CB-CB 4.3Å; V335-P359 HydrophobicContact CG1-CB 4.11Å; V337-P359 HydrophobicContact CG2-CB 3.3Å; V337-P359 HydrophobicContact CG2-CG 4.42Å; I348-P359 HydrophobicContact CD1-CB 4.44Å; I348-P359 HydrophobicContact CG2-CG 4.36Å; L351-P359 HydrophobicContact CB-CB 4.49Å; L351-P359 HydrophobicContact CB-CG 3.51Å; L351-P359 HydrophobicContact CD1-CG 4.4Å; T352-P359 WeakPolarHBondContact OG1-CD 3.44Å; K357-P359 WeakPolarHBondContact O-CD 3.4Å
360R96.1Very high95.6Very high105 Ų10547 Ų4740%0.39625%0.25SS..BIsolated β-bridgetrans-94.2162.3-175.5-65.6179.3175.9173.80.7112.8F334 V335 E336 V337 T362F334-R360 VanDerWaalsContact CE1-NH1 3.26Å; F334-R360 VanDerWaalsContact CE1-NH2 3.32Å; F334-R360 VanDerWaalsContact CG-NH1 3.3Å; V335-R360 WeakPolarHBondContact O-CB 3.39Å; V335-R360 PolarHBondContact O-N 3.5Å; E336-R360 WeakPolarHBondContact CA-O 3.46Å; E336-R360 VanDerWaalsContact CD-CB 3.49Å; E336-R360 WeakPolarHBondContact OE1-CB 3.19Å; E336-R360 WeakPolarHBondContact OE1-CD 3.39Å; E336-R360 VanDerWaalsContact OE2-CB 3.32Å; E336-R360 WeakPolarHBondContact OE2-CB 3.41Å; V337-R360 PolarHBondContact N-O 3.11Å; R360-T362 HydrophobicContact CB-CG2 4.34Å
361R94Very high95.6Very high110 Ų11048.3 Ų48.342%0.41525%0.253SS..  trans-133.853.3173.9-59.5-174.5-174.4-85.79.4110.1S342 M363S342-R361 PolarHBondContact O-NH2 3.22Å; S342-R361 PolarHBondContact OG-NH1 2.96Å; R361-M363 PolarHBondContact O-N 2.87Å
362T92.7Very high95.5Very high89 Ų8948.3 Ų48.355%0.54625%0.253SS..  trans-71-22-178.559.60000113.2Y181 E336 R360Y181-T362 WeakPolarHBondContact CE2-OG1 3.49Å; E336-T362 WeakPolarHBondContact OE1-CG2 2.99Å; E336-T362 PolarHBondContact OE1-OG1 3.45Å; E336-T362 WeakPolarHBondContact OE2-CB 3.31Å; E336-T362 WeakPolarHBondContact OE2-CG2 3.15Å; E336-T362 PolarHBondContact OE2-N 3.34Å; E336-T362 PolarHBondContact OE2-OG1 3.2Å; R360-T362 HydrophobicContact CB-CG2 4.34Å
363M91.5Very high95.5Very high30 Ų3046.1 Ų46.115%0.14824%0.24CC..SBendtrans-99.6154.3176.5-64.4179.2-70.400112T177 Y181 F198 E336 V338 R361 A365 C368T177-M363 HydrophobicContact CG2-CE 3.51Å; T177-M363 HydrophobicContact CG2-SD 4.02Å; Y181-M363 HydrophobicContact CD2-CE 4.12Å; Y181-M363 HydrophobicContact CD2-CG 4.18Å; Y181-M363 HydrophobicContact CD2-SD 4.01Å; Y181-M363 HydrophobicContact CG-SD 4.4Å; F198-M363 HydrophobicContact CD1-CE 3.73Å; F198-M363 HydrophobicContact CE1-CE 3.56Å; E336-M363 HydrophobicContact CB-CE 4.11Å; V338-M363 HydrophobicContact CG1-CE 3.88Å; R361-M363 PolarHBondContact O-N 2.87Å; M363-A365 PolarHBondContact O-N 2.97Å; M363-A365 VanDerWaalsContact O-N 3.13Å; M363-C368 HydrophobicContact CB-CB 4.37Å; M363-C368 HydrophobicContact SD-CB 4.28Å
364N92.5Very high95.5Very high74 Ų7441 Ų4140%0.39621%0.212SC..  trans-66.5111.1164.1-178.1-37.5000109.5S366 E367 C368N364-S366 PolarHBondContact O-N 3.05Å; N364-S366 PolarHBondContact OD1-N 3.08Å; N364-E367 HydrophobicContact CB-CB 4.06Å; N364-E367 HydrophobicContact CB-CG 4.39Å; N364-E367 WeakPolarHBondContact ND2-CG 3.22Å; N364-E367 PolarHBondContact ND2-OE1 3.13Å; N364-E367 PolarHBondContact O-N 3.42Å; N364-E367 PolarHBondContact OD1-N 3.12Å; N364-E367 VanDerWaalsContact OD1-N 3.09Å; N364-C368 WeakPolarHBondContact O-CB 3.18Å; N364-C368 PolarHBondContact O-N 2.76Å; N364-C368 VanDerWaalsContact O-N 3.11Å
365A90.6Very high95.4Very high15 Ų1540 Ų4012%0.12421%0.208CC..THydrogen-bonded Turntrans-65.3-15.4-172.700000115.5V338 G339 M363V338-A365 HydrophobicContact CB-CB 4.27Å; G339-A365 PolarHBondContact N-O 2.82Å; M363-A365 PolarHBondContact O-N 2.97Å; M363-A365 VanDerWaalsContact O-N 3.13Å
366S90Very high95.3Very high18 Ų1839.9 Ų39.913%0.12621%0.208CC..THydrogen-bonded Turntrans-93-51.9170-59.50000110.1I14 E34 N364 C368I14-S366 WeakPolarHBondContact CD1-O 3.45Å; E34-S366 WeakPolarHBondContact OE1-CB 3.49Å; E34-S366 PolarHBondContact OE1-OG 3.48Å; N364-S366 PolarHBondContact O-N 3.05Å; N364-S366 PolarHBondContact OD1-N 3.08Å; S366-C368 VanDerWaalsContact C-N 3.35Å; S366-C368 PolarHBondContact O-N 3.37Å
367E94.8Very high95.3Very high12 Ų1236.6 Ų36.66%0.05617%0.174CC..THydrogen-bonded Turntrans-74.5-17-167.9-63.5180-153.600115.4V25 R33 N364 V369 A370 R371V25-E367 HydrophobicContact CB-CG 4.21Å; V25-E367 HydrophobicContact CG1-CG 4.31Å; V25-E367 HydrophobicContact CG2-CB 3.8Å; V25-E367 HydrophobicContact CG2-CG 3.79Å; R33-E367 WeakPolarHBondContact CD-OE1 3.45Å; R33-E367 IonicContact CZ-OE1 2.64Å; R33-E367 IonicContact CZ-OE2 2.75Å; R33-E367 IonicContact NE-OE1 3.38Å; R33-E367 IonicContact NH1-OE1 3.47Å; R33-E367 PolarHBondContact NH1-OE1 2.96Å; R33-E367 IonicContact NH1-OE2 3.67Å; R33-E367 PolarHBondContact NH1-OE2 3.23Å; N364-E367 HydrophobicContact CB-CB 4.06Å; N364-E367 HydrophobicContact CB-CG 4.39Å; N364-E367 WeakPolarHBondContact ND2-CG 3.22Å; N364-E367 PolarHBondContact ND2-OE1 3.13Å; N364-E367 PolarHBondContact O-N 3.42Å; N364-E367 PolarHBondContact OD1-N 3.12Å; N364-E367 VanDerWaalsContact OD1-N 3.09Å; E367-V369 PolarHBondContact O-N 3.33Å; E367-A370 PolarHBondContact O-N 3.14Å; E367-R371 HydrophobicContact CB-CG 4.37Å; E367-R371 WeakPolarHBondContact O-CB 3.42Å; E367-R371 VanDerWaalsContact O-CG 3.25Å; E367-R371 WeakPolarHBondContact O-CG 3.28Å; E367-R371 PolarHBondContact O-N 2.99Å; E367-R371 IonicContact OE2-CZ 2.14Å; E367-R371 IonicContact OE2-NE 3.12Å; E367-R371 PolarHBondContact OE2-NE 2.77Å; E367-R371 IonicContact OE2-NH2 3.72Å; E367-R371 PolarHBondContact OE2-NH2 3.05Å
368C95.6Very high95.2Very high4 Ų433.6 Ų33.63%0.02716%0.162CC..Hα-helixtrans-59-40-169.760.10000114.9T177 M363 N364 S366 G372T177-C368 HydrophobicContact CG2-CB 4.29Å; M363-C368 HydrophobicContact CB-CB 4.37Å; M363-C368 HydrophobicContact SD-CB 4.28Å; N364-C368 WeakPolarHBondContact O-CB 3.18Å; N364-C368 PolarHBondContact O-N 2.76Å; N364-C368 VanDerWaalsContact O-N 3.11Å; S366-C368 VanDerWaalsContact C-N 3.35Å; S366-C368 PolarHBondContact O-N 3.37Å; C368-G372 PolarHBondContact O-N 2.96Å
369V97.8Very high95.1Very high10 Ų1028.8 Ų28.86%0.06114%0.14CC..Hα-helixtrans-65-56.1178.8176.10000110.7D7 E173 A176 E367 R371 G372 C373D7-V369 HydrophobicContact CB-CB 3.95Å; D7-V369 HydrophobicContact CB-CG1 3.7Å; E173-V369 HydrophobicContact CB-CG1 4.29Å; E173-V369 HydrophobicContact CB-CG2 4.08Å; E173-V369 HydrophobicContact CG-CG1 3.82Å; E173-V369 HydrophobicContact CG-CG2 4.26Å; A176-V369 HydrophobicContact CB-CG1 4.48Å; E367-V369 PolarHBondContact O-N 3.33Å; V369-R371 VanDerWaalsContact C-N 3.31Å; V369-R371 PolarHBondContact O-N 3.21Å; V369-G372 WeakPolarHBondContact O-CA 3.48Å; V369-G372 PolarHBondContact O-N 3.46Å; V369-G372 VanDerWaalsContact O-N 3.07Å; V369-C373 PolarHBondContact O-N 3.29Å; V369-C373 PolarHBondContact O-SG 3.48Å; V369-C373 VanDerWaalsContact O-SG 3.4Å
370A98.1Very high94.9Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-59.8-42.4-178.300000111.5D7 I14 A16 E367 G372 C373 A374D7-A370 HydrophobicContact CB-CB 3.99Å; I14-A370 HydrophobicContact CB-CB 3.93Å; I14-A370 HydrophobicContact CG2-CB 3.65Å; A16-A370 HydrophobicContact CB-CB 3.88Å; A16-A370 WeakPolarHBondContact CB-O 3.21Å; E367-A370 PolarHBondContact O-N 3.14Å; A370-G372 PolarHBondContact O-N 3.41Å; A370-C373 PolarHBondContact O-N 2.88Å; A370-A374 PolarHBondContact O-N 2.93Å
371R97.1Very high94.6Very high54 Ų5426.5 Ų26.520%0.20414%0.136CC..Hα-helixtrans-58.9-44.9173.6-72.7173.6173.2-77.7-5.4111.8I23 V25 E367 V369 A374 L375I23-R371 HydrophobicContact CG2-CB 4.32Å; I23-R371 HydrophobicContact CG2-CG 4.23Å; I23-R371 PolarHBondContact O-NH1 3.32Å; V25-R371 HydrophobicContact CG2-CG 3.89Å; E367-R371 HydrophobicContact CB-CG 4.37Å; E367-R371 WeakPolarHBondContact O-CB 3.42Å; E367-R371 VanDerWaalsContact O-CG 3.25Å; E367-R371 WeakPolarHBondContact O-CG 3.28Å; E367-R371 PolarHBondContact O-N 2.99Å; E367-R371 IonicContact OE2-CZ 2.14Å; E367-R371 IonicContact OE2-NE 3.12Å; E367-R371 PolarHBondContact OE2-NE 2.77Å; E367-R371 IonicContact OE2-NH2 3.72Å; E367-R371 PolarHBondContact OE2-NH2 3.05Å; V369-R371 VanDerWaalsContact C-N 3.31Å; V369-R371 PolarHBondContact O-N 3.21Å; R371-A374 PolarHBondContact O-N 2.94Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 2.99Å
372G97.2Very high94.2Very high0 Ų026.9 Ų26.90%015%0.152CC..Hα-helixtrans-61.2-42.817500000113.4A176 C368 V369 A370 L375 E376A176-G372 VanDerWaalsContact O-CA 3.28Å; A176-G372 WeakPolarHBondContact O-CA 3.45Å; C368-G372 PolarHBondContact O-N 2.96Å; V369-G372 WeakPolarHBondContact O-CA 3.48Å; V369-G372 PolarHBondContact O-N 3.46Å; V369-G372 VanDerWaalsContact O-N 3.07Å; A370-G372 PolarHBondContact O-N 3.41Å; G372-L375 WeakPolarHBondContact O-CB 3.21Å; G372-L375 PolarHBondContact O-N 3.45Å; G372-E376 PolarHBondContact O-N 3.22Å
373C98.3Very high93.8Very high0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-63.9-39.9174.2-66.80000112.1C141 G143 V369 A370 E376 C377C141-C373 HydrophobicContact CB-CB 4.11Å; C141-C373 VanDerWaalsContact CB-O 3.3Å; C141-C373 WeakPolarHBondContact CB-O 3.29Å; G143-C373 VanDerWaalsContact CA-SG 3.57Å; G143-C373 PolarHBondContact N-SG 3.45Å; G143-C373 VanDerWaalsContact N-SG 3.37Å; V369-C373 PolarHBondContact O-N 3.29Å; V369-C373 PolarHBondContact O-SG 3.48Å; V369-C373 VanDerWaalsContact O-SG 3.4Å; A370-C373 PolarHBondContact O-N 2.88Å; C373-E376 PolarHBondContact O-N 2.8Å; C373-C377 WeakPolarHBondContact O-CB 3.3Å; C373-C377 PolarHBondContact O-N 3.15Å
374A96.9Very high93.4Very high0 Ų029.2 Ų29.20%016%0.162CC..Hα-helixtrans-70-33.5177.700000112.1V3 A16 I23 A370 R371 A378V3-A374 VanDerWaalsContact CG1-O 3.31Å; V3-A374 WeakPolarHBondContact CG1-O 2.98Å; A16-A374 HydrophobicContact CB-CB 3.83Å; I23-A374 HydrophobicContact CD1-CB 4.08Å; I23-A374 HydrophobicContact CG2-CB 3.65Å; A370-A374 PolarHBondContact O-N 2.93Å; R371-A374 PolarHBondContact O-N 2.94Å; A374-A378 WeakPolarHBondContact O-CB 3.43Å; A374-A378 PolarHBondContact O-N 2.91Å
375L95.7Very high93Very high11 Ų1135.9 Ų35.96%0.05819%0.187CC..Hα-helixtrans-62.9-46.2169.8-72.8166.9000111.9I23 L179 A180 I183 Y184 R371 G372 A378 I379I23-L375 HydrophobicContact CD1-CD2 4.38Å; I23-L375 HydrophobicContact CG1-CD2 3.61Å; I23-L375 HydrophobicContact CG1-CG 3.92Å; L179-L375 HydrophobicContact CD2-CB 3.7Å; L179-L375 HydrophobicContact CG-CB 4.01Å; L179-L375 HydrophobicContact CG-CD1 4.17Å; A180-L375 HydrophobicContact CB-CD1 4.41Å; I183-L375 HydrophobicContact CD1-CD2 4.32Å; I183-L375 HydrophobicContact CG2-CD1 3.65Å; I183-L375 HydrophobicContact CG2-CD2 4.08Å; I183-L375 HydrophobicContact CG2-CG 4.5Å; Y184-L375 HydrophobicContact CE2-CD1 4.14Å; R371-L375 WeakPolarHBondContact O-CG 3.49Å; R371-L375 PolarHBondContact O-N 2.99Å; G372-L375 WeakPolarHBondContact O-CB 3.21Å; G372-L375 PolarHBondContact O-N 3.45Å; L375-A378 WeakPolarHBondContact O-CB 3.48Å; L375-A378 PolarHBondContact O-N 2.89Å; L375-I379 WeakPolarHBondContact O-CG1 3.4Å; L375-I379 PolarHBondContact O-N 3.29Å
376E96.6Very high92.8Very high4 Ų438 Ų382%0.01920%0.199CC..Hα-helixtrans-64.1-41.1176.7-177.667-166.600111.7R169 F171 L179 G372 C373 A378 I379 L380R169-E376 HydrophobicContact CB-CG 4.43Å; R169-E376 WeakPolarHBondContact CD-OE1 3.39Å; R169-E376 IonicContact CZ-OE1 2.88Å; R169-E376 IonicContact NE-OE1 2.57Å; R169-E376 IonicContact NH1-OE1 3.97Å; R169-E376 PolarHBondContact NH1-OE1 3.33Å; R169-E376 IonicContact NH1-OE2 3.71Å; F171-E376 HydrophobicContact CD1-CB 3.76Å; F171-E376 HydrophobicContact CD1-CG 3.91Å; F171-E376 HydrophobicContact CD2-CG 4.44Å; F171-E376 HydrophobicContact CE1-CB 3.53Å; F171-E376 HydrophobicContact CE1-CG 3.86Å; F171-E376 HydrophobicContact CE2-CG 4.4Å; F171-E376 HydrophobicContact CG-CG 4.21Å; F171-E376 HydrophobicContact CZ-CB 4.15Å; F171-E376 HydrophobicContact CZ-CG 4.12Å; L179-E376 HydrophobicContact CD2-CB 4.04Å; G372-E376 PolarHBondContact O-N 3.22Å; C373-E376 PolarHBondContact O-N 2.8Å; E376-A378 VanDerWaalsContact C-N 3.27Å; E376-A378 PolarHBondContact O-N 3.18Å; E376-I379 PolarHBondContact O-N 3.47Å; E376-L380 HydrophobicContact CG-CD1 4.08Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 WeakPolarHBondContact O-CG 3.48Å; E376-L380 PolarHBondContact O-N 2.95Å
377C96.2Very high92.7Very high0 Ų043.1 Ų43.10%022%0.215CC..Hα-helixtrans-62.3-34.7173.4-173.90000111.8V3 V4 C141 C373 S381V3-C377 HydrophobicContact CG1-CB 4.01Å; V4-C377 PolarHBondContact N-SG 3.45Å; C141-C377 HydrophobicContact CB-CB 4Å; C141-C377 VanDerWaalsContact SG-CA 3.58Å; C373-C377 WeakPolarHBondContact O-CB 3.3Å; C373-C377 PolarHBondContact O-N 3.15Å; C377-S381 WeakPolarHBondContact O-CB 3.45Å; C377-S381 PolarHBondContact O-N 3.2Å; C377-S381 VanDerWaalsContact O-N 3.12Å
378A94.1Very high92.5Very high2 Ų251.2 Ų51.22%0.01725%0.253CS..Hα-helixtrans-68.6-42.7173.100000112.3V3 A374 L375 E376 L380 S381 V386V3-A378 HydrophobicContact CG1-CB 3.83Å; A374-A378 WeakPolarHBondContact O-CB 3.43Å; A374-A378 PolarHBondContact O-N 2.91Å; L375-A378 WeakPolarHBondContact O-CB 3.48Å; L375-A378 PolarHBondContact O-N 2.89Å; E376-A378 VanDerWaalsContact C-N 3.27Å; E376-A378 PolarHBondContact O-N 3.18Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.15Å; A378-S381 PolarHBondContact O-N 3.05Å; A378-V386 HydrophobicContact CB-CG1 3.54Å
379I94Very high92.4Very high56 Ų5651.7 Ų51.729%0.28725%0.254SS..Hα-helixtrans-61.2-38.5175.8-69.8163.5000111.4L179 L375 E376 V386 V391L179-I379 HydrophobicContact CD1-CD1 4.21Å; L179-I379 HydrophobicContact CD2-CD1 3.96Å; L375-I379 WeakPolarHBondContact O-CG1 3.4Å; L375-I379 PolarHBondContact O-N 3.29Å; E376-I379 PolarHBondContact O-N 3.47Å; I379-V386 HydrophobicContact CB-CG2 4.46Å; I379-V386 HydrophobicContact CG1-CG2 3.82Å; I379-V391 HydrophobicContact CD1-CG2 4.32Å
380L93.9Very high92.3Very high59 Ų5957 Ų5731%0.30928%0.279SS..Hα-helixtrans-84.6-8.9-179.3-64.4173.5000113.8L168 R169 E376 A378 I482L168-L380 HydrophobicContact CB-CB 4.28Å; L168-L380 HydrophobicContact CB-CD1 3.95Å; L168-L380 HydrophobicContact CD1-CB 3.95Å; R169-L380 HydrophobicContact CB-CD1 3.73Å; E376-L380 HydrophobicContact CG-CD1 4.08Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 WeakPolarHBondContact O-CG 3.48Å; E376-L380 PolarHBondContact O-N 2.95Å; A378-L380 VanDerWaalsContact C-N 3.3Å; A378-L380 PolarHBondContact O-N 3.15Å; L380-I482 HydrophobicContact CD1-CD1 4.19Å; L380-I482 HydrophobicContact CD2-CD1 4.06Å
381S89.3Confident92.3Very high9 Ų958.2 Ų58.26%0.06329%0.286CS..  trans-79.8126.4-179.3-178.80000111.7M1 C377 A378 T383M1-S381 PolarHBondContact SD-OG 2.72Å; C377-S381 WeakPolarHBondContact O-CB 3.45Å; C377-S381 PolarHBondContact O-N 3.2Å; C377-S381 VanDerWaalsContact O-N 3.12Å; A378-S381 PolarHBondContact O-N 3.05Å; S381-T383 PolarHBondContact O-N 2.69Å; S381-T383 PolarHBondContact OG-N 3.1Å; S381-T383 PolarHBondContact OG-OG1 2.81Å
382P85.5Confident92.2Very high117 Ų11759 Ų5976%0.7629%0.294SS*.SBendtrans-67.1-6.3172.129.1-36.5000113.8M1M1-P382 HydrophobicContact CE-CG 3.99Å; M1-P382 HydrophobicContact SD-CG 4.27Å
383T84.7Confident92.2Very high86 Ų8659.3 Ų59.353%0.52830%0.296SS..SBendtrans-108.4-23-176.959.60000114.6M1 S381M1-T383 HydrophobicContact CB-CG2 4.48Å; S381-T383 PolarHBondContact O-N 2.69Å; S381-T383 PolarHBondContact OG-N 3.1Å; S381-T383 PolarHBondContact OG-OG1 2.81Å
384F83.5Confident91.9Very high83 Ų8359.7 Ų59.736%0.36430%0.299SS..  trans-98.7118.3179.8-83-104.2000111V3 A18V3-F384 HydrophobicContact CB-CD2 4.44Å; V3-F384 HydrophobicContact CB-CE2 4.29Å; V3-F384 HydrophobicContact CB-CZ 4.48Å; V3-F384 HydrophobicContact CG2-CB 4.47Å; V3-F384 HydrophobicContact CG2-CD1 4.45Å; V3-F384 HydrophobicContact CG2-CD2 3.4Å; V3-F384 VanDerWaalsContact CG2-CD2 3.4Å; V3-F384 HydrophobicContact CG2-CE2 3.62Å; V3-F384 HydrophobicContact CG2-CG 3.86Å; V3-F384 HydrophobicContact CG2-CZ 4.23Å; A18-F384 HydrophobicContact CB-CD1 4.18Å; A18-F384 HydrophobicContact CB-CE1 3.65Å; A18-F384 HydrophobicContact CB-CZ 4.2Å
385K82.2Confident91.9Very high213 Ų21359.7 Ų59.793%0.92630%0.299SS*.  trans-84.6114.9169.1-68.8-172.1177.6-1760109.7
386V87.3Confident91.7Very high61 Ų6159.3 Ų59.337%0.3730%0.298SS..  trans-107168175.5-66.30000111.5A378 I379A378-V386 HydrophobicContact CB-CG1 3.54Å; I379-V386 HydrophobicContact CB-CG2 4.46Å; I379-V386 HydrophobicContact CG1-CG2 3.82Å
387R87.3Confident91.6Very high125 Ų12559.6 Ų59.647%0.47230%0.299SS..  trans-61133166.4-178.4-174.2-174.6-164.73.1108.7I183 K185 F389I183-R387 PolarHBondContact O-NH1 3.42Å; K185-R387 PolarHBondContact O-NH1 2.81Å; R387-F389 PolarHBondContact O-N 2.94Å; R387-F389 VanDerWaalsContact O-N 3.16Å
388E90.6Very high91.5Very high182 Ų18260.6 Ų60.685%0.8531%0.306SS*.  trans-58.6120173.4-68.5-174177.900110.6
389F94.6Very high91.6Very high13 Ų1360.6 Ų60.66%0.05731%0.306CS..  trans-150.4116.6176-162.5-80.1000109.5L179 G182 I183 L188 Y213 G216 L218 R387 V391L179-F389 HydrophobicContact CD1-CD1 3.84Å; L179-F389 HydrophobicContact CD1-CE1 4.24Å; G182-F389 WeakPolarHBondContact O-CE2 3.39Å; I183-F389 HydrophobicContact CB-CD2 4.24Å; I183-F389 HydrophobicContact CB-CG 4.35Å; I183-F389 HydrophobicContact CD1-CB 3.95Å; I183-F389 HydrophobicContact CD1-CG 4.43Å; I183-F389 HydrophobicContact CG1-CB 3.99Å; I183-F389 HydrophobicContact CG1-CD2 4.05Å; I183-F389 HydrophobicContact CG1-CG 4.07Å; L188-F389 HydrophobicContact CD1-CE2 4.04Å; L188-F389 HydrophobicContact CD1-CZ 4.4Å; Y213-F389 HydrophobicContact CD1-CZ 4.31Å; G216-F389 CarbonylContact O-C 3.53Å; G216-F389 WeakPolarHBondContact O-CA 3.41Å; L218-F389 HydrophobicContact CB-CE1 3.93Å; L218-F389 HydrophobicContact CB-CZ 4.28Å; L218-F389 HydrophobicContact CD2-CE1 3.95Å; L218-F389 HydrophobicContact CG-CE1 3.93Å; R387-F389 PolarHBondContact O-N 2.94Å; R387-F389 VanDerWaalsContact O-N 3.16Å; F389-V391 HydrophobicContact CD1-CG2 4.31Å
390Q95.5Very high91.7Very high123 Ų12357.9 Ų57.958%0.57529%0.292SS*.EExtended strand (participates in β ladder)trans-86136.4-176.5-59.1-176.13.200111.8G216 Q217 L218G216-Q390 PolarHBondContact O-N 2.94Å; Q217-Q390 WeakPolarHBondContact CA-O 3.27Å; Q217-Q390 HydrophobicContact CB-CB 3.92Å; L218-Q390 PolarHBondContact N-O 3.23Å
391V97.2Very high91.8Very high24 Ų2455.1 Ų55.115%0.14528%0.278CS..EExtended strand (participates in β ladder)trans-118.684.6-174.7-175.40000110.4F171 T175 L179 L218 I379 F389 D393F171-V391 HydrophobicContact CE2-CG1 4Å; F171-V391 HydrophobicContact CZ-CG1 3.91Å; T175-V391 HydrophobicContact CG2-CG1 4Å; L179-V391 HydrophobicContact CD1-CG2 3.83Å; L179-V391 HydrophobicContact CD2-CG2 4.23Å; L179-V391 HydrophobicContact CG-CG2 4.5Å; L218-V391 HydrophobicContact CD1-CG1 4.07Å; L218-V391 HydrophobicContact CG-CG1 4.44Å; I379-V391 HydrophobicContact CD1-CG2 4.32Å; F389-V391 HydrophobicContact CD1-CG2 4.31Å; V391-D393 PolarHBondContact O-N 3.49Å; V391-D393 VanDerWaalsContact O-N 3.1Å
392N96.5Very high92Very high71 Ų7155.2 Ų55.238%0.3828%0.278SS..EExtended strand (participates in β ladder)trans-84.781.9-178.4-66.3-51.3000111L218 K219 I220L218-N392 WeakPolarHBondContact O-CB 3.39Å; L218-N392 PolarHBondContact O-N 3.13Å; K219-N392 WeakPolarHBondContact CA-O 3.49Å; K219-N392 HydrophobicContact CB-CB 4.03Å; K219-N392 HydrophobicContact CG-CB 4.04Å; I220-N392 PolarHBondContact N-O 3.39Å
393D95.9Very high92.4Very high7 Ų750.9 Ų50.94%0.03725%0.247CC..  trans-85.7148.6178.5-168.323.3000112.2R169 H172 T175 H223 V391R169-D393 IonicContact NH2-OD2 3.82Å; R169-D393 PolarHBondContact NH2-OD2 3.38Å; H172-D393 IonicContact CE1-OD1 2.71Å; H172-D393 PolarHBondContact CE1-OD1 2.85Å; H172-D393 IonicContact CE1-OD2 3.65Å; H172-D393 PolarHBondContact CE1-OD2 2.58Å; H172-D393 IonicContact ND1-OD1 3.43Å; H172-D393 PolarHBondContact ND1-OD1 3.06Å; H172-D393 VanDerWaalsContact ND1-OD1 3.12Å; H172-D393 IonicContact ND1-OD2 2.66Å; H172-D393 PolarHBondContact ND1-OD2 3.47Å; H172-D393 IonicContact NE2-OD1 3.85Å; H172-D393 IonicContact NE2-OD2 2.73Å; H172-D393 PolarHBondContact NE2-OD2 3.16Å; T175-D393 HydrophobicContact CG2-CB 3.97Å; T175-D393 PolarHBondContact OG1-OD1 3.37Å; H223-D393 IonicContact NE2-OD1 3.06Å; H223-D393 PolarHBondContact NE2-OD1 2.85Å; V391-D393 PolarHBondContact O-N 3.49Å; V391-D393 VanDerWaalsContact O-N 3.1Å
394G93.3Very high92.6Very high7 Ų754 Ų547%0.07225%0.253CS..BIsolated β-bridgetrans-118.2132.9-176.800000112.3H172 H223H172-G394 PolarHBondContact NE2-O 3.33Å; H223-G394 PolarHBondContact CD2-O 2.91Å
395F95.3Very high92.6Very high0 Ų051.3 Ų51.30%024%0.244CC..  trans-69.9128.8177.8-171.6-111.2000111.4F397 I399 G421 N422 L424 L480 G484F395-F397 VanDerWaalsContact C-N 3.33Å; F395-F397 HydrophobicContact CD1-CB 4.44Å; F395-F397 VanDerWaalsContact CD1-O 3.26Å; F395-F397 WeakPolarHBondContact CD1-O 3.47Å; F395-F397 HydrophobicContact CE1-CB 3.9Å; F395-F397 HydrophobicContact CE1-CD2 4.05Å; F395-F397 HydrophobicContact CE1-CG 4.49Å; F395-F397 HydrophobicContact CE2-CD2 4.47Å; F395-F397 AromaticContact CZ-CD2 3.85Å; F395-F397 HydrophobicContact CZ-CD2 3.85Å; F395-F397 PolarHBondContact O-N 3.4Å; F395-I399 HydrophobicContact CD1-CG1 4.41Å; F395-I399 HydrophobicContact CE1-CD1 3.94Å; F395-I399 HydrophobicContact CE1-CG1 3.68Å; F395-I399 HydrophobicContact CZ-CD1 4.49Å; F395-G421 PolarHBondContact O-N 3.2Å; F395-N422 WeakPolarHBondContact CB-O 3.43Å; F395-N422 PolarHBondContact N-O 2.96Å; F395-L424 HydrophobicContact CB-CD1 4.49Å; F395-L424 HydrophobicContact CB-CD2 4Å; F395-L424 HydrophobicContact CB-CG 4.19Å; F395-L424 HydrophobicContact CD2-CD1 4.37Å; F395-L424 HydrophobicContact CD2-CD2 3.95Å; F395-L424 HydrophobicContact CG-CD2 4.28Å; F395-L480 HydrophobicContact CB-CD2 3.78Å; F395-L480 HydrophobicContact CD1-CD1 4.28Å; F395-L480 HydrophobicContact CD1-CD2 3.96Å; F395-L480 HydrophobicContact CD2-CD1 4.1Å; F395-L480 HydrophobicContact CD2-CD2 4.19Å; F395-L480 HydrophobicContact CE1-CD1 4.18Å; F395-L480 HydrophobicContact CE2-CD1 3.99Å; F395-L480 HydrophobicContact CG-CD1 4.25Å; F395-L480 HydrophobicContact CG-CD2 3.71Å; F395-L480 HydrophobicContact CZ-CD1 4.02Å; F395-G484 WeakPolarHBondContact CE2-O 3.5Å
396P92.7Very high92.1Very high4 Ų443.2 Ų43.23%0.02621%0.21CC..SBendtrans-81.8-1.3-163.931-36.9000115.8V146 H223 K420V146-P396 HydrophobicContact CG2-CB 3.66Å; V146-P396 HydrophobicContact CG2-CG 3.66Å; V146-P396 VanDerWaalsContact O-CG 3.29Å; V146-P396 WeakPolarHBondContact O-CG 3.39Å; H223-P396 HydrophobicContact CB-CB 4.28Å; P396-K420 WeakPolarHBondContact O-CD 3.46Å; P396-K420 VanDerWaalsContact O-CE 3.22Å; P396-K420 WeakPolarHBondContact O-CE 3.25Å; P396-K420 WeakPolarHBondContact O-CG 3.35Å; P396-K420 PolarHBondContact O-NZ 3.27Å
397F93.4Very high91.3Very high9 Ų943.7 Ų43.74%0.03922%0.216CC..SBendtrans-126.8153.6-178.1-49.6-69.3000112.2F395 Y444 I452F395-F397 VanDerWaalsContact C-N 3.33Å; F395-F397 HydrophobicContact CD1-CB 4.44Å; F395-F397 VanDerWaalsContact CD1-O 3.26Å; F395-F397 WeakPolarHBondContact CD1-O 3.47Å; F395-F397 HydrophobicContact CE1-CB 3.9Å; F395-F397 HydrophobicContact CE1-CD2 4.05Å; F395-F397 HydrophobicContact CE1-CG 4.49Å; F395-F397 HydrophobicContact CE2-CD2 4.47Å; F395-F397 AromaticContact CZ-CD2 3.85Å; F395-F397 HydrophobicContact CZ-CD2 3.85Å; F395-F397 PolarHBondContact O-N 3.4Å; F397-Y444 HydrophobicContact CB-CD1 3.82Å; F397-Y444 HydrophobicContact CB-CE1 3.99Å; F397-Y444 HydrophobicContact CD2-CD1 4.49Å; F397-Y444 AromaticContact CD2-CE1 3.88Å; F397-Y444 HydrophobicContact CD2-CE1 3.88Å; F397-Y444 HydrophobicContact CG-CD1 4.11Å; F397-Y444 AromaticContact CG-CE1 3.96Å; F397-Y444 HydrophobicContact CG-CE1 3.96Å; F397-I452 HydrophobicContact CD1-CD1 4.47Å; F397-I452 HydrophobicContact CE1-CD1 3.8Å; F397-I452 HydrophobicContact CZ-CD1 4.31Å
398S94.7Very high89.9Confident22 Ų2247 Ų4715%0.15424%0.238CC..EExtended strand (participates in β ladder)trans-83.8131.4164.7-69.40000110.2F418 K420 Y444 V445S398-F418 CarbonylContact C-O 3.57Å; S398-F418 WeakPolarHBondContact CA-O 3.45Å; S398-K420 PolarHBondContact OG-N 3.5Å; S398-Y444 WeakPolarHBondContact O-CA 3.43Å; S398-V445 PolarHBondContact O-N 3.49Å
399I96.1Very high88.5Confident1 Ų146.3 Ų46.31%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-115.3129.4176-55.9-65.9000109.3F395 V417 F418 V442 T443 Y444 I456 V486F395-I399 HydrophobicContact CD1-CG1 4.41Å; F395-I399 HydrophobicContact CE1-CD1 3.94Å; F395-I399 HydrophobicContact CE1-CG1 3.68Å; F395-I399 HydrophobicContact CZ-CD1 4.49Å; I399-V417 PolarHBondContact O-N 2.9Å; I399-F418 HydrophobicContact CB-CB 4.25Å; I399-F418 HydrophobicContact CB-CD2 4.18Å; I399-F418 HydrophobicContact CG2-CD2 4.26Å; I399-F418 PolarHBondContact N-O 3.06Å; I399-F418 PolarHBondContact O-N 3.31Å; I399-V442 HydrophobicContact CG2-CG1 3.69Å; I399-T443 CarbonylContact C-O 2.99Å; I399-T443 WeakPolarHBondContact CA-O 3.35Å; I399-Y444 HydrophobicContact CD1-CD1 3.58Å; I399-Y444 HydrophobicContact CD1-CE1 3.58Å; I399-Y444 HydrophobicContact CD1-CG 4.47Å; I399-I456 HydrophobicContact CD1-CD1 3.63Å; I399-V486 HydrophobicContact CD1-CG2 4.24Å; I399-V486 HydrophobicContact CG1-CG2 4.02Å; I399-V486 HydrophobicContact CG2-CG1 4.35Å; I399-V486 HydrophobicContact CG2-CG2 4.12Å
400A96Very high87Confident0 Ų047.1 Ų47.10%025%0.252CS..EExtended strand (participates in β ladder)trans-117164.1170.600000112.3Q414 T415 V416 T443 V445A400-Q414 HydrophobicContact CB-CG 3.78Å; A400-T415 CarbonylContact C-O 3.54Å; A400-T415 WeakPolarHBondContact CA-O 3.4Å; A400-T415 VanDerWaalsContact CB-O 3.22Å; A400-T415 WeakPolarHBondContact CB-O 3.31Å; A400-V416 HydrophobicContact CB-CG2 4.44Å; A400-T443 PolarHBondContact N-O 2.96Å; A400-T443 PolarHBondContact O-N 3.08Å; A400-V445 HydrophobicContact CB-CG2 3.33Å
401M96Very high86.1Confident1 Ų148.5 Ų48.51%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-112.4142.7163.3-76.9168.972.300109.3W403 Q414 T415 V417 L430 V440 D441 V442 V478 V488M401-W403 HydrophobicContact CB-CE3 4.26Å; M401-W403 HydrophobicContact CB-CZ3 4Å; M401-W403 WeakPolarHBondContact O-CZ3 3.43Å; M401-Q414 CarbonylContact O-C 3.54Å; M401-Q414 VanDerWaalsContact O-CA 3.31Å; M401-Q414 WeakPolarHBondContact O-CA 3.27Å; M401-T415 PolarHBondContact N-O 3.07Å; M401-T415 PolarHBondContact O-N 3.09Å; M401-V417 HydrophobicContact CB-CG2 4.05Å; M401-V417 HydrophobicContact CG-CG2 3.94Å; M401-V417 HydrophobicContact SD-CG2 3.91Å; M401-L430 HydrophobicContact CB-CD1 4.22Å; M401-L430 HydrophobicContact CE-CD1 3.99Å; M401-L430 HydrophobicContact SD-CD1 3.69Å; M401-V440 HydrophobicContact CB-CG1 3.78Å; M401-V440 HydrophobicContact CE-CB 4.22Å; M401-V440 HydrophobicContact CE-CG1 3.51Å; M401-V440 HydrophobicContact CG-CG1 4.18Å; M401-D441 CarbonylContact C-O 3.52Å; M401-D441 VanDerWaalsContact CA-O 3.27Å; M401-D441 WeakPolarHBondContact CA-O 3.43Å; M401-V442 HydrophobicContact CG-CG2 4.14Å; M401-V478 HydrophobicContact CE-CG2 3.83Å; M401-V478 HydrophobicContact SD-CB 4.21Å; M401-V478 HydrophobicContact SD-CG1 3.84Å; M401-V478 HydrophobicContact SD-CG2 3.6Å; M401-V488 HydrophobicContact CE-CG2 4.26Å
402S94.1Very high85.4Confident11 Ų1151.7 Ų51.78%0.07728%0.279CS..EExtended strand (participates in β ladder)trans-133.2135.4-176.8-174.30000110.9Q413 V440 D441S402-Q413 CarbonylContact C-O 3.56Å; S402-Q413 VanDerWaalsContact CA-O 3.29Å; S402-Q413 WeakPolarHBondContact CA-O 3.31Å; S402-V440 CarbonylContact O-C 3.55Å; S402-V440 WeakPolarHBondContact O-CA 3.27Å; S402-D441 PolarHBondContact N-O 3.43Å; S402-D441 PolarHBondContact O-N 3.14Å
403W93.7Very high85.1Confident26 Ų2653.2 Ų53.210%0.09828%0.284CS..EExtended strand (participates in β ladder)trans-151.1149.3-17560.386.1000112.7M401 N412 Q413 L430 F432 R434 V440M401-W403 HydrophobicContact CB-CE3 4.26Å; M401-W403 HydrophobicContact CB-CZ3 4Å; M401-W403 WeakPolarHBondContact O-CZ3 3.43Å; W403-N412 WeakPolarHBondContact O-CA 3.36Å; W403-Q413 HydrophobicContact CD2-CB 4.31Å; W403-Q413 HydrophobicContact CZ2-CB 4.01Å; W403-Q413 PolarHBondContact N-O 3.12Å; W403-Q413 PolarHBondContact O-N 2.99Å; W403-L430 HydrophobicContact CZ3-CD1 4.34Å; W403-F432 HydrophobicContact CD2-CD1 4.44Å; W403-F432 AromaticContact CD2-CE1 3.56Å; W403-F432 HydrophobicContact CD2-CE1 3.56Å; W403-F432 HydrophobicContact CD2-CZ 4.4Å; W403-F432 AromaticContact CE2-CE1 3.65Å; W403-F432 AromaticContact CE3-CE1 3.79Å; W403-F432 HydrophobicContact CE3-CE1 3.79Å; W403-F432 HydrophobicContact CE3-CZ 4.2Å; W403-F432 HydrophobicContact CG-CE1 4.02Å; W403-F432 HydrophobicContact CH2-CE1 4.19Å; W403-F432 AromaticContact CZ2-CE1 3.98Å; W403-F432 HydrophobicContact CZ2-CE1 3.98Å; W403-F432 HydrophobicContact CZ3-CE1 4.1Å; W403-F432 HydrophobicContact CZ3-CZ 4.29Å; W403-R434 VanDerWaalsContact CD1-NH2 3.28Å; W403-V440 HydrophobicContact CB-CG1 4.36Å; W403-V440 HydrophobicContact CB-CG2 4.26Å; W403-V440 HydrophobicContact CE3-CG1 4.08Å
404K89.4Confident84.9Confident151 Ų15157.7 Ų57.766%0.65731%0.305SS*.  trans-74.7134.8170.1-70.6-177.6176.9-172.20110.8N412 R434K404-N412 WeakPolarHBondContact CG-OD1 3.38Å; K404-R434 VanDerWaalsContact O-CZ 3.24Å; K404-R434 PolarHBondContact O-NH1 3.07Å; K404-R434 PolarHBondContact O-NH2 2.73Å
405P82.2Confident85Confident26 Ų2660.3 Ų60.317%0.16932%0.319CS..  trans-64.9166.2171.627.9-34.5000111.6S407 G410 D411P405-S407 PolarHBondContact O-N 3.38Å; P405-G410 WeakPolarHBondContact CD-O 3.4Å; P405-D411 WeakPolarHBondContact CD-O 3.41Å
406D71.9Confident85Confident43 Ų4363.8 Ų63.823%0.2334%0.34CS..SBendtrans-68.8-18.5179-99.930.4000113.4R434 S435 K471D406-R434 WeakPolarHBondContact OD1-CD 3.44Å; D406-R434 IonicContact OD1-CZ 3.73Å; D406-R434 IonicContact OD1-NE 3.28Å; D406-R434 IonicContact OD1-NH1 2.82Å; D406-R434 PolarHBondContact OD1-NH1 2.76Å; D406-S435 PolarHBondContact OD2-N 2.94Å; D406-S435 PolarHBondContact OD2-OG 3.25Å; D406-K471 VanDerWaalsContact OD2-CE 3.29Å; D406-K471 WeakPolarHBondContact OD2-CE 3.22Å; D406-K471 IonicContact OD2-NZ 3.14Å; D406-K471 PolarHBondContact OD2-NZ 2.86Å
407S70.8Confident85.2Confident71 Ų7164 Ų6450%0.49734%0.342SS..SBendtrans-80.5121.4172.751.90000110.3P405 N409 G410P405-S407 PolarHBondContact O-N 3.38Å; S407-N409 PolarHBondContact O-N 2.89Å; S407-G410 PolarHBondContact O-N 3.25Å; S407-G410 VanDerWaalsContact O-N 3.07Å
408Q58.9Low85.4Confident196 Ų19663.6 Ų63.692%0.91634%0.34SS*.THydrogen-bonded Turntrans-57.3-22.2-172.1-65.7-176.6-5.300115.4
409N60.7Low85.4Confident167 Ų16765.7 Ų65.789%0.89335%0.353SS*.THydrogen-bonded Turntrans-107.417.7-178.6-660.9000114.1S407S407-N409 PolarHBondContact O-N 2.89Å
410G63.4Low85.2Confident30 Ų3069.1 Ų69.131%0.30937%0.368SS..PPolyproline II helixtrans-95.4139.9178.700000113.3P405 S407P405-G410 WeakPolarHBondContact CD-O 3.4Å; S407-G410 PolarHBondContact O-N 3.25Å; S407-G410 VanDerWaalsContact O-N 3.07Å
411D75.7Confident85.1Confident152 Ų15271.4 Ų71.481%0.81339%0.391SS*.PPolyproline II helixtrans-59.5156.1173.9-71.1-53.4000112.9P405 Q413P405-D411 WeakPolarHBondContact CD-O 3.41Å; D411-Q413 PolarHBondContact O-N 2.82Å
412N82.6Confident85.1Confident91 Ų9172 Ų7249%0.48739%0.394SS..PPolyproline II helixtrans-57.8122.7174.6-82.5-6.5000110.7W403 K404W403-N412 WeakPolarHBondContact O-CA 3.36Å; K404-N412 WeakPolarHBondContact CG-OD1 3.38Å
413Q89.4Confident85.2Confident103 Ų10375.4 Ų75.448%0.48142%0.417SS..EExtended strand (participates in β ladder)trans-81.2135.1168.1-68.5-178.8-25.500109S402 W403 D411S402-Q413 CarbonylContact C-O 3.56Å; S402-Q413 VanDerWaalsContact CA-O 3.29Å; S402-Q413 WeakPolarHBondContact CA-O 3.31Å; W403-Q413 HydrophobicContact CD2-CB 4.31Å; W403-Q413 HydrophobicContact CZ2-CB 4.01Å; W403-Q413 PolarHBondContact N-O 3.12Å; W403-Q413 PolarHBondContact O-N 2.99Å; D411-Q413 PolarHBondContact O-N 2.82Å
414Q92.5Very high85.2Confident101 Ų10175.2 Ų75.247%0.47242%0.417SS..EExtended strand (participates in β ladder)trans-127.9149178.1-171.5175400110.3A400 M401A400-Q414 HydrophobicContact CB-CG 3.78Å; M401-Q414 CarbonylContact O-C 3.54Å; M401-Q414 VanDerWaalsContact O-CA 3.31Å; M401-Q414 WeakPolarHBondContact O-CA 3.27Å
415T95Very high85.5Confident62 Ų6271.5 Ų71.538%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-148.4130174.8-65.90000110A400 M401 V417A400-T415 CarbonylContact C-O 3.54Å; A400-T415 WeakPolarHBondContact CA-O 3.4Å; A400-T415 VanDerWaalsContact CB-O 3.22Å; A400-T415 WeakPolarHBondContact CB-O 3.31Å; M401-T415 PolarHBondContact N-O 3.07Å; M401-T415 PolarHBondContact O-N 3.09Å; T415-V417 PolarHBondContact O-N 3.06Å
416V96.2Very high86.2Confident73 Ų7371.2 Ų71.244%0.44241%0.407SS..EExtended strand (participates in β ladder)trans-69.2122.5171.7-179.60000108.9A400 P419 V445A400-V416 HydrophobicContact CB-CG2 4.44Å; V416-P419 HydrophobicContact CG1-CB 4.2Å; V416-V445 HydrophobicContact CG2-CG2 4.23Å
417V96.7Very high87.5Confident9 Ų972.2 Ų72.26%0.05542%0.415CS..EExtended strand (participates in β ladder)trans-100.9-43.4-175.6-176.80000110.4I399 M401 T415 K428 L430I399-V417 PolarHBondContact O-N 2.9Å; M401-V417 HydrophobicContact CB-CG2 4.05Å; M401-V417 HydrophobicContact CG-CG2 3.94Å; M401-V417 HydrophobicContact SD-CG2 3.91Å; T415-V417 PolarHBondContact O-N 3.06Å; V417-K428 HydrophobicContact CG1-CB 3.63Å; V417-K428 HydrophobicContact CG1-CG 3.68Å; V417-K428 WeakPolarHBondContact O-CE 3.37Å; V417-K428 WeakPolarHBondContact O-CG 3.42Å; V417-L430 HydrophobicContact CG2-CD1 4.06Å
418F96.9Very high88.7Confident0 Ų073.2 Ų73.20%041%0.41CS..EExtended strand (participates in β ladder)trans-125.4102.1174.5-51.6-75.8000107.8S398 I399 N422 K428 V478 L480 V486S398-F418 CarbonylContact C-O 3.57Å; S398-F418 WeakPolarHBondContact CA-O 3.45Å; I399-F418 HydrophobicContact CB-CB 4.25Å; I399-F418 HydrophobicContact CB-CD2 4.18Å; I399-F418 HydrophobicContact CG2-CD2 4.26Å; I399-F418 PolarHBondContact N-O 3.06Å; I399-F418 PolarHBondContact O-N 3.31Å; F418-N422 HydrophobicContact CB-CB 4.24Å; F418-K428 HydrophobicContact CD1-CG 4.18Å; F418-K428 HydrophobicContact CE1-CG 3.71Å; F418-K428 HydrophobicContact CZ-CG 4.21Å; F418-V478 HydrophobicContact CE2-CG1 4.11Å; F418-V478 HydrophobicContact CZ-CG1 4.45Å; F418-L480 HydrophobicContact CB-CD2 4.31Å; F418-L480 HydrophobicContact CD1-CB 3.99Å; F418-L480 HydrophobicContact CD1-CD2 4.32Å; F418-L480 HydrophobicContact CD2-CB 4.1Å; F418-L480 HydrophobicContact CE1-CB 3.82Å; F418-L480 HydrophobicContact CE2-CB 3.95Å; F418-L480 HydrophobicContact CG-CB 4.12Å; F418-L480 HydrophobicContact CG-CD2 4.22Å; F418-L480 HydrophobicContact CZ-CB 3.81Å; F418-V486 HydrophobicContact CE2-CG1 4.27Å
419P94.9Very high90.5Very high66 Ų6666.2 Ų66.243%0.42939%0.385SS..  trans-68.1159.5174.429.5-35.7000110.9V416 G421 N422V416-P419 HydrophobicContact CG1-CB 4.2Å; P419-G421 PolarHBondContact O-N 3.04Å; P419-N422 HydrophobicContact CG-CB 4.38Å; P419-N422 WeakPolarHBondContact O-CB 3.29Å; P419-N422 PolarHBondContact O-N 2.93Å
420K92.4Very high92.2Very high73 Ų7359.8 Ų59.832%0.31735%0.351SS..THydrogen-bonded Turntrans-50.9137.2167.9179.2167-177.2164.50110.5H223 E324 P396 S398 N422H223-K420 PolarHBondContact O-NZ 2.93Å; H223-K420 VanDerWaalsContact O-NZ 3.16Å; E324-K420 IonicContact OE1-NZ 2.78Å; E324-K420 PolarHBondContact OE1-NZ 2.94Å; E324-K420 WeakPolarHBondContact OE2-CE 3.49Å; E324-K420 IonicContact OE2-NZ 3.74Å; E324-K420 PolarHBondContact OE2-NZ 3.05Å; P396-K420 WeakPolarHBondContact O-CD 3.46Å; P396-K420 VanDerWaalsContact O-CE 3.22Å; P396-K420 WeakPolarHBondContact O-CE 3.25Å; P396-K420 WeakPolarHBondContact O-CG 3.35Å; P396-K420 PolarHBondContact O-NZ 3.27Å; S398-K420 PolarHBondContact OG-N 3.5Å; K420-N422 VanDerWaalsContact C-N 3.33Å
421G93.3Very high93.7Very high48 Ų4861.9 Ų61.950%0.49536%0.358SS..THydrogen-bonded Turntrans83.6-3.1-173.900000114.8F395 P419F395-G421 PolarHBondContact O-N 3.2Å; P419-G421 PolarHBondContact O-N 3.04Å
422N96Very high94.6Very high12 Ų1255.1 Ų55.16%0.06432%0.321CS..  trans-59133.6176.2165.997.1000111.2F395 F418 P419 K420 S426 L480F395-N422 WeakPolarHBondContact CB-O 3.43Å; F395-N422 PolarHBondContact N-O 2.96Å; F418-N422 HydrophobicContact CB-CB 4.24Å; P419-N422 HydrophobicContact CG-CB 4.38Å; P419-N422 WeakPolarHBondContact O-CB 3.29Å; P419-N422 PolarHBondContact O-N 2.93Å; K420-N422 VanDerWaalsContact C-N 3.33Å; N422-S426 WeakPolarHBondContact ND2-CB 3.32Å; N422-S426 PolarHBondContact OD1-OG 3.1Å; N422-L480 WeakPolarHBondContact ND2-CD2 3.46Å
423P95.8Very high95Very high84 Ų8457 Ų5755%0.54532%0.323SS..BIsolated β-bridgetrans-59154.3-179.4-27.435.7000115.6P425 S426P423-P425 CarbonylContact O-C 3.51Å; P423-S426 VanDerWaalsContact O-CB 3.3Å; P423-S426 WeakPolarHBondContact O-CB 3.27Å
424L94.2Very high95.2Very high22 Ų2252.7 Ų52.712%0.11530%0.302CS..SBendtrans-111.7128176.2-67.4172.9000111H172 F395 L480H172-L424 WeakPolarHBondContact NE2-CD1 3.42Å; F395-L424 HydrophobicContact CB-CD1 4.49Å; F395-L424 HydrophobicContact CB-CD2 4Å; F395-L424 HydrophobicContact CB-CG 4.19Å; F395-L424 HydrophobicContact CD2-CD1 4.37Å; F395-L424 HydrophobicContact CD2-CD2 3.95Å; F395-L424 HydrophobicContact CG-CD2 4.28Å; L424-L480 HydrophobicContact CD2-CD1 4.31Å; L424-L480 HydrophobicContact CD2-CD2 3.49Å; L424-L480 VanDerWaalsContact CD2-CD2 3.49Å; L424-L480 HydrophobicContact CD2-CG 3.6Å
425P96.4Very high95.1Very high73 Ų7350 Ų5047%0.47429%0.294SS..SBendcis-75.8164.4-11.334-36.3000112.7P423 L480P423-P425 CarbonylContact O-C 3.51Å; P425-L480 CarbonylContact C-O 3.56Å; P425-L480 WeakPolarHBondContact CA-O 3.43Å; P425-L480 WeakPolarHBondContact CB-O 3.47Å
426S97.4Very high95Very high19 Ų1951.4 Ų51.413%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-142.8148.9175.6-179.20000111.6N422 P423 R479 L480N422-S426 WeakPolarHBondContact ND2-CB 3.32Å; N422-S426 PolarHBondContact OD1-OG 3.1Å; P423-S426 VanDerWaalsContact O-CB 3.3Å; P423-S426 WeakPolarHBondContact O-CB 3.27Å; S426-R479 WeakPolarHBondContact O-CA 3.28Å; S426-L480 PolarHBondContact N-O 3.46Å; S426-L480 PolarHBondContact O-N 2.78Å
427V97.7Very high94.9Very high64 Ų6451 Ų5139%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-131.7134178.9175.40000109.4K477 V478 R479V427-K477 HydrophobicContact CG1-CD 4.35Å; V427-K477 HydrophobicContact CG1-CG 3.8Å; V427-V478 WeakPolarHBondContact CA-O 3.45Å; V427-R479 HydrophobicContact CG2-CB 4.23Å; V427-R479 HydrophobicContact CG2-CG 4.08Å
428K97.3Very high94.8Very high93 Ų9351.1 Ų51.140%0.40430%0.297SS..EExtended strand (participates in β ladder)trans-124.9161.8171.3-58.3-65.7-177.3179.70109.7V417 F418 V478V417-K428 HydrophobicContact CG1-CB 3.63Å; V417-K428 HydrophobicContact CG1-CG 3.68Å; V417-K428 WeakPolarHBondContact O-CE 3.37Å; V417-K428 WeakPolarHBondContact O-CG 3.42Å; F418-K428 HydrophobicContact CD1-CG 4.18Å; F418-K428 HydrophobicContact CE1-CG 3.71Å; F418-K428 HydrophobicContact CZ-CG 4.21Å; K428-V478 PolarHBondContact N-O 2.8Å; K428-V478 PolarHBondContact O-N 3.13Å
429A96.1Very high94.8Very high48 Ų4856.8 Ų56.840%0.39732%0.323SS..EExtended strand (participates in β ladder)trans-135.4119.9172.800000110.3K475 V476A429-K475 HydrophobicContact CB-CD 4.39Å; A429-K475 HydrophobicContact CB-CG 4.09Å; A429-V476 CarbonylContact C-O 3.52Å; A429-V476 VanDerWaalsContact CA-O 3.28Å; A429-V476 WeakPolarHBondContact CA-O 3.48Å
430L95.7Very high94.8Very high32 Ų3253.7 Ų53.717%0.16830%0.303CS..EExtended strand (participates in β ladder)trans-95.1147.9175.8-65.9173.5000109.5M401 W403 V417 F432 K475 V476M401-L430 HydrophobicContact CB-CD1 4.22Å; M401-L430 HydrophobicContact CE-CD1 3.99Å; M401-L430 HydrophobicContact SD-CD1 3.69Å; W403-L430 HydrophobicContact CZ3-CD1 4.34Å; V417-L430 HydrophobicContact CG2-CD1 4.06Å; L430-F432 HydrophobicContact CB-CD2 4.34Å; L430-F432 HydrophobicContact CB-CE2 3.53Å; L430-F432 HydrophobicContact CB-CZ 3.88Å; L430-F432 HydrophobicContact CD1-CE2 4.31Å; L430-F432 HydrophobicContact CD1-CZ 3.92Å; L430-K475 WeakPolarHBondContact O-CA 3.29Å; L430-V476 PolarHBondContact N-O 3.23Å; L430-V476 PolarHBondContact O-N 2.95Å
431T95.1Very high95Very high75 Ų7551.6 Ų51.646%0.4630%0.295SS..EExtended strand (participates in β ladder)trans-113.3126.3175.3-55.30000109.5Y433 K473 L474T431-Y433 HydrophobicContact CG2-CE2 4.05Å; T431-K473 HydrophobicContact CG2-CG 4.25Å; T431-L474 CarbonylContact C-O 3.39Å; T431-L474 VanDerWaalsContact CA-O 3.32Å; T431-L474 WeakPolarHBondContact CA-O 3.38Å
432F94Very high95.2Very high9 Ų949.3 Ų49.34%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-118.3149179.4-59.1-90.9000109.9W403 L430 R434 F438 V440 L474 V476W403-F432 HydrophobicContact CD2-CD1 4.44Å; W403-F432 AromaticContact CD2-CE1 3.56Å; W403-F432 HydrophobicContact CD2-CE1 3.56Å; W403-F432 HydrophobicContact CD2-CZ 4.4Å; W403-F432 AromaticContact CE2-CE1 3.65Å; W403-F432 AromaticContact CE3-CE1 3.79Å; W403-F432 HydrophobicContact CE3-CE1 3.79Å; W403-F432 HydrophobicContact CE3-CZ 4.2Å; W403-F432 HydrophobicContact CG-CE1 4.02Å; W403-F432 HydrophobicContact CH2-CE1 4.19Å; W403-F432 AromaticContact CZ2-CE1 3.98Å; W403-F432 HydrophobicContact CZ2-CE1 3.98Å; W403-F432 HydrophobicContact CZ3-CE1 4.1Å; W403-F432 HydrophobicContact CZ3-CZ 4.29Å; L430-F432 HydrophobicContact CB-CD2 4.34Å; L430-F432 HydrophobicContact CB-CE2 3.53Å; L430-F432 HydrophobicContact CB-CZ 3.88Å; L430-F432 HydrophobicContact CD1-CE2 4.31Å; L430-F432 HydrophobicContact CD1-CZ 3.92Å; F432-R434 HydrophobicContact CB-CG 4.03Å; F432-F438 HydrophobicContact CB-CE2 4.46Å; F432-F438 HydrophobicContact CB-CZ 4.06Å; F432-F438 AromaticContact CD1-CE2 3.84Å; F432-F438 HydrophobicContact CD1-CE2 3.84Å; F432-F438 HydrophobicContact CD1-CZ 4.18Å; F432-F438 HydrophobicContact CD2-CE2 4.4Å; F432-F438 HydrophobicContact CD2-CZ 4.04Å; F432-F438 HydrophobicContact CE1-CE2 4.11Å; F432-F438 AromaticContact CG-CE2 3.99Å; F432-F438 HydrophobicContact CG-CE2 3.99Å; F432-F438 AromaticContact CG-CZ 3.84Å; F432-F438 HydrophobicContact CG-CZ 3.84Å; F432-V440 HydrophobicContact CZ-CG2 4.35Å; F432-L474 HydrophobicContact CB-CB 4.38Å; F432-L474 PolarHBondContact N-O 2.79Å; F432-L474 PolarHBondContact O-N 3.2Å; F432-V476 HydrophobicContact CD2-CB 4.21Å; F432-V476 HydrophobicContact CD2-CG2 3.67Å; F432-V476 HydrophobicContact CE2-CB 3.87Å; F432-V476 HydrophobicContact CE2-CG2 3.73Å
433Y92.5Very high95.1Very high131 Ų13149.5 Ų49.551%0.51427%0.273SS..EExtended strand (participates in β ladder)trans-117.3108.3172.8-68.7-87.9000108.5T431 A472 K473T431-Y433 HydrophobicContact CG2-CE2 4.05Å; Y433-A472 WeakPolarHBondContact CA-O 3.5Å; Y433-K473 HydrophobicContact CD1-CB 4.19Å; Y433-K473 HydrophobicContact CD1-CG 4.44Å; Y433-K473 HydrophobicContact CE1-CB 3.81Å; Y433-K473 HydrophobicContact CE1-CD 3.98Å; Y433-K473 HydrophobicContact CE1-CG 3.67Å
434R92.9Very high95.1Very high13 Ų1346.2 Ų46.25%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-134.8136.5-165-66.8-64.5-165.1173.42.5113.6W403 K404 D406 F432 F438 F464 K471 A472 L474W403-R434 VanDerWaalsContact CD1-NH2 3.28Å; K404-R434 VanDerWaalsContact O-CZ 3.24Å; K404-R434 PolarHBondContact O-NH1 3.07Å; K404-R434 PolarHBondContact O-NH2 2.73Å; D406-R434 WeakPolarHBondContact OD1-CD 3.44Å; D406-R434 IonicContact OD1-CZ 3.73Å; D406-R434 IonicContact OD1-NE 3.28Å; D406-R434 IonicContact OD1-NH1 2.82Å; D406-R434 PolarHBondContact OD1-NH1 2.76Å; F432-R434 HydrophobicContact CB-CG 4.03Å; R434-F438 HydrophobicContact CB-CD1 4.25Å; R434-F438 HydrophobicContact CB-CE1 4.44Å; R434-F438 HydrophobicContact CG-CD1 3.66Å; R434-F438 HydrophobicContact CG-CD2 4.4Å; R434-F438 HydrophobicContact CG-CE1 3.71Å; R434-F438 HydrophobicContact CG-CE2 4.39Å; R434-F438 HydrophobicContact CG-CG 4.03Å; R434-F438 HydrophobicContact CG-CZ 4.08Å; R434-F438 VanDerWaalsContact NH2-CD2 3.29Å; R434-F464 HydrophobicContact CB-CE2 4.46Å; R434-F464 HydrophobicContact CB-CZ 3.73Å; R434-F464 WeakPolarHBondContact O-CE2 3.49Å; R434-K471 CarbonylContact O-C 3.57Å; R434-K471 WeakPolarHBondContact O-CA 3.46Å; R434-A472 PolarHBondContact N-O 3.23Å; R434-A472 WeakPolarHBondContact O-CB 3.19Å; R434-A472 PolarHBondContact O-N 3.07Å; R434-L474 HydrophobicContact CB-CD1 3.91Å; R434-L474 HydrophobicContact CG-CD1 4.12Å
435S91.1Very high94.8Very high43 Ų4346.4 Ų46.430%0.30125%0.252SS..SBendtrans-79.8-31.1174.146.40000113.4D406 D470D406-S435 PolarHBondContact OD2-N 2.94Å; D406-S435 PolarHBondContact OD2-OG 3.25Å; S435-D470 WeakPolarHBondContact CB-O 3.49Å
436N91.4Very high93.8Very high92 Ų9249.9 Ų49.949%0.49227%0.267SS..SBendtrans-153.2177.9-172.256.151.4000113.1F438 F464N436-F438 PolarHBondContact O-N 2.92Å; N436-F464 WeakPolarHBondContact O-CE1 3.35Å; N436-F464 WeakPolarHBondContact O-CZ 3.49Å
437T94.8Very high92.4Very high64 Ų6450.7 Ų50.739%0.39327%0.271SS..  trans-51.8124.7175.7-55.40000111.5T460 V461 P463T437-T460 HydrophobicContact CG2-CG2 3.56Å; T437-V461 WeakPolarHBondContact CA-O 3.27Å; T437-P463 WeakPolarHBondContact OG1-CA 3.34Å
438F95Very high90.9Very high12 Ų1251.2 Ų51.25%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-131.1161.6-17673.5-70.6000111.9F432 R434 N436 V440 V461 F464 L474F432-F438 HydrophobicContact CB-CE2 4.46Å; F432-F438 HydrophobicContact CB-CZ 4.06Å; F432-F438 AromaticContact CD1-CE2 3.84Å; F432-F438 HydrophobicContact CD1-CE2 3.84Å; F432-F438 HydrophobicContact CD1-CZ 4.18Å; F432-F438 HydrophobicContact CD2-CE2 4.4Å; F432-F438 HydrophobicContact CD2-CZ 4.04Å; F432-F438 HydrophobicContact CE1-CE2 4.11Å; F432-F438 AromaticContact CG-CE2 3.99Å; F432-F438 HydrophobicContact CG-CE2 3.99Å; F432-F438 AromaticContact CG-CZ 3.84Å; F432-F438 HydrophobicContact CG-CZ 3.84Å; R434-F438 HydrophobicContact CB-CD1 4.25Å; R434-F438 HydrophobicContact CB-CE1 4.44Å; R434-F438 HydrophobicContact CG-CD1 3.66Å; R434-F438 HydrophobicContact CG-CD2 4.4Å; R434-F438 HydrophobicContact CG-CE1 3.71Å; R434-F438 HydrophobicContact CG-CE2 4.39Å; R434-F438 HydrophobicContact CG-CG 4.03Å; R434-F438 HydrophobicContact CG-CZ 4.08Å; R434-F438 VanDerWaalsContact NH2-CD2 3.29Å; N436-F438 PolarHBondContact O-N 2.92Å; F438-V440 HydrophobicContact CD2-CG2 3.79Å; F438-V440 HydrophobicContact CE2-CG2 3.34Å; F438-V440 HydrophobicContact CZ-CG2 4.23Å; F438-V461 HydrophobicContact CD1-CB 4.06Å; F438-V461 HydrophobicContact CD1-CG1 4.44Å; F438-V461 HydrophobicContact CE1-CB 3.59Å; F438-V461 HydrophobicContact CE1-CG1 3.65Å; F438-V461 HydrophobicContact CE1-CG2 4.39Å; F438-V461 HydrophobicContact CZ-CB 4.04Å; F438-V461 HydrophobicContact CZ-CG1 4.2Å; F438-V461 HydrophobicContact CZ-CG2 4.36Å; F438-V461 PolarHBondContact N-O 3.12Å; F438-V461 PolarHBondContact O-N 2.88Å; F438-F464 HydrophobicContact CD1-CE1 4.49Å; F438-L474 HydrophobicContact CD1-CD1 4.36Å; F438-L474 HydrophobicContact CE1-CD1 3.56Å; F438-L474 HydrophobicContact CZ-CD1 4.34Å
439Q95.8Very high89.6Confident120 Ų12048 Ų4856%0.56128%0.277SS*.EExtended strand (participates in β ladder)trans-105.6147.6176.5-71.9-178-28.400111.6T458 Y459 T460Q439-T458 HydrophobicContact CB-CG2 4.07Å; Q439-T458 HydrophobicContact CG-CG2 4.22Å; Q439-Y459 CarbonylContact C-O 3.58Å; Q439-Y459 WeakPolarHBondContact CA-O 3.4Å; Q439-T460 HydrophobicContact CG-CG2 4.34Å; Q439-T460 PolarHBondContact NE2-OG1 3.06Å
440V96Very high87.9Confident1 Ų154.1 Ų54.11%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-133.3120.7169.5-167.70000109.2M401 S402 W403 F432 F438 Y459M401-V440 HydrophobicContact CB-CG1 3.78Å; M401-V440 HydrophobicContact CE-CB 4.22Å; M401-V440 HydrophobicContact CE-CG1 3.51Å; M401-V440 HydrophobicContact CG-CG1 4.18Å; S402-V440 CarbonylContact O-C 3.55Å; S402-V440 WeakPolarHBondContact O-CA 3.27Å; W403-V440 HydrophobicContact CB-CG1 4.36Å; W403-V440 HydrophobicContact CB-CG2 4.26Å; W403-V440 HydrophobicContact CE3-CG1 4.08Å; F432-V440 HydrophobicContact CZ-CG2 4.35Å; F438-V440 HydrophobicContact CD2-CG2 3.79Å; F438-V440 HydrophobicContact CE2-CG2 3.34Å; F438-V440 HydrophobicContact CZ-CG2 4.23Å; V440-Y459 PolarHBondContact N-O 3.19Å; V440-Y459 PolarHBondContact O-N 3.12Å
441D96.1Very high86.6Confident28 Ų2855.7 Ų55.715%0.1531%0.308CS..EExtended strand (participates in β ladder)trans-80.1140.6170.7-71.5-39.1000110M401 S402 T443 K455 S457 T458M401-D441 CarbonylContact C-O 3.52Å; M401-D441 VanDerWaalsContact CA-O 3.27Å; M401-D441 WeakPolarHBondContact CA-O 3.43Å; S402-D441 PolarHBondContact N-O 3.43Å; S402-D441 PolarHBondContact O-N 3.14Å; D441-T443 HydrophobicContact CB-CG2 4.27Å; D441-K455 IonicContact OD1-NZ 2.66Å; D441-K455 PolarHBondContact OD1-NZ 2.91Å; D441-K455 WeakPolarHBondContact OD2-CE 3.22Å; D441-K455 IonicContact OD2-NZ 2.6Å; D441-K455 PolarHBondContact OD2-NZ 3.04Å; D441-S457 WeakPolarHBondContact CA-O 3.47Å; D441-T458 PolarHBondContact OD1-OG1 3.1Å
442V96.8Very high85.7Confident0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-101.6128.6165.1-175.90000108.4I399 M401 I456 S457 Y459 V486I399-V442 HydrophobicContact CG2-CG1 3.69Å; M401-V442 HydrophobicContact CG-CG2 4.14Å; V442-I456 HydrophobicContact CG1-CB 4.47Å; V442-I456 HydrophobicContact CG1-CD1 4.17Å; V442-I456 PolarHBondContact O-N 3.18Å; V442-S457 PolarHBondContact N-O 2.83Å; V442-S457 PolarHBondContact O-N 2.98Å; V442-Y459 HydrophobicContact CG2-CD2 3.86Å; V442-Y459 HydrophobicContact CG2-CE2 3.62Å; V442-V486 HydrophobicContact CG1-CB 4.33Å; V442-V486 HydrophobicContact CG1-CG1 3.8Å
443T95.5Very high85.1Confident16 Ų1655.2 Ų55.210%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-135.8152.6-171.357.40000112.9I399 A400 D441 P454 K455I399-T443 CarbonylContact C-O 2.99Å; I399-T443 WeakPolarHBondContact CA-O 3.35Å; A400-T443 PolarHBondContact N-O 2.96Å; A400-T443 PolarHBondContact O-N 3.08Å; D441-T443 HydrophobicContact CB-CG2 4.27Å; T443-P454 CarbonylContact C-O 3.57Å; T443-P454 WeakPolarHBondContact CA-O 3.49Å; T443-P454 WeakPolarHBondContact CB-O 3.47Å; T443-K455 HydrophobicContact CG2-CG 4.25Å
444Y94.2Very high84.8Confident15 Ų1553 Ų536%0.05931%0.31CS..EExtended strand (participates in β ladder)trans-74.8156.3160.4-63.7-75.6000110.8T149 D150 F397 S398 I399 T447 I452 S453 P454 I456T149-Y444 WeakPolarHBondContact CB-OH 3.48Å; D150-Y444 VanDerWaalsContact CB-OH 3.29Å; D150-Y444 WeakPolarHBondContact CB-OH 3.49Å; D150-Y444 PolarHBondContact N-OH 2.99Å; F397-Y444 HydrophobicContact CB-CD1 3.82Å; F397-Y444 HydrophobicContact CB-CE1 3.99Å; F397-Y444 HydrophobicContact CD2-CD1 4.49Å; F397-Y444 AromaticContact CD2-CE1 3.88Å; F397-Y444 HydrophobicContact CD2-CE1 3.88Å; F397-Y444 HydrophobicContact CG-CD1 4.11Å; F397-Y444 AromaticContact CG-CE1 3.96Å; F397-Y444 HydrophobicContact CG-CE1 3.96Å; S398-Y444 WeakPolarHBondContact O-CA 3.43Å; I399-Y444 HydrophobicContact CD1-CD1 3.58Å; I399-Y444 HydrophobicContact CD1-CE1 3.58Å; I399-Y444 HydrophobicContact CD1-CG 4.47Å; Y444-T447 HydrophobicContact CG-CG2 4.15Å; Y444-I452 HydrophobicContact CD2-CG2 3.46Å; Y444-I452 VanDerWaalsContact CD2-CG2 3.46Å; Y444-I452 HydrophobicContact CE2-CG2 3.68Å; Y444-I452 HydrophobicContact CG-CG2 4.02Å; Y444-S453 WeakPolarHBondContact CD2-O 3.46Å; Y444-P454 PolarHBondContact N-O 2.9Å; Y444-I456 HydrophobicContact CD1-CD1 4.17Å; Y444-I456 HydrophobicContact CD2-CD1 3.86Å; Y444-I456 HydrophobicContact CD2-CG1 3.76Å; Y444-I456 HydrophobicContact CE1-CD1 3.86Å; Y444-I456 HydrophobicContact CE2-CD1 3.54Å; Y444-I456 HydrophobicContact CE2-CG1 3.3Å; Y444-I456 HydrophobicContact CG-CD1 4.15Å; Y444-I456 VanDerWaalsContact CZ-CD1 3.49Å
445V89.8Confident84.7Confident27 Ų2756.2 Ų56.216%0.16432%0.324CS..EExtended strand (participates in β ladder)trans-131.7147.2170.3-153.20000108.7S398 A400 V416 T447S398-V445 PolarHBondContact O-N 3.49Å; A400-V445 HydrophobicContact CB-CG2 3.33Å; V416-V445 HydrophobicContact CG2-CG2 4.23Å; V445-T447 VanDerWaalsContact C-N 3.28Å; V445-T447 PolarHBondContact O-N 3.42Å; V445-T447 VanDerWaalsContact O-N 3.14Å
446D74.4Confident84.9Confident145 Ų14554.6 Ų54.678%0.77531%0.312SS*.SBendtrans5237.5170.1-48.7-39.7000115.3G448D446-G448 VanDerWaalsContact C-N 3.3Å; D446-G448 PolarHBondContact O-N 2.82Å
447T68.2Low85.2Confident36 Ų3650.2 Ų50.222%0.22129%0.289CS..  trans-61.6-36.4-177.256.50000113.1Y444 V445 D449 I452Y444-T447 HydrophobicContact CG-CG2 4.15Å; V445-T447 VanDerWaalsContact C-N 3.28Å; V445-T447 PolarHBondContact O-N 3.42Å; V445-T447 VanDerWaalsContact O-N 3.14Å; T447-D449 PolarHBondContact O-N 2.89Å; T447-D449 PolarHBondContact OG1-O 3.21Å; T447-D449 VanDerWaalsContact OG1-O 3.12Å; T447-I452 HydrophobicContact CG2-CB 4.19Å; T447-I452 HydrophobicContact CG2-CD1 4.22Å; T447-I452 HydrophobicContact CG2-CG2 4Å
448G66.6Low85.3Confident76 Ų7647.6 Ų47.678%0.78427%0.273SS*.  trans66.9-21.6-166.700000114.4D446D446-G448 VanDerWaalsContact C-N 3.3Å; D446-G448 PolarHBondContact O-N 2.82Å
449D69.4Low85.4Confident24 Ų2447.1 Ų47.113%0.12827%0.271CS..  trans-88.9109.2174.5-175.8-8.5000110.2R227 T447 Q451 I452R227-D449 WeakPolarHBondContact CD-OD2 3.35Å; R227-D449 IonicContact CZ-OD2 2.68Å; R227-D449 IonicContact NE-OD2 2.89Å; R227-D449 IonicContact NH1-OD2 3.7Å; R227-D449 PolarHBondContact NH1-OD2 3.35Å; T447-D449 PolarHBondContact O-N 2.89Å; T447-D449 PolarHBondContact OG1-O 3.21Å; T447-D449 VanDerWaalsContact OG1-O 3.12Å; D449-Q451 PolarHBondContact O-N 3.48Å; D449-Q451 VanDerWaalsContact OD1-CB 3.29Å; D449-Q451 WeakPolarHBondContact OD1-CB 3.38Å; D449-Q451 PolarHBondContact OD1-N 3.11Å; D449-I452 HydrophobicContact CB-CD1 3.96Å; D449-I452 HydrophobicContact CB-CG1 4.06Å; D449-I452 PolarHBondContact O-N 3.1Å
450L59.7Low85.5Confident178 Ų17843.4 Ų43.493%0.93226%0.256SS*.THydrogen-bonded Turntrans-68.9-11.6178.5-66.9172.4000113.7
451Q69.6Low85.5Confident64 Ų6443.4 Ų43.430%0.29926%0.256SS..THydrogen-bonded Turntrans-82.9-16176.1-55178.527.600112.4D77 E79 D449 S453D77-Q451 PolarHBondContact OD1-OE1 3.45Å; E79-Q451 PolarHBondContact OE2-NE2 3.36Å; D449-Q451 PolarHBondContact O-N 3.48Å; D449-Q451 VanDerWaalsContact OD1-CB 3.29Å; D449-Q451 WeakPolarHBondContact OD1-CB 3.38Å; D449-Q451 PolarHBondContact OD1-N 3.11Å; Q451-S453 PolarHBondContact O-N 3.37Å
452I75.3Confident85.5Confident11 Ų1142.5 Ų42.56%0.05625%0.254CS..SBendtrans-80.5114.2179.3-61.6-179.7000109.5T149 F397 Y444 T447 D449 P454T149-I452 HydrophobicContact CG2-CD1 4.31Å; T149-I452 HydrophobicContact CG2-CG1 4.15Å; T149-I452 HydrophobicContact CG2-CG2 4.14Å; F397-I452 HydrophobicContact CD1-CD1 4.47Å; F397-I452 HydrophobicContact CE1-CD1 3.8Å; F397-I452 HydrophobicContact CZ-CD1 4.31Å; Y444-I452 HydrophobicContact CD2-CG2 3.46Å; Y444-I452 VanDerWaalsContact CD2-CG2 3.46Å; Y444-I452 HydrophobicContact CE2-CG2 3.68Å; Y444-I452 HydrophobicContact CG-CG2 4.02Å; T447-I452 HydrophobicContact CG2-CB 4.19Å; T447-I452 HydrophobicContact CG2-CD1 4.22Å; T447-I452 HydrophobicContact CG2-CG2 4Å; D449-I452 HydrophobicContact CB-CD1 3.96Å; D449-I452 HydrophobicContact CB-CG1 4.06Å; D449-I452 PolarHBondContact O-N 3.1Å; I452-P454 WeakPolarHBondContact O-CD 3.39Å
453S81.8Confident85.4Confident63 Ų6347.1 Ų47.144%0.44128%0.284SS..  trans-53.3119.8168.31710000109.7Y444 Q451 K455Y444-S453 WeakPolarHBondContact CD2-O 3.46Å; Q451-S453 PolarHBondContact O-N 3.37Å; S453-K455 PolarHBondContact O-N 3.33Å; S453-K455 PolarHBondContact OG-O 3.41Å
454P86.6Confident85.3Confident86 Ų8648 Ų4856%0.55829%0.286SS*.SBendtrans-69.1-23.5-175.626.5-34.6000112.6T443 Y444 I452T443-P454 CarbonylContact C-O 3.57Å; T443-P454 WeakPolarHBondContact CA-O 3.49Å; T443-P454 WeakPolarHBondContact CB-O 3.47Å; Y444-P454 PolarHBondContact N-O 2.9Å; I452-P454 WeakPolarHBondContact O-CD 3.39Å
455K91Very high85Confident79 Ų7952.8 Ų52.834%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-89.8134.6172.6-78.6-167.6161.5-139.40111.4D441 T443 S453 Y586D441-K455 IonicContact OD1-NZ 2.66Å; D441-K455 PolarHBondContact OD1-NZ 2.91Å; D441-K455 WeakPolarHBondContact OD2-CE 3.22Å; D441-K455 IonicContact OD2-NZ 2.6Å; D441-K455 PolarHBondContact OD2-NZ 3.04Å; T443-K455 HydrophobicContact CG2-CG 4.25Å; S453-K455 PolarHBondContact O-N 3.33Å; S453-K455 PolarHBondContact OG-O 3.41Å; K455-Y586 HydrophobicContact CB-CD2 3.9Å; K455-Y586 HydrophobicContact CB-CE2 3.78Å; K455-Y586 HydrophobicContact CD-CE2 3.83Å; K455-Y586 HydrophobicContact CG-CE2 4.34Å; K455-Y586 PolarHBondContact NZ-OH 3.44Å
456I95.3Very high84.7Confident9 Ų953.1 Ų53.15%0.04632%0.316CS..EExtended strand (participates in β ladder)trans-105.9-55175.7-61.9165.5000110D150 I399 V442 Y444 Y586D150-I456 HydrophobicContact CB-CG2 3.82Å; D150-I456 WeakPolarHBondContact OD1-CG2 3.32Å; I399-I456 HydrophobicContact CD1-CD1 3.63Å; V442-I456 HydrophobicContact CG1-CB 4.47Å; V442-I456 HydrophobicContact CG1-CD1 4.17Å; V442-I456 PolarHBondContact O-N 3.18Å; Y444-I456 HydrophobicContact CD1-CD1 4.17Å; Y444-I456 HydrophobicContact CD2-CD1 3.86Å; Y444-I456 HydrophobicContact CD2-CG1 3.76Å; Y444-I456 HydrophobicContact CE1-CD1 3.86Å; Y444-I456 HydrophobicContact CE2-CD1 3.54Å; Y444-I456 HydrophobicContact CE2-CG1 3.3Å; Y444-I456 HydrophobicContact CG-CD1 4.15Å; Y444-I456 VanDerWaalsContact CZ-CD1 3.49Å; I456-Y586 WeakPolarHBondContact O-CD2 3.46Å; I456-Y586 PolarHBondContact O-N 3.3Å
457S96.7Very high84.8Confident0 Ų048.4 Ų48.40%030%0.301CS..EExtended strand (participates in β ladder)trans-155.2166.2-177.657.90000112D441 V442 Y459 L584D441-S457 WeakPolarHBondContact CA-O 3.47Å; V442-S457 PolarHBondContact N-O 2.83Å; V442-S457 PolarHBondContact O-N 2.98Å; S457-Y459 WeakPolarHBondContact OG-CE2 3.46Å; S457-L584 CarbonylContact C-O 3.53Å; S457-L584 WeakPolarHBondContact CA-O 3.26Å; S457-L584 WeakPolarHBondContact CB-O 3.39Å
458T97Very high85Confident9 Ų956.6 Ų56.66%0.05533%0.334CS..EExtended strand (participates in β ladder)trans-123.6132.4166.9-55.10000108.6Q439 D441 L584 Y586Q439-T458 HydrophobicContact CB-CG2 4.07Å; Q439-T458 HydrophobicContact CG-CG2 4.22Å; D441-T458 PolarHBondContact OD1-OG1 3.1Å; T458-L584 PolarHBondContact N-O 2.89Å; T458-L584 PolarHBondContact O-N 2.91Å; T458-Y586 PolarHBondContact OG1-OH 3.15Å
459Y97.5Very high85.1Confident2 Ų254.8 Ų54.81%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-107.4135.3170-63.7-88.8000110.2Q439 V440 V442 S457 T487 V488 V581 A582 E583Q439-Y459 CarbonylContact C-O 3.58Å; Q439-Y459 WeakPolarHBondContact CA-O 3.4Å; V440-Y459 PolarHBondContact N-O 3.19Å; V440-Y459 PolarHBondContact O-N 3.12Å; V442-Y459 HydrophobicContact CG2-CD2 3.86Å; V442-Y459 HydrophobicContact CG2-CE2 3.62Å; S457-Y459 WeakPolarHBondContact OG-CE2 3.46Å; Y459-T487 WeakPolarHBondContact OH-CA 3.25Å; Y459-V488 HydrophobicContact CD1-CB 3.71Å; Y459-V488 HydrophobicContact CD1-CG2 3.98Å; Y459-V488 HydrophobicContact CD2-CB 4.05Å; Y459-V488 HydrophobicContact CD2-CG2 3.35Å; Y459-V488 HydrophobicContact CE1-CB 3.86Å; Y459-V488 HydrophobicContact CE1-CG2 4.2Å; Y459-V488 HydrophobicContact CE2-CB 4.18Å; Y459-V488 HydrophobicContact CE2-CG2 3.61Å; Y459-V488 HydrophobicContact CG-CB 3.82Å; Y459-V488 HydrophobicContact CG-CG2 3.55Å; Y459-V581 HydrophobicContact CD1-CG1 3.81Å; Y459-V581 HydrophobicContact CG-CG1 4.36Å; Y459-A582 CarbonylContact C-O 3.57Å; Y459-A582 VanDerWaalsContact CA-O 3.29Å; Y459-A582 WeakPolarHBondContact CA-O 3.47Å; Y459-E583 HydrophobicContact CD1-CB 3.81Å; Y459-E583 HydrophobicContact CD1-CG 4.05Å; Y459-E583 HydrophobicContact CE1-CB 3.5Å; Y459-E583 VanDerWaalsContact CE1-CD 3.47Å; Y459-E583 HydrophobicContact CE1-CG 3.34Å; Y459-E583 PolarHBondContact OH-OE1 2.71Å
460T97.7Very high85.6Confident42 Ų4260.8 Ų60.826%0.25835%0.347SS..EExtended strand (participates in β ladder)trans-104.4118.6171.7-56.90000108.3T437 Q439 V581 A582T437-T460 HydrophobicContact CG2-CG2 3.56Å; Q439-T460 HydrophobicContact CG-CG2 4.34Å; Q439-T460 PolarHBondContact NE2-OG1 3.06Å; T460-V581 WeakPolarHBondContact O-CA 3.49Å; T460-A582 PolarHBondContact N-O 2.97Å; T460-A582 PolarHBondContact O-N 3.08Å
461V96.9Very high87.1Confident1 Ų157.1 Ų57.11%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-107110.7-174.2178.80000109.3T437 F438 A491 V579 V581T437-V461 WeakPolarHBondContact CA-O 3.27Å; F438-V461 HydrophobicContact CD1-CB 4.06Å; F438-V461 HydrophobicContact CD1-CG1 4.44Å; F438-V461 HydrophobicContact CE1-CB 3.59Å; F438-V461 HydrophobicContact CE1-CG1 3.65Å; F438-V461 HydrophobicContact CE1-CG2 4.39Å; F438-V461 HydrophobicContact CZ-CB 4.04Å; F438-V461 HydrophobicContact CZ-CG1 4.2Å; F438-V461 HydrophobicContact CZ-CG2 4.36Å; F438-V461 PolarHBondContact N-O 3.12Å; F438-V461 PolarHBondContact O-N 2.88Å; V461-A491 HydrophobicContact CG1-CB 3.52Å; V461-V579 HydrophobicContact CG1-CG1 4Å; V461-V581 HydrophobicContact CG2-CG1 4.46Å; V461-V581 HydrophobicContact CG2-CG2 4.34Å
462G95.3Very high88.1Confident10 Ų1054.2 Ų54.210%0.10331%0.311CS..  trans137.2176.7-17500000112.6P580G462-P580 PolarHBondContact N-O 2.9Å
463P94.9Very high89Confident97 Ų9756.5 Ų56.563%0.6332%0.321SS*.  cis-75.3156.55.731.2-36.5000114.1T437 P580T437-P463 WeakPolarHBondContact OG1-CA 3.34Å; P463-P580 WeakPolarHBondContact O-CD 3.31Å
464F92.7Very high89.6Confident34 Ų3453.5 Ų53.515%0.14930%0.3CS..  trans-148.1166170.260.4-90.5000108.8R434 N436 F438 A472 L474 M493 V579R434-F464 HydrophobicContact CB-CE2 4.46Å; R434-F464 HydrophobicContact CB-CZ 3.73Å; R434-F464 WeakPolarHBondContact O-CE2 3.49Å; N436-F464 WeakPolarHBondContact O-CE1 3.35Å; N436-F464 WeakPolarHBondContact O-CZ 3.49Å; F438-F464 HydrophobicContact CD1-CE1 4.49Å; F464-A472 HydrophobicContact CD2-CB 3.63Å; F464-A472 HydrophobicContact CE2-CB 3.42Å; F464-A472 VanDerWaalsContact CE2-CB 3.42Å; F464-A472 HydrophobicContact CZ-CB 4.35Å; F464-L474 HydrophobicContact CD1-CD1 4.15Å; F464-L474 HydrophobicContact CD1-CD2 4.49Å; F464-L474 HydrophobicContact CE1-CD1 3.63Å; F464-L474 HydrophobicContact CE2-CD1 4.31Å; F464-L474 HydrophobicContact CG-CD2 4.44Å; F464-L474 HydrophobicContact CZ-CD1 3.73Å; F464-M493 HydrophobicContact CB-SD 4.45Å; F464-M493 HydrophobicContact CD2-SD 4.2Å; F464-V579 HydrophobicContact CB-CG1 4.05Å; F464-V579 HydrophobicContact CB-CG2 3.91Å; F464-V579 HydrophobicContact CD1-CG1 3.86Å; F464-V579 HydrophobicContact CG-CG1 4.35Å
465N88.8Confident90.1Very high115 Ų11553.9 Ų53.962%0.61529%0.292SS*.  trans-116.9124.3173.9177.5-16.7000107.9G467 M493N465-G467 PolarHBondContact O-N 3.39Å; N465-G467 PolarHBondContact OD1-N 3.01Å; N465-M493 VanDerWaalsContact O-CE 3.29Å; N465-M493 WeakPolarHBondContact O-CE 3.37Å
466P82.4Confident90.4Very high34 Ų3450.1 Ų50.122%0.22128%0.276CS..  trans-71.8-3.5-17532.4-38.4000115G469 A472P466-G469 WeakPolarHBondContact CB-O 3.28Å; P466-A472 HydrophobicContact CB-CB 4.01Å; P466-A472 VanDerWaalsContact CB-N 3.34Å
467G77.7Confident90.5Very high46 Ų4652.9 Ų52.947%0.47429%0.288SS..THydrogen-bonded Turntrans79.6-123.1168.800000113.1N465 G469N465-G467 PolarHBondContact O-N 3.39Å; N465-G467 PolarHBondContact OD1-N 3.01Å; G467-G469 VanDerWaalsContact C-N 3.33Å; G467-G469 PolarHBondContact O-N 3.15Å
468K71.2Confident90.6Very high208 Ų20853 Ų5390%0.90429%0.288SS*.THydrogen-bonded Turntrans-82.60.1-175.7-72.2-177.1179.7171.20114.7
469G70.6Confident90.6Very high38 Ų3856.6 Ų56.639%0.39230%0.301SS..SBendtrans-142.6165.1-178.100000113P466 G467 K471P466-G469 WeakPolarHBondContact CB-O 3.28Å; G467-G469 VanDerWaalsContact C-N 3.33Å; G467-G469 PolarHBondContact O-N 3.15Å; G469-K471 PolarHBondContact O-N 3.12Å
470D79.8Confident90.6Very high150 Ų15056.5 Ų56.580%0.80230%0.3SS*.SBendtrans-62-20.3-172.1-56.1-33.2000114.4S435S435-D470 WeakPolarHBondContact CB-O 3.49Å
471K89.6Confident90.6Very high101 Ų10156 Ų5644%0.43930%0.296SS..SBendtrans-142.9128.2-175.4-61.6-166.7-175.6-156.20113.1D406 R434 G469D406-K471 VanDerWaalsContact OD2-CE 3.29Å; D406-K471 WeakPolarHBondContact OD2-CE 3.22Å; D406-K471 IonicContact OD2-NZ 3.14Å; D406-K471 PolarHBondContact OD2-NZ 2.86Å; R434-K471 CarbonylContact O-C 3.57Å; R434-K471 WeakPolarHBondContact O-CA 3.46Å; G469-K471 PolarHBondContact O-N 3.12Å
472A91.7Very high90.6Very high3 Ų357.8 Ų57.83%0.02531%0.305CS..EExtended strand (participates in β ladder)trans-67.5134.6169.400000111.1Y433 R434 F464 P466 L474 M493Y433-A472 WeakPolarHBondContact CA-O 3.5Å; R434-A472 PolarHBondContact N-O 3.23Å; R434-A472 WeakPolarHBondContact O-CB 3.19Å; R434-A472 PolarHBondContact O-N 3.07Å; F464-A472 HydrophobicContact CD2-CB 3.63Å; F464-A472 HydrophobicContact CE2-CB 3.42Å; F464-A472 VanDerWaalsContact CE2-CB 3.42Å; F464-A472 HydrophobicContact CZ-CB 4.35Å; P466-A472 HydrophobicContact CB-CB 4.01Å; P466-A472 VanDerWaalsContact CB-N 3.34Å; A472-L474 HydrophobicContact CB-CD2 4Å; A472-L474 HydrophobicContact CB-CG 3.98Å; A472-L474 PolarHBondContact O-N 3.49Å; A472-M493 HydrophobicContact CB-CG 3.96Å; A472-M493 HydrophobicContact CB-SD 3.58Å; A472-M493 VanDerWaalsContact CB-SD 3.58Å
473K93.6Very high90.7Very high60 Ų6058.8 Ų58.826%0.26131%0.307SS..EExtended strand (participates in β ladder)trans-85.197.9168-177.7174.3-177.8170.30108.7T431 Y433 L494 E496T431-K473 HydrophobicContact CG2-CG 4.25Å; Y433-K473 HydrophobicContact CD1-CB 4.19Å; Y433-K473 HydrophobicContact CD1-CG 4.44Å; Y433-K473 HydrophobicContact CE1-CB 3.81Å; Y433-K473 HydrophobicContact CE1-CD 3.98Å; Y433-K473 HydrophobicContact CE1-CG 3.67Å; K473-L494 HydrophobicContact CD-CB 4.49Å; K473-L494 HydrophobicContact CG-CB 4.35Å; K473-L494 PolarHBondContact O-N 3.39Å; K473-E496 IonicContact NZ-OE1 3.97Å; K473-E496 PolarHBondContact NZ-OE1 2.84Å
474L95.1Very high90.8Very high0 Ų054.1 Ų54.10%028%0.277CS..EExtended strand (participates in β ladder)trans-101.4123-174.7-62.2175.2000110.9T431 F432 R434 F438 F464 A472 T492 M493 V579T431-L474 CarbonylContact C-O 3.39Å; T431-L474 VanDerWaalsContact CA-O 3.32Å; T431-L474 WeakPolarHBondContact CA-O 3.38Å; F432-L474 HydrophobicContact CB-CB 4.38Å; F432-L474 PolarHBondContact N-O 2.79Å; F432-L474 PolarHBondContact O-N 3.2Å; R434-L474 HydrophobicContact CB-CD1 3.91Å; R434-L474 HydrophobicContact CG-CD1 4.12Å; F438-L474 HydrophobicContact CD1-CD1 4.36Å; F438-L474 HydrophobicContact CE1-CD1 3.56Å; F438-L474 HydrophobicContact CZ-CD1 4.34Å; F464-L474 HydrophobicContact CD1-CD1 4.15Å; F464-L474 HydrophobicContact CD1-CD2 4.49Å; F464-L474 HydrophobicContact CE1-CD1 3.63Å; F464-L474 HydrophobicContact CE2-CD1 4.31Å; F464-L474 HydrophobicContact CG-CD2 4.44Å; F464-L474 HydrophobicContact CZ-CD1 3.73Å; A472-L474 HydrophobicContact CB-CD2 4Å; A472-L474 HydrophobicContact CB-CG 3.98Å; A472-L474 PolarHBondContact O-N 3.49Å; L474-T492 CarbonylContact C-O 3.56Å; L474-T492 WeakPolarHBondContact CA-O 2.89Å; L474-M493 HydrophobicContact CD2-CB 3.67Å; L474-M493 HydrophobicContact CD2-CG 3.95Å; L474-V579 HydrophobicContact CD2-CG2 3.92Å
475K96.6Very high91.1Very high93 Ų9352.7 Ų52.740%0.40427%0.271SS..EExtended strand (participates in β ladder)trans-100.8111.4169.5-171.5170.1-174.8170.60109.5A429 L430 T492 L494A429-K475 HydrophobicContact CB-CD 4.39Å; A429-K475 HydrophobicContact CB-CG 4.09Å; L430-K475 WeakPolarHBondContact O-CA 3.29Å; K475-T492 PolarHBondContact N-O 2.99Å; K475-T492 PolarHBondContact O-N 3.48Å; K475-T492 PolarHBondContact O-OG1 3.14Å; K475-L494 HydrophobicContact CB-CD1 4.13Å
476V97.4Very high91.5Very high1 Ų147.3 Ų47.31%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-101.3122.1179.1-178.40000108.7A429 L430 F432 V478 V488 A491A429-V476 CarbonylContact C-O 3.52Å; A429-V476 VanDerWaalsContact CA-O 3.28Å; A429-V476 WeakPolarHBondContact CA-O 3.48Å; L430-V476 PolarHBondContact N-O 3.23Å; L430-V476 PolarHBondContact O-N 2.95Å; F432-V476 HydrophobicContact CD2-CB 4.21Å; F432-V476 HydrophobicContact CD2-CG2 3.67Å; F432-V476 HydrophobicContact CE2-CB 3.87Å; F432-V476 HydrophobicContact CE2-CG2 3.73Å; V476-V478 HydrophobicContact CG1-CG2 4.11Å; V476-V488 HydrophobicContact CG1-CG1 3.48Å; V476-V488 VanDerWaalsContact CG1-CG1 3.48Å; V476-A491 HydrophobicContact CG2-CB 4.13Å
477K97.7Very high92.2Very high67 Ų6747.2 Ų47.229%0.29124%0.241SC..EExtended strand (participates in β ladder)trans-95130.1179.6-172.1-173.3-178.9-168.80109.3V427 E489 S490V427-K477 HydrophobicContact CG1-CD 4.35Å; V427-K477 HydrophobicContact CG1-CG 3.8Å; K477-E489 HydrophobicContact CD-CB 4.35Å; K477-E489 HydrophobicContact CD-CG 4.27Å; K477-E489 WeakPolarHBondContact CD-OE2 3.4Å; K477-E489 VanDerWaalsContact CE-CD 3.46Å; K477-E489 WeakPolarHBondContact CE-OE1 3.29Å; K477-E489 WeakPolarHBondContact CE-OE2 3.46Å; K477-E489 HydrophobicContact CG-CB 4.42Å; K477-E489 IonicContact NZ-OE1 2.67Å; K477-E489 PolarHBondContact NZ-OE1 3.43Å; K477-E489 IonicContact NZ-OE2 2.58Å; K477-E489 PolarHBondContact NZ-OE2 3.03Å; K477-E489 PolarHBondContact O-N 3.32Å; K477-S490 WeakPolarHBondContact CB-OG 3.41Å; K477-S490 PolarHBondContact N-O 3.02Å; K477-S490 PolarHBondContact O-N 2.95Å
478V97.7Very high93.1Very high1 Ų145.8 Ų45.81%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-132134-172.2-167.70000108.2M401 F418 V427 K428 V476 V486 T487 V488M401-V478 HydrophobicContact CE-CG2 3.83Å; M401-V478 HydrophobicContact SD-CB 4.21Å; M401-V478 HydrophobicContact SD-CG1 3.84Å; M401-V478 HydrophobicContact SD-CG2 3.6Å; F418-V478 HydrophobicContact CE2-CG1 4.11Å; F418-V478 HydrophobicContact CZ-CG1 4.45Å; V427-V478 WeakPolarHBondContact CA-O 3.45Å; K428-V478 PolarHBondContact N-O 2.8Å; K428-V478 PolarHBondContact O-N 3.13Å; V476-V478 HydrophobicContact CG1-CG2 4.11Å; V478-V486 HydrophobicContact CG1-CG1 4.27Å; V478-T487 WeakPolarHBondContact CA-O 3.46Å; V478-T487 WeakPolarHBondContact CG1-O 3.45Å; V478-V488 HydrophobicContact CG1-CG2 4.39Å; V478-V488 HydrophobicContact CG2-CG2 4.25Å
479R98Very high94.1Very high85 Ų8539.6 Ų39.632%0.32120%0.197SC..EExtended strand (participates in β ladder)trans-127.1128-169.8177.8-179-67.2-117.414.2110S426 V427 N481 V486 T487 E489S426-R479 WeakPolarHBondContact O-CA 3.28Å; V427-R479 HydrophobicContact CG2-CB 4.23Å; V427-R479 HydrophobicContact CG2-CG 4.08Å; R479-N481 HydrophobicContact CG-CB 4.41Å; R479-V486 CarbonylContact O-C 3.57Å; R479-V486 WeakPolarHBondContact O-CA 3.34Å; R479-T487 PolarHBondContact N-O 2.95Å; R479-T487 PolarHBondContact O-N 3.01Å; R479-T487 PolarHBondContact O-OG1 3Å; R479-E489 IonicContact CZ-OE1 3.21Å; R479-E489 IonicContact CZ-OE2 2.68Å; R479-E489 VanDerWaalsContact CZ-OE2 3.28Å; R479-E489 IonicContact NE-OE1 2.76Å; R479-E489 IonicContact NE-OE2 2.73Å; R479-E489 PolarHBondContact NE-OE2 3.09Å; R479-E489 IonicContact NH2-OE1 3.2Å; R479-E489 PolarHBondContact NH2-OE1 2.92Å; R479-E489 IonicContact NH2-OE2 2.99Å; R479-E489 PolarHBondContact NH2-OE2 3.12Å
480L97.8Very high95.3Very high0 Ų039.6 Ų39.60%019%0.191CC..EExtended strand (participates in β ladder)trans-94.2109.3158.3-179.870.8000106.1F395 F418 N422 L424 P425 S426 V486F395-L480 HydrophobicContact CB-CD2 3.78Å; F395-L480 HydrophobicContact CD1-CD1 4.28Å; F395-L480 HydrophobicContact CD1-CD2 3.96Å; F395-L480 HydrophobicContact CD2-CD1 4.1Å; F395-L480 HydrophobicContact CD2-CD2 4.19Å; F395-L480 HydrophobicContact CE1-CD1 4.18Å; F395-L480 HydrophobicContact CE2-CD1 3.99Å; F395-L480 HydrophobicContact CG-CD1 4.25Å; F395-L480 HydrophobicContact CG-CD2 3.71Å; F395-L480 HydrophobicContact CZ-CD1 4.02Å; F418-L480 HydrophobicContact CB-CD2 4.31Å; F418-L480 HydrophobicContact CD1-CB 3.99Å; F418-L480 HydrophobicContact CD1-CD2 4.32Å; F418-L480 HydrophobicContact CD2-CB 4.1Å; F418-L480 HydrophobicContact CE1-CB 3.82Å; F418-L480 HydrophobicContact CE2-CB 3.95Å; F418-L480 HydrophobicContact CG-CB 4.12Å; F418-L480 HydrophobicContact CG-CD2 4.22Å; F418-L480 HydrophobicContact CZ-CB 3.81Å; N422-L480 WeakPolarHBondContact ND2-CD2 3.46Å; L424-L480 HydrophobicContact CD2-CD1 4.31Å; L424-L480 HydrophobicContact CD2-CD2 3.49Å; L424-L480 VanDerWaalsContact CD2-CD2 3.49Å; L424-L480 HydrophobicContact CD2-CG 3.6Å; P425-L480 CarbonylContact C-O 3.56Å; P425-L480 WeakPolarHBondContact CA-O 3.43Å; P425-L480 WeakPolarHBondContact CB-O 3.47Å; S426-L480 PolarHBondContact N-O 3.46Å; S426-L480 PolarHBondContact O-N 2.78Å; L480-V486 HydrophobicContact CD1-CG2 3.6Å
481N97.2Very high96.2Very high32 Ų3232.5 Ų32.517%0.17115%0.154CC..  trans-79.2177.5-173.872.620.5000112.3R479 H483 G484 V485R479-N481 HydrophobicContact CG-CB 4.41Å; N481-H483 PolarHBondContact O-N 3.07Å; N481-H483 WeakPolarHBondContact OD1-CB 3.31Å; N481-H483 PolarHBondContact OD1-CD2 3.36Å; N481-H483 PolarHBondContact OD1-N 3.3Å; N481-H483 VanDerWaalsContact OD1-N 3.12Å; N481-G484 PolarHBondContact O-N 2.88Å; N481-G484 PolarHBondContact OD1-N 2.87Å; N481-V485 PolarHBondContact N-O 2.77Å; N481-V485 PolarHBondContact OD1-N 3.34Å; N481-V485 PolarHBondContact OD1-O 2.8Å
482I97.1Very high96.5Very high39 Ų3929 Ų2920%0.214%0.141CC..THydrogen-bonded Turntrans-64.7-21.7-174.4-162.9172000113.5L168 R169 L380 G484L168-I482 WeakPolarHBondContact O-CG2 3.46Å; R169-I482 HydrophobicContact CB-CD1 4.49Å; R169-I482 HydrophobicContact CB-CG1 4.45Å; R169-I482 HydrophobicContact CG-CD1 4.47Å; R169-I482 HydrophobicContact CG-CG1 4.03Å; L380-I482 HydrophobicContact CD1-CD1 4.19Å; L380-I482 HydrophobicContact CD2-CD1 4.06Å; I482-G484 VanDerWaalsContact C-N 3.3Å
483H97.9Very high96.6Very high30 Ų3029.3 Ų29.314%0.13914%0.142CC..THydrogen-bonded Turntrans-82-8.5175.2-39.4-72.5000112.8R153 L157 P167 L170 N481 V485R153-H483 WeakPolarHBondContact CD-O 3.46Å; R153-H483 PolarHBondContact NH1-O 3.09Å; L157-H483 HydrophobicContact CD1-CB 4.35Å; P167-H483 PolarHBondContact O-CE1 3.12Å; L170-H483 HydrophobicContact CB-CB 3.98Å; L170-H483 HydrophobicContact CD1-CB 4.22Å; L170-H483 HydrophobicContact CG-CB 3.92Å; L170-H483 PolarHBondContact N-ND1 3.48Å; N481-H483 PolarHBondContact O-N 3.07Å; N481-H483 WeakPolarHBondContact OD1-CB 3.31Å; N481-H483 PolarHBondContact OD1-CD2 3.36Å; N481-H483 PolarHBondContact OD1-N 3.3Å; N481-H483 VanDerWaalsContact OD1-N 3.12Å; H483-V485 HydrophobicContact CB-CG2 4.49Å
484G97Very high96.5Very high0 Ų028 Ų280%014%0.138CC..SBendtrans78.229.3-17100000113.8R153 F395 N481 I482R153-G484 WeakPolarHBondContact CD-O 3.23Å; F395-G484 WeakPolarHBondContact CE2-O 3.5Å; N481-G484 PolarHBondContact O-N 2.88Å; N481-G484 PolarHBondContact OD1-N 2.87Å; I482-G484 VanDerWaalsContact C-N 3.3Å
485V97.6Very high96.1Very high4 Ų430.6 Ų30.62%0.02415%0.15CC..  trans-102.3136.1173.4171.60000110D150 R153 R154 L157 N481 H483D150-V485 VanDerWaalsContact OD2-CA 3.3Å; D150-V485 WeakPolarHBondContact OD2-CA 3.45Å; D150-V485 WeakPolarHBondContact OD2-CG1 3.42Å; R153-V485 HydrophobicContact CB-CG2 3.66Å; R154-V485 HydrophobicContact CG-CG1 3.9Å; R154-V485 HydrophobicContact CG-CG2 4.04Å; L157-V485 HydrophobicContact CD1-CG2 4.29Å; N481-V485 PolarHBondContact N-O 2.77Å; N481-V485 PolarHBondContact OD1-N 3.34Å; N481-V485 PolarHBondContact OD1-O 2.8Å; H483-V485 HydrophobicContact CB-CG2 4.49Å
486V97.3Very high95.3Very high1 Ų130.2 Ų30.21%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-95.3131.6-177.2-174.10000110.5D150 R154 I399 F418 V442 V478 R479 L480D150-V486 PolarHBondContact OD2-N 3.22Å; R154-V486 PolarHBondContact NH2-O 3.33Å; I399-V486 HydrophobicContact CD1-CG2 4.24Å; I399-V486 HydrophobicContact CG1-CG2 4.02Å; I399-V486 HydrophobicContact CG2-CG1 4.35Å; I399-V486 HydrophobicContact CG2-CG2 4.12Å; F418-V486 HydrophobicContact CE2-CG1 4.27Å; V442-V486 HydrophobicContact CG1-CB 4.33Å; V442-V486 HydrophobicContact CG1-CG1 3.8Å; V478-V486 HydrophobicContact CG1-CG1 4.27Å; R479-V486 CarbonylContact O-C 3.57Å; R479-V486 WeakPolarHBondContact O-CA 3.34Å; L480-V486 HydrophobicContact CD1-CG2 3.6Å
487T97Very high94.1Very high32 Ų3234.7 Ų34.720%0.19617%0.17CC..EExtended strand (participates in β ladder)trans-140.2144.9178.948.30000111.9Y459 V478 R479Y459-T487 WeakPolarHBondContact OH-CA 3.25Å; V478-T487 WeakPolarHBondContact CA-O 3.46Å; V478-T487 WeakPolarHBondContact CG1-O 3.45Å; R479-T487 PolarHBondContact N-O 2.95Å; R479-T487 PolarHBondContact O-N 3.01Å; R479-T487 PolarHBondContact O-OG1 3Å
488V96.7Very high92.5Very high16 Ų1638 Ų3810%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-86.4108.4163175.30000107.9M401 Y459 V476 V478 V581M401-V488 HydrophobicContact CE-CG2 4.26Å; Y459-V488 HydrophobicContact CD1-CB 3.71Å; Y459-V488 HydrophobicContact CD1-CG2 3.98Å; Y459-V488 HydrophobicContact CD2-CB 4.05Å; Y459-V488 HydrophobicContact CD2-CG2 3.35Å; Y459-V488 HydrophobicContact CE1-CB 3.86Å; Y459-V488 HydrophobicContact CE1-CG2 4.2Å; Y459-V488 HydrophobicContact CE2-CB 4.18Å; Y459-V488 HydrophobicContact CE2-CG2 3.61Å; Y459-V488 HydrophobicContact CG-CB 3.82Å; Y459-V488 HydrophobicContact CG-CG2 3.55Å; V476-V488 HydrophobicContact CG1-CG1 3.48Å; V476-V488 VanDerWaalsContact CG1-CG1 3.48Å; V478-V488 HydrophobicContact CG1-CG2 4.39Å; V478-V488 HydrophobicContact CG2-CG2 4.25Å; V488-V581 HydrophobicContact CB-CG1 4.41Å; V488-V581 HydrophobicContact CG1-CG1 4.02Å; V488-V581 HydrophobicContact CG1-CG2 4.45Å
489E93.5Very high90.7Very high78 Ų7841 Ų4136%0.36421%0.205SC..EExtended strand (participates in β ladder)trans-79.2-34.8-171-177.2-178.5164.800112.8K477 R479K477-E489 HydrophobicContact CD-CB 4.35Å; K477-E489 HydrophobicContact CD-CG 4.27Å; K477-E489 WeakPolarHBondContact CD-OE2 3.4Å; K477-E489 VanDerWaalsContact CE-CD 3.46Å; K477-E489 WeakPolarHBondContact CE-OE1 3.29Å; K477-E489 WeakPolarHBondContact CE-OE2 3.46Å; K477-E489 HydrophobicContact CG-CB 4.42Å; K477-E489 IonicContact NZ-OE1 2.67Å; K477-E489 PolarHBondContact NZ-OE1 3.43Å; K477-E489 IonicContact NZ-OE2 2.58Å; K477-E489 PolarHBondContact NZ-OE2 3.03Å; K477-E489 PolarHBondContact O-N 3.32Å; R479-E489 IonicContact CZ-OE1 3.21Å; R479-E489 IonicContact CZ-OE2 2.68Å; R479-E489 VanDerWaalsContact CZ-OE2 3.28Å; R479-E489 IonicContact NE-OE1 2.76Å; R479-E489 IonicContact NE-OE2 2.73Å; R479-E489 PolarHBondContact NE-OE2 3.09Å; R479-E489 IonicContact NH2-OE1 3.2Å; R479-E489 PolarHBondContact NH2-OE1 2.92Å; R479-E489 IonicContact NH2-OE2 2.99Å; R479-E489 PolarHBondContact NH2-OE2 3.12Å
490S95.9Very high88.7Confident38 Ų3845.7 Ų45.727%0.26623%0.231SC..EExtended strand (participates in β ladder)trans-167144.1-179.864.50000112K477K477-S490 WeakPolarHBondContact CB-OG 3.41Å; K477-S490 PolarHBondContact N-O 3.02Å; K477-S490 PolarHBondContact O-N 2.95Å
491A97.1Very high86.6Confident2 Ų250.5 Ų50.52%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-106.4136.3160.600000110.3V461 V476 V579 V581V461-A491 HydrophobicContact CG1-CB 3.52Å; V476-A491 HydrophobicContact CG2-CB 4.13Å; A491-V579 HydrophobicContact CB-CB 3.94Å; A491-V579 HydrophobicContact CB-CG1 4.33Å; A491-V579 PolarHBondContact O-N 3.01Å; A491-V581 HydrophobicContact CB-CG2 3.58Å
492T96.6Very high84.4Confident28 Ų2854.3 Ų54.317%0.17229%0.286CS..EExtended strand (participates in β ladder)trans-132.4125.2178.855.50000110.5L474 K475 T577L474-T492 CarbonylContact C-O 3.56Å; L474-T492 WeakPolarHBondContact CA-O 2.89Å; K475-T492 PolarHBondContact N-O 2.99Å; K475-T492 PolarHBondContact O-N 3.48Å; K475-T492 PolarHBondContact O-OG1 3.14Å; T492-T577 CarbonylContact C-O 3.49Å; T492-T577 WeakPolarHBondContact CA-O 3.27Å
493M94.1Very high81.9Confident8 Ų858.8 Ų58.84%0.03932%0.315CS..EExtended strand (participates in β ladder)trans-83.3137.1171.3-171.417071.100110.1F464 N465 A472 L474 E495 K576 T577 V579F464-M493 HydrophobicContact CB-SD 4.45Å; F464-M493 HydrophobicContact CD2-SD 4.2Å; N465-M493 VanDerWaalsContact O-CE 3.29Å; N465-M493 WeakPolarHBondContact O-CE 3.37Å; A472-M493 HydrophobicContact CB-CG 3.96Å; A472-M493 HydrophobicContact CB-SD 3.58Å; A472-M493 VanDerWaalsContact CB-SD 3.58Å; L474-M493 HydrophobicContact CD2-CB 3.67Å; L474-M493 HydrophobicContact CD2-CG 3.95Å; M493-E495 HydrophobicContact CE-CG 4.26Å; M493-E495 WeakPolarHBondContact CE-OE1 3.31Å; M493-K576 WeakPolarHBondContact O-CA 3.4Å; M493-T577 PolarHBondContact N-O 3.25Å; M493-T577 PolarHBondContact O-N 3.19Å; M493-V579 HydrophobicContact CB-CG2 3.85Å
494L91.6Very high79.4Confident32 Ų3261.5 Ų61.517%0.16834%0.343CS..EExtended strand (participates in β ladder)trans-114.6109.7-179.7-55-179.9000108.9K473 K475 V574 K576K473-L494 HydrophobicContact CD-CB 4.49Å; K473-L494 HydrophobicContact CG-CB 4.35Å; K473-L494 PolarHBondContact O-N 3.39Å; K475-L494 HydrophobicContact CB-CD1 4.13Å; L494-V574 HydrophobicContact CB-CG1 4.05Å; L494-V574 HydrophobicContact CD2-CG1 4.12Å; L494-K576 HydrophobicContact CD2-CD 4.39Å; L494-K576 HydrophobicContact CD2-CG 3.83Å
495E86.2Confident76.7Confident56 Ų5665.6 Ų65.626%0.26238%0.377SS..EExtended strand (participates in β ladder)trans-97.9121.4170.3-68171.4-146.600108M493 V574 K575M493-E495 HydrophobicContact CE-CG 4.26Å; M493-E495 WeakPolarHBondContact CE-OE1 3.31Å; E495-V574 CarbonylContact O-C 3.49Å; E495-V574 WeakPolarHBondContact O-CA 3.26Å; E495-K575 HydrophobicContact CB-CB 4.2Å; E495-K575 VanDerWaalsContact CD-NZ 3.28Å; E495-K575 PolarHBondContact N-O 2.6Å; E495-K575 PolarHBondContact O-N 3.47Å; E495-K575 IonicContact OE1-NZ 2.64Å; E495-K575 PolarHBondContact OE1-NZ 3.24Å; E495-K575 VanDerWaalsContact OE1-NZ 3.14Å; E495-K575 WeakPolarHBondContact OE2-CD 3.43Å; E495-K575 WeakPolarHBondContact OE2-CE 3.44Å; E495-K575 IonicContact OE2-NZ 3.66Å; E495-K575 PolarHBondContact OE2-NZ 3.36Å
496E80.7Confident73.9Confident84 Ų8471.8 Ų71.839%0.39342%0.415SS..EExtended strand (participates in β ladder)trans-86.9112.5172.2-74.4178.6-14100108.9K473 K572 V574K473-E496 IonicContact NZ-OE1 3.97Å; K473-E496 PolarHBondContact NZ-OE1 2.84Å; E496-K572 IonicContact OE2-NZ 3.84Å; E496-K572 PolarHBondContact OE2-NZ 3.15Å; E496-V574 HydrophobicContact CG-CG2 4.31Å
497E70.7Confident71.1Confident95 Ų9578 Ų7844%0.44445%0.453SS..EExtended strand (participates in β ladder)trans-105.1118.8174.4-169.7162.4-121.300109.2V499 K573E497-V499 PolarHBondContact O-N 3.08Å; E497-K573 PolarHBondContact N-O 3.34Å; E497-K573 PolarHBondContact O-N 3.12Å
498E64.6Low68.2Low138 Ų13885.3 Ų85.365%0.64549%0.485SS*.  trans-80.5106.5176-62.4-165.2146.400108.6K572E498-K572 WeakPolarHBondContact OE1-CE 3.4Å; E498-K572 IonicContact OE1-NZ 2.82Å
499V59.1Low65.6Low64 Ų6489.9 Ų89.939%0.38852%0.515SS..  trans-90.7107.1173.3179.90000107.1E497 V501 K573E497-V499 PolarHBondContact O-N 3.08Å; V499-V501 PolarHBondContact O-N 3.47Å; V499-V501 VanDerWaalsContact O-N 3.15Å; V499-K573 HydrophobicContact CG2-CB 3.79Å; V499-K573 HydrophobicContact CG2-CD 3.93Å
500E57.1Low63Low183 Ų18392.2 Ų92.286%0.85554%0.537SS*.PPolyproline II helixtrans-59.2116.6164.4-69-172.1143.400108.5P502E500-P502 WeakPolarHBondContact O-CD 3.28Å
501V53.4Low60.2Low100 Ų100100.2 Ų100.261%0.60657%0.567SS**PPolyproline II helixtrans-79.3118.2167-179.80000105.8V499 V503V499-V501 PolarHBondContact O-N 3.47Å; V499-V501 VanDerWaalsContact O-N 3.15Å; V501-V503 PolarHBondContact O-N 2.92Å; V501-V503 VanDerWaalsContact O-N 3.08Å
502P50.1Low57.4Low113 Ų113107.7 Ų107.773%0.73461%0.606SS**PPolyproline II helixtrans-63117.6178.825.3-33000108.8E500 A504E500-P502 WeakPolarHBondContact O-CD 3.28Å; P502-A504 PolarHBondContact O-N 3.28Å
503V46.1Very low54.3Low132 Ų132111.5 Ų111.580%0.863%0.634SS**  trans-63.3110.8175.8179.70000107.7V501 A505V501-V503 PolarHBondContact O-N 2.92Å; V501-V503 VanDerWaalsContact O-N 3.08Å; V503-A505 PolarHBondContact O-N 2.69Å
504A44.5Very low51.6Low87 Ų87115.6 Ų115.672%0.71967%0.669SS**  trans-66.3102.9175.100000108.5P502 T506P502-A504 PolarHBondContact O-N 3.28Å; A504-T506 PolarHBondContact O-N 2.57Å
505A40.2Very low48.9Very low87 Ų87124.1 Ų124.172%0.71971%0.705SS**  trans-67.595-175.100000111.2V503 T507V503-A505 PolarHBondContact O-N 2.69Å; A505-T507 PolarHBondContact O-N 2.73Å
506T40Very low46.3Very low134 Ų134130 Ų13082%0.82273%0.734SS**  trans-67.295.5171.444.40000110A504 E508A504-T506 PolarHBondContact O-N 2.57Å; T506-E508 PolarHBondContact O-N 2.66Å
507T38.2Very low44.2Very low131 Ų131134.4 Ų134.480%0.80476%0.755SS**  trans-77.2105.4166.323.90000108.8A505 P509A505-T507 PolarHBondContact O-N 2.73Å; T507-P509 WeakPolarHBondContact O-CD 3.27Å
508E36.3Very low42.4Very low186 Ų186135.5 Ų135.587%0.86977%0.768SS**PPolyproline II helixtrans-72.9129167.9-68.5-167.4144.600110.7T506T506-E508 PolarHBondContact O-N 2.66Å
509P41.7Very low40.7Very low111 Ų111136.2 Ų136.272%0.72178%0.777SS**PPolyproline II helixtrans-88.3151.1146.334.4-29.7000110T507T507-P509 WeakPolarHBondContact O-CD 3.27Å
510P39.3Very low39.6Very low128 Ų128140.7 Ų140.783%0.83180%0.799SS**PPolyproline II helixtrans-74.6157.2-168.229.9-36.4000114.4
511K36.5Very low38.6Very low206 Ų206135.9 Ų135.990%0.89679%0.79SS**PPolyproline II helixtrans-62.4142.6173.8-60.1170.1-178.51720111.9
512D37.5Very low37.9Very low159 Ų159137.1 Ų137.185%0.8580%0.8SS**  trans-142.7169.6136.4-145.4-26000110.1
513S33.5Very low37.3Very low108 Ų108138.1 Ų138.176%0.75580%0.799SS**  trans-131.6133.5-153.2610000115.3
514A35.5Very low36.7Very low94 Ų94140 Ų14078%0.77780%0.799SS**  trans-160.6112.9161.900000114.4
515K36.6Very low36.3Very low210 Ų210140.1 Ų140.191%0.91380%0.8SS**  trans65.8147.7146.2-65.5-169.6170.5-167.50122.5
516M31.3Very low36.1Very low179 Ų179140.5 Ų140.588%0.88280%0.804SS**  trans-93.1156.6163.3-55.3164.3176.900110.1
517E35.6Very low35.9Very low177 Ų177140.4 Ų140.483%0.82781%0.808SS**  trans163.397.8137.3-92.4166.1-170.300107.5
518T32.9Very low35.8Very low118 Ų118137.4 Ų137.472%0.72480%0.803SS**  86.3122.294.349.90000114.4
519D30.4Very low35.7Very low153 Ų153134.7 Ų134.782%0.81880%0.8SS**  trans57.7147.5164.4-49.5-27.4000117
520D34.2Very low35.3Very low159 Ų159136 Ų13685%0.8580%0.801SS**  cis-152.417929.9-148.3-30.2000111.8
521A37Very low35.2Very low82 Ų82136.8 Ų136.868%0.67880%0.803SS**  trans-94.7168.2177.800000112.8
522P38.7Very low35Very low125 Ų125133.1 Ų133.181%0.81279%0.793SS**  -155.4-170.47742-20.5000117.3
523N37Very low34.9Very low135 Ų135133.4 Ų133.472%0.72279%0.791SS**  trans-31.2168.5163.8-77.913.7000118.4
524E34.3Very low35Very low170 Ų170135.7 Ų135.779%0.79479%0.79SS**  cis-155.9163.418.9-133.3146.4-110.200107.9
525A35.4Very low34.6Very low90 Ų90138.8 Ų138.874%0.74479%0.788SS**  cis175.4166.244.900000107.2
526A36.5Very low34.5Very low95 Ų95133.8 Ų133.879%0.78579%0.786SS**  cis-167.2172.5-13.800000110.5
527S35.8Very low34.5Very low132 Ų132133.7 Ų133.792%0.92378%0.781SS**  trans75.3120.1168.9-156.40000117.5
528G35.2Very low34.2Very low68 Ų68129.6 Ų129.670%0.70178%0.777SS**  cis-170.6168.5-0.300000115.1
529T34Very low34.5Very low129 Ų129130.5 Ų130.579%0.79179%0.785SS**  trans-20.1132.7177.547.90000118.4
530D33.5Very low34.5Very low140 Ų140127.5 Ų127.575%0.74978%0.782SS**  64.8141.471.6-93.1-52.9000114.2
531V37.2Very low34.4Very low144 Ų144127.8 Ų127.887%0.87378%0.784SS**  cis-128.4161.429.1-87.70000116.4
532N33Very low34.1Very low128 Ų128128 Ų12868%0.68479%0.785SS**  trans-102.9154.8-174.7175.412.8000113.4Q534N532-Q534 PolarHBondContact OD1-N 2.92Å
533M36Very low33.8Very low165 Ų165127 Ų12781%0.81379%0.787SS**  trans-147.872156.5-107.4-60.9172.600114.2
534Q34.3Very low33.5Very low156 Ų156124.4 Ų124.473%0.72978%0.784SS**  trans66122.6144.1-66.5-175.7-24.700122.2N532N532-Q534 PolarHBondContact OD1-N 2.92Å
535E28Very low33.4Very low159 Ų159124.4 Ų124.474%0.74379%0.79SS**  trans-79.6163.3154.3-52.4-177.4129.600112.1K537E535-K537 WeakPolarHBondContact OE2-CE 3.49Å; E535-K537 IonicContact OE2-NZ 3.76Å
536A33.5Very low33.2Very low105 Ų105123.4 Ų123.487%0.86879%0.789SS**  trans-140.5152147.200000109.7
537K31.7Very low33Very low177 Ų177123.7 Ų123.777%0.7779%0.791SS**  trans-107.7161.5-162.7-76.6175.4178.7166.60115.6E535E535-K537 WeakPolarHBondContact OE2-CE 3.49Å; E535-K537 IonicContact OE2-NZ 3.76Å
538A30.5Very low32.7Very low91 Ų91125.5 Ų125.575%0.75279%0.785SS**  trans-46.2168160.300000113.4
539P38.2Very low32.8Very low137 Ų137130.1 Ų130.189%0.8979%0.793SS**  -142.1-158.450.941.1-19.8000115.5
540A30.8Very low32.6Very low91 Ų91127.5 Ų127.575%0.75279%0.792SS**  trans-125.9160.9-166.400000113.6
541D31.6Very low32.7Very low165 Ų165125.3 Ų125.388%0.88279%0.793SS**  trans-164.6168.4156.8-95.5-33000107.9
542A30.7Very low32.7Very low86 Ų86123.6 Ų123.671%0.71179%0.785SS**  cis17287.1-44.900000109.7
543A33.4Very low32.6Very low104 Ų104124.7 Ų124.786%0.8679%0.791SS**  trans176.5166.2166.600000110.3
544A29.9Very low32.7Very low80 Ų80122.8 Ų122.866%0.66179%0.794SS**  cis-178.9159.8-37.200000106.9
545D31.5Very low32.4Very low171 Ų171124.2 Ų124.291%0.91480%0.8SS**  trans61.2140.5173.8-55.6-24000118.3
546G31Very low32.7Very low69 Ų69124.2 Ų124.271%0.71180%0.8SS**  cis172.6145.4-11.100000114
547A32.8Very low32.8Very low100 Ų100127.8 Ų127.883%0.82680%0.796SS**  trans53.4162.4149.800000120.1
548E31Very low32.6Very low171 Ų171124.8 Ų124.880%0.79980%0.798SS**  cis-157.31540.3-152.7173.1-160.700110.7
549N36.1Very low32.8Very low164 Ų164127.4 Ų127.488%0.87780%0.804SS**  trans178.7139.2130.5-101-70.1000111.9
550G30.5Very low32.8Very low74 Ų74126.3 Ų126.376%0.76380%0.797SS**  trans-92.4-160.917700000114
551A34.7Very low32.8Very low94 Ų94130.2 Ų130.278%0.77780%0.801SS**  cis-157.5-156.110.200000110.6
552P38.5Very low32.9Very low108 Ų108131.5 Ų131.570%0.70180%0.802SS**  -134.2-173.1-88.243.5-27.3000116.1
553N30.7Very low33.1Very low152 Ų152133.1 Ų133.181%0.81380%0.803SS**  trans70.9112.6157.2-71.811.4000121.4
554S37Very low32.9Very low124 Ų124135.8 Ų135.887%0.86780%0.803SS**  -145.5144.7116.859.40000110.7
555E29.5Very low33.3Very low186 Ų186136.2 Ų136.287%0.86981%0.807SS**  trans-107.9139.3172.5-59179.812800109.1
556E33.7Very low33.4Very low159 Ų159137.3 Ų137.374%0.74380%0.803SS**  -164.8132.2127-112.1-165.5145.300115.4
557K34.6Very low33.8Very low181 Ų181140.2 Ų140.279%0.78781%0.807SS**  trans24.8130.2149.8-65.7163.2-168.3145.80121.8
558S28.9Very low34.5Very low114 Ų114143.3 Ų143.380%0.79780%0.804SS**  trans-83.4147.7165.956.10000115
559V34.5Very low35.1Very low146 Ų146141 Ų14189%0.88580%0.804SS**  trans-147.9157144.2-99.10000109.4
560P36.6Very low35.8Very low113 Ų113137 Ų13773%0.73479%0.789SS**  trans-119.7165.3-14941.7-32000117.1
561M31.8Very low36.9Very low173 Ų173141.8 Ų141.885%0.85279%0.789SS**  trans55124.1159-71.7-177.56800119.8
562E34.7Very low38.2Very low193 Ų193142 Ų14290%0.90277%0.772SS**  -144.9151.3119.1-128.8170.3-154.500111.9
563T33.1Very low39.9Very low119 Ų119143.3 Ų143.373%0.7377%0.767SS**  trans-56.1146.6-158.746.90000119.6A565T563-A565 PolarHBondContact O-N 3.2Å
564D31Very low42.2Very low160 Ų160139.2 Ų139.286%0.85675%0.747SS**  trans-55.5117.6161.9-81.2-76.3000113.4K566D564-K566 PolarHBondContact O-N 3.36Å
565A37Very low44.6Very low89 Ų89138.1 Ų138.174%0.73673%0.727SS**  trans-85.485.1159.600000109.5T563 V567T563-A565 PolarHBondContact O-N 3.2Å; A565-V567 VanDerWaalsContact C-N 3.29Å; A565-V567 PolarHBondContact O-N 3.15Å
566K34.4Very low47.6Very low195 Ų195136.4 Ų136.485%0.84872%0.717SS**  trans-72.976.3-176.9-166.8-176.3-178.6-175.40112.4D564 E568D564-K566 PolarHBondContact O-N 3.36Å; K566-E568 PolarHBondContact O-N 3.25Å
567V39Very low50.4Low130 Ų130131.2 Ų131.279%0.78870%0.696SS**  trans-68.5122174.2179.70000110A565A565-V567 VanDerWaalsContact C-N 3.29Å; A565-V567 PolarHBondContact O-N 3.15Å
568E46.5Very low53.3Low164 Ų164129 Ų12977%0.76669%0.693SS**  trans-70.8143.1173.7-64.8-161.4135.300111.7K566 S570K566-E568 PolarHBondContact O-N 3.25Å; E568-S570 PolarHBondContact O-N 3.03Å
569P44.2Very low56.6Low122 Ų122124.1 Ų124.179%0.79266%0.658SS**  trans-75.2101-175.929.6-34.6000111.7K571P569-K571 PolarHBondContact O-N 3.44Å
570S52.1Low59.5Low80 Ų80120.7 Ų120.756%0.55964%0.639SS**  trans-59.2127.5170.862.30000110.7E568 K572E568-S570 PolarHBondContact O-N 3.03Å; S570-K572 VanDerWaalsContact C-N 3.25Å; S570-K572 PolarHBondContact O-N 2.99Å
571K52.9Low62.4Low175 Ų175117.7 Ų117.776%0.76162%0.618SS**  trans-78.274-178.3-75.9-176.21771740111P569 K573P569-K571 PolarHBondContact O-N 3.44Å; K571-K573 PolarHBondContact O-N 2.83Å
572K62Low65.5Low99 Ų99112.4 Ų112.443%0.4360%0.602SS.*  trans-49123.9176.1-71.8-170159.2-159.60112.2E496 E498 S570E496-K572 IonicContact OE2-NZ 3.84Å; E496-K572 PolarHBondContact OE2-NZ 3.15Å; E498-K572 WeakPolarHBondContact OE1-CE 3.4Å; E498-K572 IonicContact OE1-NZ 2.82Å; S570-K572 VanDerWaalsContact C-N 3.25Å; S570-K572 PolarHBondContact O-N 2.99Å
573K73.4Confident68.4Low135 Ų135107.8 Ų107.859%0.58758%0.58SS**EExtended strand (participates in β ladder)trans-96.5107.7178.6-168.5178.6179.6-173.50109E497 V499 K571 K575E497-K573 PolarHBondContact N-O 3.34Å; E497-K573 PolarHBondContact O-N 3.12Å; V499-K573 HydrophobicContact CG2-CB 3.79Å; V499-K573 HydrophobicContact CG2-CD 3.93Å; K571-K573 PolarHBondContact O-N 2.83Å; K573-K575 PolarHBondContact O-N 2.91Å
574V80.1Confident71.3Confident67 Ų67107 Ų10741%0.40657%0.571SS.*EExtended strand (participates in β ladder)trans-88.1102.8-179.6-171.90000110.1L494 E495 E496L494-V574 HydrophobicContact CB-CG1 4.05Å; L494-V574 HydrophobicContact CD2-CG1 4.12Å; E495-V574 CarbonylContact O-C 3.49Å; E495-V574 WeakPolarHBondContact O-CA 3.26Å; E496-V574 HydrophobicContact CG-CG2 4.31Å
575K87.4Confident74.4Confident100 Ų100100.4 Ų100.444%0.43554%0.536SS..EExtended strand (participates in β ladder)trans-72.7135.1169.9170.5-177.9162.6-148.20108.9E495 K573E495-K575 HydrophobicContact CB-CB 4.2Å; E495-K575 VanDerWaalsContact CD-NZ 3.28Å; E495-K575 PolarHBondContact N-O 2.6Å; E495-K575 PolarHBondContact O-N 3.47Å; E495-K575 IonicContact OE1-NZ 2.64Å; E495-K575 PolarHBondContact OE1-NZ 3.24Å; E495-K575 VanDerWaalsContact OE1-NZ 3.14Å; E495-K575 WeakPolarHBondContact OE2-CD 3.43Å; E495-K575 WeakPolarHBondContact OE2-CE 3.44Å; E495-K575 IonicContact OE2-NZ 3.66Å; E495-K575 PolarHBondContact OE2-NZ 3.36Å; K573-K575 PolarHBondContact O-N 2.91Å
576K91.8Very high77Confident151 Ų151100.1 Ų100.166%0.65752%0.517SS*.EExtended strand (participates in β ladder)trans-117.9125.7-178.4-57.3-177.9-175.1167.30109.6M493 L494M493-K576 WeakPolarHBondContact O-CA 3.4Å; L494-K576 HydrophobicContact CD2-CD 4.39Å; L494-K576 HydrophobicContact CD2-CG 3.83Å
577T93.2Very high79.7Confident49 Ų4992.7 Ų92.730%0.30150%0.495SS..EExtended strand (participates in β ladder)trans-120.2123.7178.1-52.10000108.5T492 M493T492-T577 CarbonylContact C-O 3.49Å; T492-T577 WeakPolarHBondContact CA-O 3.27Å; M493-T577 PolarHBondContact N-O 3.25Å; M493-T577 PolarHBondContact O-N 3.19Å
578N96Very high82.3Confident135 Ų13588 Ų8872%0.72247%0.47SS*.EExtended strand (participates in β ladder)trans-67.7136.5174.3-70.9-7.5000109.7
579V96.4Very high84.4Confident12 Ų1282.5 Ų82.57%0.07345%0.446CS..EExtended strand (participates in β ladder)trans-112.5133.7180174.80000108.5V461 F464 L474 A491 M493V461-V579 HydrophobicContact CG1-CG1 4Å; F464-V579 HydrophobicContact CB-CG1 4.05Å; F464-V579 HydrophobicContact CB-CG2 3.91Å; F464-V579 HydrophobicContact CD1-CG1 3.86Å; F464-V579 HydrophobicContact CG-CG1 4.35Å; L474-V579 HydrophobicContact CD2-CG2 3.92Å; A491-V579 HydrophobicContact CB-CB 3.94Å; A491-V579 HydrophobicContact CB-CG1 4.33Å; A491-V579 PolarHBondContact O-N 3.01Å; M493-V579 HydrophobicContact CB-CG2 3.85Å
580P97.2Very high86.7Confident74 Ų7478.1 Ų78.148%0.48142%0.423SS..  trans-59.4146177.9-21.733.1000112.2G462 P463G462-P580 PolarHBondContact N-O 2.9Å; P463-P580 WeakPolarHBondContact O-CD 3.31Å
581V97Very high88.7Confident50 Ų5080 Ų8030%0.30343%0.432SS..EExtended strand (participates in β ladder)trans-131.5123.9174.3-177.10000107.6Y459 T460 V461 V488 A491Y459-V581 HydrophobicContact CD1-CG1 3.81Å; Y459-V581 HydrophobicContact CG-CG1 4.36Å; T460-V581 WeakPolarHBondContact O-CA 3.49Å; V461-V581 HydrophobicContact CG2-CG1 4.46Å; V461-V581 HydrophobicContact CG2-CG2 4.34Å; V488-V581 HydrophobicContact CB-CG1 4.41Å; V488-V581 HydrophobicContact CG1-CG1 4.02Å; V488-V581 HydrophobicContact CG1-CG2 4.45Å; A491-V581 HydrophobicContact CB-CG2 3.58Å
582A96.3Very high90.7Very high61 Ų6176.1 Ų76.150%0.50442%0.422SS..EExtended strand (participates in β ladder)trans-102.6136.6169.900000109.7Y459 T460Y459-A582 CarbonylContact C-O 3.57Å; Y459-A582 VanDerWaalsContact CA-O 3.29Å; Y459-A582 WeakPolarHBondContact CA-O 3.47Å; T460-A582 PolarHBondContact N-O 2.97Å; T460-A582 PolarHBondContact O-N 3.08Å
583E95.4Very high92.3Very high97 Ų9776.7 Ų76.745%0.45343%0.427SS..EExtended strand (participates in β ladder)trans-106.2138-179178.5168.4-152.600111R154 Y459 V585R154-E583 IonicContact CZ-OE1 3.78Å; R154-E583 IonicContact NH1-OE1 2.69Å; R154-E583 IonicContact NH2-OE1 3.03Å; R154-E583 PolarHBondContact NH2-OE1 2.35Å; Y459-E583 HydrophobicContact CD1-CB 3.81Å; Y459-E583 HydrophobicContact CD1-CG 4.05Å; Y459-E583 HydrophobicContact CE1-CB 3.5Å; Y459-E583 VanDerWaalsContact CE1-CD 3.47Å; Y459-E583 HydrophobicContact CE1-CG 3.34Å; Y459-E583 PolarHBondContact OH-OE1 2.71Å; E583-V585 HydrophobicContact CG-CG2 3.69Å; E583-V585 VanDerWaalsContact OE1-CG2 3.23Å; E583-V585 WeakPolarHBondContact OE1-CG2 3.36Å
584L95.2Very high93.4Very high102 Ų10271.7 Ų71.753%0.53441%0.406SS..EExtended strand (participates in β ladder)trans-129.7108164.4174.163.1000108.5S457 T458 Y586S457-L584 CarbonylContact C-O 3.53Å; S457-L584 WeakPolarHBondContact CA-O 3.26Å; S457-L584 WeakPolarHBondContact CB-O 3.39Å; T458-L584 PolarHBondContact N-O 2.89Å; T458-L584 PolarHBondContact O-N 2.91Å; L584-Y586 HydrophobicContact CD2-CE1 4.09Å; L584-Y586 HydrophobicContact CG-CE1 4.43Å
585V94.8Very high94.3Very high21 Ų2173.2 Ų73.213%0.12741%0.409CS..EExtended strand (participates in β ladder)trans-95.5130.7173.7-170.90000108.9E583 G587 A588E583-V585 HydrophobicContact CG-CG2 3.69Å; E583-V585 VanDerWaalsContact OE1-CG2 3.23Å; E583-V585 WeakPolarHBondContact OE1-CG2 3.36Å; V585-G587 PolarHBondContact O-N 2.92Å; V585-A588 HydrophobicContact CB-CB 3.86Å; V585-A588 HydrophobicContact CG1-CB 3.8Å
586Y92.4Very high94.8Very high84 Ų8474.7 Ų74.733%0.32942%0.415SS..THydrogen-bonded Turntrans-77.6111.2-175.4-63.9-63.8000111.3K455 I456 T458 L584K455-Y586 HydrophobicContact CB-CD2 3.9Å; K455-Y586 HydrophobicContact CB-CE2 3.78Å; K455-Y586 HydrophobicContact CD-CE2 3.83Å; K455-Y586 HydrophobicContact CG-CE2 4.34Å; K455-Y586 PolarHBondContact NZ-OH 3.44Å; I456-Y586 WeakPolarHBondContact O-CD2 3.46Å; I456-Y586 PolarHBondContact O-N 3.3Å; T458-Y586 PolarHBondContact OG1-OH 3.15Å; L584-Y586 HydrophobicContact CD2-CE1 4.09Å; L584-Y586 HydrophobicContact CG-CE1 4.43Å
587G91.3Very high95.1Very high38 Ų3867.6 Ų67.639%0.39239%0.385SS..THydrogen-bonded Turntrans84.94.5175.200000115.8L151 V585L151-G587 VanDerWaalsContact CD1-C 3.47Å; L151-G587 WeakPolarHBondContact CD1-O 3.44Å; V585-G587 PolarHBondContact O-N 2.92Å
588A92.6Very high95.4Very high31 Ų3167.3 Ų67.326%0.25638%0.383SS..PPolyproline II helixtrans-76.5152.4169.700000110.5L151 V585L151-A588 HydrophobicContact CD1-CB 4.19Å; V585-A588 HydrophobicContact CB-CB 3.86Å; V585-A588 HydrophobicContact CG1-CB 3.8Å
589L91.7Very high95.5Very high49 Ų4965.3 Ų65.326%0.25737%0.369SS..PPolyproline II helixtrans-64.9137.7175.5-76.9159.1000111T115 D158 E593T115-L589 HydrophobicContact CG2-CD1 3.67Å; D158-L589 HydrophobicContact CB-CD1 4.14Å; L589-E593 HydrophobicContact CD2-CB 3.93Å
590G91.6Very high95.5Very high31 Ų3166.9 Ų66.932%0.3238%0.375SS..PPolyproline II helixtrans-66.5150.8166.900000111.1T592 E593 L594G590-T592 PolarHBondContact O-N 2.68Å; G590-E593 PolarHBondContact N-OE2 3.41Å; G590-E593 WeakPolarHBondContact O-CA 3.48Å; G590-E593 WeakPolarHBondContact O-CB 3.33Å; G590-E593 PolarHBondContact O-N 2.57Å; G590-L594 PolarHBondContact O-N 3.45Å
591T93.5Very high95.6Very high120 Ų12063.6 Ų63.674%0.73635%0.353SS*.Hα-helixtrans-54.2-40.2179.449.10000112.8E593 Q595T591-E593 VanDerWaalsContact C-N 3.3Å; T591-E593 PolarHBondContact O-N 2.66Å; T591-Q595 WeakPolarHBondContact O-CB 3.4Å; T591-Q595 PolarHBondContact O-N 3.03Å
592T96.1Very high95.6Very high92 Ų9268.7 Ų68.756%0.56437%0.368SS*.Hα-helixtrans-65.7-28.6174.8-48.10000113.4G590 K596G590-T592 PolarHBondContact O-N 2.68Å; T592-K596 WeakPolarHBondContact O-CD 3.34Å; T592-K596 VanDerWaalsContact O-CG 3.27Å; T592-K596 WeakPolarHBondContact O-CG 3.29Å; T592-K596 PolarHBondContact O-N 3.18Å
593E95.3Very high95.7Very high112 Ų11271.9 Ų71.952%0.52337%0.373SS..Hα-helixtrans-83.8-39.1180-57.8175.6136.900110.7L589 G590 T591 K596 A597L589-E593 HydrophobicContact CD2-CB 3.93Å; G590-E593 PolarHBondContact N-OE2 3.41Å; G590-E593 WeakPolarHBondContact O-CA 3.48Å; G590-E593 WeakPolarHBondContact O-CB 3.33Å; G590-E593 PolarHBondContact O-N 2.57Å; T591-E593 VanDerWaalsContact C-N 3.3Å; T591-E593 PolarHBondContact O-N 2.66Å; E593-K596 PolarHBondContact O-N 2.85Å; E593-A597 WeakPolarHBondContact O-CB 3.34Å; E593-A597 PolarHBondContact O-N 3.01Å
594L97.2Very high95.9Very high30 Ų3067.9 Ų67.916%0.15735%0.354CS..Hα-helixtrans-59.6-47.2170.4-177.560.6000111D158 T161 I162 G590 K596 A597 V598D158-L594 HydrophobicContact CB-CD1 3.87Å; T161-L594 HydrophobicContact CG2-CD2 4.25Å; I162-L594 HydrophobicContact CD1-CD1 3.89Å; I162-L594 HydrophobicContact CG1-CD1 3.72Å; G590-L594 PolarHBondContact O-N 3.45Å; L594-K596 PolarHBondContact O-N 2.61Å; L594-A597 WeakPolarHBondContact O-CA 3.21Å; L594-A597 WeakPolarHBondContact O-CB 3.42Å; L594-A597 PolarHBondContact O-N 3.16Å; L594-V598 WeakPolarHBondContact O-CG2 3.16Å; L594-V598 PolarHBondContact O-N 3.21Å
595Q97.9Very high96Very high99 Ų9964.5 Ų64.546%0.46334%0.341SS..Hα-helixtrans-59.3-45.8176.6-179.757.933.700112.2T591 A597 V598 E599T591-Q595 WeakPolarHBondContact O-CB 3.4Å; T591-Q595 PolarHBondContact O-N 3.03Å; Q595-A597 PolarHBondContact O-N 2.93Å; Q595-V598 WeakPolarHBondContact O-CB 2.96Å; Q595-V598 PolarHBondContact O-N 3.46Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.23Å; Q595-E599 PolarHBondContact NE2-OE1 3.31Å; Q595-E599 WeakPolarHBondContact O-CG 3.48Å; Q595-E599 PolarHBondContact O-N 3.48Å
596K98Very high96.1Very high131 Ų13166.8 Ų66.857%0.5735%0.352SS*.Hα-helixtrans-62.5-30.5173.7-74.1171.3-179.2-179.90113.2T592 E593 L594 K600T592-K596 WeakPolarHBondContact O-CD 3.34Å; T592-K596 VanDerWaalsContact O-CG 3.27Å; T592-K596 WeakPolarHBondContact O-CG 3.29Å; T592-K596 PolarHBondContact O-N 3.18Å; E593-K596 PolarHBondContact O-N 2.85Å; L594-K596 PolarHBondContact O-N 2.61Å; K596-K600 VanDerWaalsContact O-CB 3.28Å; K596-K600 WeakPolarHBondContact O-CB 3.32Å; K596-K600 PolarHBondContact O-N 3.06Å
597A98.2Very high96.3Very high2 Ų265.8 Ų65.82%0.01735%0.35CS..Hα-helixtrans-73.3-38175.800000111.9Q116 I162 E593 L594 Q595 E601Q116-A597 HydrophobicContact CG-CB 4.03Å; I162-A597 HydrophobicContact CD1-CB 3.54Å; I162-A597 HydrophobicContact CG1-CB 3.81Å; I162-A597 WeakPolarHBondContact CG2-O 3.46Å; E593-A597 WeakPolarHBondContact O-CB 3.34Å; E593-A597 PolarHBondContact O-N 3.01Å; L594-A597 WeakPolarHBondContact O-CA 3.21Å; L594-A597 WeakPolarHBondContact O-CB 3.42Å; L594-A597 PolarHBondContact O-N 3.16Å; Q595-A597 PolarHBondContact O-N 2.93Å; A597-E601 WeakPolarHBondContact O-CB 3.36Å; A597-E601 PolarHBondContact O-N 2.73Å
598V98.6Very high96.6Very high43 Ų4365.1 Ų65.126%0.26134%0.338SS..Hα-helixtrans-59.2-49.5170.2176.40000110.3I162 L594 Q595 E601 Y602I162-V598 HydrophobicContact CG1-CG2 4.14Å; L594-V598 WeakPolarHBondContact O-CG2 3.16Å; L594-V598 PolarHBondContact O-N 3.21Å; Q595-V598 WeakPolarHBondContact O-CB 2.96Å; Q595-V598 PolarHBondContact O-N 3.46Å; V598-E601 PolarHBondContact O-N 3.37Å; V598-Y602 PolarHBondContact O-N 3.09Å
599E98.3Very high96.8Very high92 Ų9270.1 Ų70.143%0.4335%0.35SS..Hα-helixtrans-59.7-49.6178.9-72.3160.3-174.200111.7Q595 E601 Y602 E603Q595-E599 WeakPolarHBondContact CG-OE1 3.23Å; Q595-E599 PolarHBondContact NE2-OE1 3.31Å; Q595-E599 WeakPolarHBondContact O-CG 3.48Å; Q595-E599 PolarHBondContact O-N 3.48Å; E599-E601 PolarHBondContact O-N 2.8Å; E599-Y602 WeakPolarHBondContact O-CB 3.28Å; E599-Y602 PolarHBondContact O-N 2.91Å; E599-E603 WeakPolarHBondContact O-CG 3.4Å; E599-E603 PolarHBondContact O-N 3.11Å
600K97.8Very high97.1Very high45 Ų4570.7 Ų70.720%0.19636%0.355CS..Hα-helixtrans-62.8-38.1177.8-169.6-171.5172.7-169.40112.4V111 K596 E603 M604V111-K600 PolarHBondContact O-NZ 3.36Å; V111-K600 VanDerWaalsContact O-NZ 3.16Å; K596-K600 VanDerWaalsContact O-CB 3.28Å; K596-K600 WeakPolarHBondContact O-CB 3.32Å; K596-K600 PolarHBondContact O-N 3.06Å; K600-E603 PolarHBondContact O-N 3.4Å; K600-M604 HydrophobicContact CD-CE 4.44Å; K600-M604 HydrophobicContact CG-CE 4.01Å; K600-M604 HydrophobicContact CG-SD 4.39Å; K600-M604 WeakPolarHBondContact O-CE 3.45Å; K600-M604 VanDerWaalsContact O-CG 3.29Å; K600-M604 WeakPolarHBondContact O-CG 3.32Å; K600-M604 PolarHBondContact O-N 3.1Å
601E98.4Very high97.3Very high6 Ų671.1 Ų71.13%0.02835%0.349CS..Hα-helixtrans-66.6-40.5175.6-179.458.1-153.400111.6R46 S123 I162 A597 V598 E599 M604 A605R46-E601 IonicContact CZ-OE1 3.6Å; R46-E601 IonicContact CZ-OE2 3.11Å; R46-E601 VanDerWaalsContact NH1-CD 3.26Å; R46-E601 IonicContact NH1-OE1 2.8Å; R46-E601 PolarHBondContact NH1-OE1 2.78Å; R46-E601 IonicContact NH1-OE2 2.76Å; R46-E601 PolarHBondContact NH1-OE2 3.26Å; R46-E601 IonicContact NH2-OE1 3.7Å; R46-E601 PolarHBondContact NH2-OE1 2.6Å; R46-E601 IonicContact NH2-OE2 2.65Å; S123-E601 PolarHBondContact OG-OE1 2.84Å; S123-E601 VanDerWaalsContact OG-OE1 3.14Å; I162-E601 HydrophobicContact CG2-CB 3.5Å; I162-E601 VanDerWaalsContact CG2-CB 3.5Å; I162-E601 HydrophobicContact CG2-CG 3.92Å; A597-E601 WeakPolarHBondContact O-CB 3.36Å; A597-E601 PolarHBondContact O-N 2.73Å; V598-E601 PolarHBondContact O-N 3.37Å; E599-E601 PolarHBondContact O-N 2.8Å; E601-M604 PolarHBondContact O-N 2.92Å; E601-M604 WeakPolarHBondContact OE2-CE 3.49Å; E601-A605 VanDerWaalsContact O-CB 3.28Å; E601-A605 WeakPolarHBondContact O-CB 3.24Å; E601-A605 PolarHBondContact O-N 2.75Å
602Y97.9Very high97.4Very high156 Ų15668.8 Ų68.861%0.61233%0.33SS*.Hα-helixtrans-61.2-44.3174.5179.3-91000112V598 E599 L606V598-Y602 PolarHBondContact O-N 3.09Å; E599-Y602 WeakPolarHBondContact O-CB 3.28Å; E599-Y602 PolarHBondContact O-N 2.91Å; Y602-L606 HydrophobicContact CE1-CD2 4.38Å; Y602-L606 VanDerWaalsContact O-CB 3.29Å; Y602-L606 WeakPolarHBondContact O-CB 3.3Å; Y602-L606 PolarHBondContact O-N 3.39Å
603E98Very high97.5Very high129 Ų12967.7 Ų67.760%0.60332%0.319SS*.Hα-helixtrans-58.4-47.6173.9-71.3175167.500112.1E599 K600 L606 Q607E599-E603 WeakPolarHBondContact O-CG 3.4Å; E599-E603 PolarHBondContact O-N 3.11Å; K600-E603 PolarHBondContact O-N 3.4Å; E603-L606 PolarHBondContact O-N 2.78Å; E603-Q607 PolarHBondContact O-N 2.9Å
604M98.3Very high97.6Very high12 Ų1263 Ų636%0.05930%0.298CS..Hα-helixtrans-68.5-42.9-179.1-67.1-178.2-6000112.1Y105 F112 M120 K600 E601 L606 Q607 D608Y105-M604 HydrophobicContact CE1-CG 4.01Å; Y105-M604 HydrophobicContact CE1-SD 4.15Å; F112-M604 HydrophobicContact CE1-CE 4.1Å; F112-M604 HydrophobicContact CE1-SD 3.68Å; F112-M604 HydrophobicContact CZ-SD 4.14Å; M120-M604 HydrophobicContact CE-CE 3.67Å; M120-M604 HydrophobicContact CE-SD 4.34Å; K600-M604 HydrophobicContact CD-CE 4.44Å; K600-M604 HydrophobicContact CG-CE 4.01Å; K600-M604 HydrophobicContact CG-SD 4.39Å; K600-M604 WeakPolarHBondContact O-CE 3.45Å; K600-M604 VanDerWaalsContact O-CG 3.29Å; K600-M604 WeakPolarHBondContact O-CG 3.32Å; K600-M604 PolarHBondContact O-N 3.1Å; E601-M604 PolarHBondContact O-N 2.92Å; E601-M604 WeakPolarHBondContact OE2-CE 3.49Å; M604-L606 VanDerWaalsContact C-N 3.27Å; M604-L606 PolarHBondContact O-N 3.33Å; M604-Q607 WeakPolarHBondContact O-CB 3.27Å; M604-Q607 PolarHBondContact O-N 2.77Å; M604-D608 PolarHBondContact O-N 2.84Å; M604-D608 VanDerWaalsContact O-OD2 3.13Å
605A97.3Very high97.5Very high31 Ų3166.3 Ų66.326%0.25631%0.311SS..Hα-helixtrans-66.8-28.3176.700000112.8E601 R609E601-A605 VanDerWaalsContact O-CB 3.28Å; E601-A605 WeakPolarHBondContact O-CB 3.24Å; E601-A605 PolarHBondContact O-N 2.75Å; A605-R609 WeakPolarHBondContact O-CB 3.46Å; A605-R609 PolarHBondContact O-N 2.92Å; A605-R609 VanDerWaalsContact O-N 3.11Å
606L97.1Very high97.5Very high69 Ų6965.6 Ų65.636%0.36131%0.31SS..Hα-helixtrans-71.1-42.6170.8-178.260.1000111.5Y602 E603 M604 R609 V610Y602-L606 HydrophobicContact CE1-CD2 4.38Å; Y602-L606 VanDerWaalsContact O-CB 3.29Å; Y602-L606 WeakPolarHBondContact O-CB 3.3Å; Y602-L606 PolarHBondContact O-N 3.39Å; E603-L606 PolarHBondContact O-N 2.78Å; M604-L606 VanDerWaalsContact C-N 3.27Å; M604-L606 PolarHBondContact O-N 3.33Å; L606-R609 PolarHBondContact O-N 2.92Å; L606-V610 HydrophobicContact CD1-CG2 4.33Å; L606-V610 WeakPolarHBondContact O-CG2 3.41Å; L606-V610 PolarHBondContact O-N 3.01Å
607Q97.7Very high97.5Very high63 Ų6363 Ų6329%0.29430%0.299SS..Hα-helixtrans-59.5-47.7173.5176.761.622.600111.5K44 L106 E603 M604 R609 V610 M611K44-Q607 PolarHBondContact O-NE2 3.03Å; L106-Q607 HydrophobicContact CD1-CG 4.46Å; L106-Q607 HydrophobicContact CD2-CG 4.42Å; E603-Q607 PolarHBondContact O-N 2.9Å; M604-Q607 WeakPolarHBondContact O-CB 3.27Å; M604-Q607 PolarHBondContact O-N 2.77Å; Q607-R609 VanDerWaalsContact C-N 3.32Å; Q607-R609 PolarHBondContact O-N 3.39Å; Q607-V610 PolarHBondContact O-N 3.4Å; Q607-M611 WeakPolarHBondContact O-CG 3.49Å; Q607-M611 PolarHBondContact O-N 2.83Å
608D97.5Very high97.5Very high25 Ų2564.7 Ų64.713%0.13431%0.306CS..Hα-helixtrans-57-45.5176.8-59.5-32.9000111.1R46 M604 M611 E612R46-D608 WeakPolarHBondContact CB-OD1 3.43Å; R46-D608 IonicContact CZ-OD2 2.7Å; R46-D608 PolarHBondContact N-OD1 3.39Å; R46-D608 IonicContact NE-OD1 3.79Å; R46-D608 IonicContact NE-OD2 3.93Å; R46-D608 PolarHBondContact NE-OD2 3.19Å; R46-D608 IonicContact NH2-OD2 3.88Å; R46-D608 PolarHBondContact NH2-OD2 3.19Å; M604-D608 PolarHBondContact O-N 2.84Å; M604-D608 VanDerWaalsContact O-OD2 3.13Å; D608-M611 PolarHBondContact O-N 2.88Å; D608-E612 PolarHBondContact O-N 3.37Å; D608-E612 VanDerWaalsContact O-N 3.09Å
609R96.3Very high97.4Very high136 Ų13665.6 Ų65.651%0.51331%0.309SS..Hα-helixtrans-64-45177.4-172.8-172.9-58.1141.36112.3A605 L606 Q607 M611 E612 E613A605-R609 WeakPolarHBondContact O-CB 3.46Å; A605-R609 PolarHBondContact O-N 2.92Å; A605-R609 VanDerWaalsContact O-N 3.11Å; L606-R609 PolarHBondContact O-N 2.92Å; Q607-R609 VanDerWaalsContact C-N 3.32Å; Q607-R609 PolarHBondContact O-N 3.39Å; R609-M611 VanDerWaalsContact C-N 3.27Å; R609-M611 PolarHBondContact O-N 2.89Å; R609-E612 PolarHBondContact O-N 2.64Å; R609-E613 VanDerWaalsContact CD-OE1 3.28Å; R609-E613 WeakPolarHBondContact CD-OE1 3.21Å; R609-E613 HydrophobicContact CG-CG 4.12Å; R609-E613 VanDerWaalsContact CG-OE1 3.3Å; R609-E613 WeakPolarHBondContact CG-OE1 3.41Å; R609-E613 VanDerWaalsContact O-CB 3.24Å; R609-E613 WeakPolarHBondContact O-CB 3.4Å; R609-E613 VanDerWaalsContact O-CG 3.27Å; R609-E613 WeakPolarHBondContact O-CG 3.44Å; R609-E613 PolarHBondContact O-N 3.47Å
610V97.6Very high97.4Very high60 Ų6062.8 Ų62.836%0.36430%0.302SS..Hα-helixtrans-61.6-38.3-179.8166.80000111.1L606 Q607 T614L606-V610 HydrophobicContact CD1-CG2 4.33Å; L606-V610 WeakPolarHBondContact O-CG2 3.41Å; L606-V610 PolarHBondContact O-N 3.01Å; Q607-V610 PolarHBondContact O-N 3.4Å; V610-T614 WeakPolarHBondContact O-CB 3.31Å; V610-T614 PolarHBondContact O-N 3.18Å; V610-T614 PolarHBondContact O-OG1 3.16Å
611M96.8Very high97.4Very high40 Ų4060.6 Ų60.620%0.19729%0.292CS..Hα-helixtrans-71.3-44.8178.4-71.7-54.5-4600112.9K44 Q45 Q607 D608 R609 T614 K615K44-M611 HydrophobicContact CB-CE 4.06Å; K44-M611 HydrophobicContact CB-CG 4.38Å; K44-M611 HydrophobicContact CB-SD 4.3Å; K44-M611 HydrophobicContact CD-CE 3.94Å; K44-M611 WeakPolarHBondContact O-CG 3.33Å; Q45-M611 HydrophobicContact CB-CB 4.15Å; Q45-M611 HydrophobicContact CB-CG 4.25Å; Q607-M611 WeakPolarHBondContact O-CG 3.49Å; Q607-M611 PolarHBondContact O-N 2.83Å; D608-M611 PolarHBondContact O-N 2.88Å; R609-M611 VanDerWaalsContact C-N 3.27Å; R609-M611 PolarHBondContact O-N 2.89Å; M611-T614 WeakPolarHBondContact O-CB 3.37Å; M611-T614 PolarHBondContact O-N 3Å; M611-T614 VanDerWaalsContact O-N 3.12Å; M611-K615 PolarHBondContact O-N 3.08Å
612E95.2Very high97.4Very high72 Ų7262.9 Ų62.934%0.33630%0.303SS..Hα-helixtrans-67.4-39.8176.5-164.467.6-164.600111.3D608 R609 T614 K615 D616D608-E612 PolarHBondContact O-N 3.37Å; D608-E612 VanDerWaalsContact O-N 3.09Å; R609-E612 PolarHBondContact O-N 2.64Å; E612-T614 PolarHBondContact O-N 3.26Å; E612-K615 VanDerWaalsContact CD-NZ 3.28Å; E612-K615 WeakPolarHBondContact O-CB 3.44Å; E612-K615 PolarHBondContact O-N 3.1Å; E612-K615 IonicContact OE1-NZ 3.8Å; E612-K615 PolarHBondContact OE1-NZ 3.29Å; E612-K615 WeakPolarHBondContact OE2-CD 3.35Å; E612-K615 IonicContact OE2-NZ 3.26Å; E612-K615 PolarHBondContact OE2-NZ 3.36Å; E612-K615 VanDerWaalsContact OE2-NZ 3.16Å; E612-D616 PolarHBondContact O-N 3.48Å
613E97.3Very high97.4Very high68 Ų6859 Ų5932%0.31830%0.299SS..Hα-helixtrans-63.6-25.7170.9-74.8-179.9-17100113.2R609 K617 K668R609-E613 VanDerWaalsContact CD-OE1 3.28Å; R609-E613 WeakPolarHBondContact CD-OE1 3.21Å; R609-E613 HydrophobicContact CG-CG 4.12Å; R609-E613 VanDerWaalsContact CG-OE1 3.3Å; R609-E613 WeakPolarHBondContact CG-OE1 3.41Å; R609-E613 VanDerWaalsContact O-CB 3.24Å; R609-E613 WeakPolarHBondContact O-CB 3.4Å; R609-E613 VanDerWaalsContact O-CG 3.27Å; R609-E613 WeakPolarHBondContact O-CG 3.44Å; R609-E613 PolarHBondContact O-N 3.47Å; E613-K617 WeakPolarHBondContact O-CG 3.47Å; E613-K617 PolarHBondContact O-N 3.12Å; E613-K668 HydrophobicContact CB-CD 4.18Å; E613-K668 IonicContact OE2-NZ 3.48Å; E613-K668 PolarHBondContact OE2-NZ 2.9Å
614T97.9Very high97.4Very high14 Ų1453.8 Ų53.89%0.08627%0.274CS..Hα-helixtrans-73.9-49174.5-64.20000110.2V610 M611 E612 D616 K617 K618 E666 K668 Y671V610-T614 WeakPolarHBondContact O-CB 3.31Å; V610-T614 PolarHBondContact O-N 3.18Å; V610-T614 PolarHBondContact O-OG1 3.16Å; M611-T614 WeakPolarHBondContact O-CB 3.37Å; M611-T614 PolarHBondContact O-N 3Å; M611-T614 VanDerWaalsContact O-N 3.12Å; E612-T614 PolarHBondContact O-N 3.26Å; T614-D616 VanDerWaalsContact C-N 3.34Å; T614-D616 PolarHBondContact O-N 2.9Å; T614-K617 WeakPolarHBondContact O-CA 3.48Å; T614-K617 PolarHBondContact O-N 3.46Å; T614-K618 PolarHBondContact O-N 3.12Å; T614-E666 VanDerWaalsContact CG2-O 3.25Å; T614-E666 WeakPolarHBondContact CG2-O 3.43Å; T614-K668 HydrophobicContact CG2-CB 4.5Å; T614-K668 WeakPolarHBondContact OG1-CB 3.28Å; T614-Y671 HydrophobicContact CG2-CD2 3.98Å; T614-Y671 HydrophobicContact CG2-CE2 3.79Å
615K96.6Very high97.4Very high100 Ų10053.3 Ų53.344%0.43527%0.271SS..Hα-helixtrans-56.1-44.4174.1172.2-171.7165.5-151.90112M611 E612 K617 K618 N619M611-K615 PolarHBondContact O-N 3.08Å; E612-K615 VanDerWaalsContact CD-NZ 3.28Å; E612-K615 WeakPolarHBondContact O-CB 3.44Å; E612-K615 PolarHBondContact O-N 3.1Å; E612-K615 IonicContact OE1-NZ 3.8Å; E612-K615 PolarHBondContact OE1-NZ 3.29Å; E612-K615 WeakPolarHBondContact OE2-CD 3.35Å; E612-K615 IonicContact OE2-NZ 3.26Å; E612-K615 PolarHBondContact OE2-NZ 3.36Å; E612-K615 VanDerWaalsContact OE2-NZ 3.16Å; K615-K617 PolarHBondContact O-N 2.86Å; K615-K618 WeakPolarHBondContact O-CB 3.41Å; K615-K618 PolarHBondContact O-N 2.79Å; K615-K618 VanDerWaalsContact O-N 3.14Å; K615-N619 WeakPolarHBondContact O-CB 3.48Å; K615-N619 PolarHBondContact O-N 2.91Å; K615-N619 PolarHBondContact O-OD1 3.28Å
616D97Very high97.4Very high84 Ų8455.5 Ų55.545%0.44927%0.273SS..Hα-helixtrans-57.3-33.5173.2-87.7-7.4000113.2E612 T614 A620E612-D616 PolarHBondContact O-N 3.48Å; T614-D616 VanDerWaalsContact C-N 3.34Å; T614-D616 PolarHBondContact O-N 2.9Å; D616-A620 VanDerWaalsContact O-CB 3.24Å; D616-A620 WeakPolarHBondContact O-CB 3.35Å; D616-A620 PolarHBondContact O-N 3.45Å; D616-A620 VanDerWaalsContact O-N 3.09Å
617K97.8Very high97.5Very high76 Ų7655.5 Ų55.533%0.3327%0.274SS..Hα-helixtrans-81.1-32.7175.7-59.6-49169.8-1420112.8E613 T614 K615 A620 V621 K668 V672E613-K617 WeakPolarHBondContact O-CG 3.47Å; E613-K617 PolarHBondContact O-N 3.12Å; T614-K617 WeakPolarHBondContact O-CA 3.48Å; T614-K617 PolarHBondContact O-N 3.46Å; K615-K617 PolarHBondContact O-N 2.86Å; K617-A620 PolarHBondContact O-N 2.94Å; K617-V621 WeakPolarHBondContact O-CG2 3.27Å; K617-V621 PolarHBondContact O-N 3.07Å; K617-V621 VanDerWaalsContact O-N 3.09Å; K617-K668 HydrophobicContact CG-CG 4.03Å; K617-V672 HydrophobicContact CB-CG2 4.4Å; K617-V672 HydrophobicContact CD-CG2 4.22Å; K617-V672 HydrophobicContact CG-CG2 3.91Å
618K98Very high97.5Very high37 Ų3752.5 Ų52.516%0.16126%0.26CS..Hα-helixtrans-57.9-55.1167.9-168.2-179.5-175.8178.80110.5T614 K615 A620 V621 E622 L659 E664 Y671T614-K618 PolarHBondContact O-N 3.12Å; K615-K618 WeakPolarHBondContact O-CB 3.41Å; K615-K618 PolarHBondContact O-N 2.79Å; K615-K618 VanDerWaalsContact O-N 3.14Å; K618-A620 PolarHBondContact O-N 3.34Å; K618-V621 PolarHBondContact O-N 3.09Å; K618-E622 PolarHBondContact O-N 2.94Å; K618-L659 HydrophobicContact CD-CD2 4.44Å; K618-L659 HydrophobicContact CG-CD2 3.7Å; K618-L659 PolarHBondContact NZ-O 3.5Å; K618-E664 PolarHBondContact NZ-O 3.07Å; K618-Y671 HydrophobicContact CB-CD1 4.27Å; K618-Y671 HydrophobicContact CB-CD2 4.02Å; K618-Y671 HydrophobicContact CB-CE1 4.06Å; K618-Y671 HydrophobicContact CB-CE2 3.77Å; K618-Y671 HydrophobicContact CB-CG 4.27Å; K618-Y671 HydrophobicContact CD-CE1 4.35Å; K618-Y671 HydrophobicContact CG-CD1 4.32Å; K618-Y671 HydrophobicContact CG-CE1 3.78Å; K618-Y671 HydrophobicContact CG-CE2 4.23Å
619N97.4Very high97.5Very high63 Ų6353 Ų5334%0.33726%0.26SS..Hα-helixtrans-57.3-34.4178.4-63.60.5000112.2K615 S623K615-N619 WeakPolarHBondContact O-CB 3.48Å; K615-N619 PolarHBondContact O-N 2.91Å; K615-N619 PolarHBondContact O-OD1 3.28Å; N619-S623 VanDerWaalsContact O-CB 3.23Å; N619-S623 WeakPolarHBondContact O-CB 3.14Å; N619-S623 PolarHBondContact O-N 3.48Å; N619-S623 PolarHBondContact O-OG 2.93Å
620A98.2Very high97.5Very high32 Ų3251.9 Ų51.926%0.26426%0.264SS..Hα-helixtrans-75-26177.200000114.2D616 K617 K618 Y624 L675D616-A620 VanDerWaalsContact O-CB 3.24Å; D616-A620 WeakPolarHBondContact O-CB 3.35Å; D616-A620 PolarHBondContact O-N 3.45Å; D616-A620 VanDerWaalsContact O-N 3.09Å; K617-A620 PolarHBondContact O-N 2.94Å; K618-A620 PolarHBondContact O-N 3.34Å; A620-Y624 VanDerWaalsContact O-CB 3.3Å; A620-Y624 WeakPolarHBondContact O-CB 3.33Å; A620-Y624 PolarHBondContact O-N 3.32Å; A620-L675 HydrophobicContact CB-CD2 4.13Å
621V98.4Very high97.5Very high0 Ų050.4 Ų50.40%025%0.253CS..Hα-helixtrans-71-53.5167.7-179.40000109.1K617 K618 S623 Y624 V625 V655 L659 Y671 K674 L675 L678K617-V621 WeakPolarHBondContact O-CG2 3.27Å; K617-V621 PolarHBondContact O-N 3.07Å; K617-V621 VanDerWaalsContact O-N 3.09Å; K618-V621 PolarHBondContact O-N 3.09Å; V621-S623 PolarHBondContact O-N 3.25Å; V621-Y624 PolarHBondContact O-N 3.5Å; V621-Y624 VanDerWaalsContact O-N 3.11Å; V621-V625 HydrophobicContact CG1-CG2 4.32Å; V621-V625 WeakPolarHBondContact O-CG2 3.46Å; V621-V625 PolarHBondContact O-N 3.48Å; V621-V655 HydrophobicContact CG1-CG1 3.57Å; V621-L659 HydrophobicContact CB-CD1 4.26Å; V621-L659 HydrophobicContact CG1-CD1 3.86Å; V621-L659 HydrophobicContact CG1-CG 4.42Å; V621-Y671 HydrophobicContact CG2-CD1 4.48Å; V621-Y671 VanDerWaalsContact CG2-O 3.23Å; V621-Y671 WeakPolarHBondContact CG2-O 3.3Å; V621-K674 HydrophobicContact CG2-CB 4.47Å; V621-L675 HydrophobicContact CG2-CB 3.98Å; V621-L678 HydrophobicContact CG1-CD1 4.44Å
622E97.7Very high97.6Very high53 Ų5348.5 Ų48.525%0.24824%0.243CC..Hα-helixtrans-54-51.2-179.5-174.5176-159.800112K618 Y624 V625 Y626 L659 Y660K618-E622 PolarHBondContact O-N 2.94Å; E622-Y624 VanDerWaalsContact C-N 3.33Å; E622-Y624 PolarHBondContact O-N 3.34Å; E622-V625 PolarHBondContact O-N 2.86Å; E622-Y626 HydrophobicContact CG-CD2 4.08Å; E622-Y626 HydrophobicContact CG-CE2 3.64Å; E622-Y626 VanDerWaalsContact O-CD2 3.28Å; E622-Y626 WeakPolarHBondContact O-CD2 3.38Å; E622-Y626 PolarHBondContact O-N 3.48Å; E622-Y626 VanDerWaalsContact O-N 3.15Å; E622-L659 HydrophobicContact CB-CD1 3.96Å; E622-Y660 PolarHBondContact OE1-OH 2.96Å
623S98Very high97.6Very high75 Ų7552.1 Ų52.152%0.52426%0.255SS..Hα-helixtrans-60.5-40.1177.5-58.50000112.6N619 V621 D627N619-S623 VanDerWaalsContact O-CB 3.23Å; N619-S623 WeakPolarHBondContact O-CB 3.14Å; N619-S623 PolarHBondContact O-N 3.48Å; N619-S623 PolarHBondContact O-OG 2.93Å; V621-S623 PolarHBondContact O-N 3.25Å; S623-D627 WeakPolarHBondContact O-CB 3.17Å; S623-D627 PolarHBondContact O-N 3.38Å
624Y98.5Very high97.5Very high20 Ų2054.3 Ų54.38%0.07827%0.269CS..Hα-helixtrans-69.5-36178-177.9-86.9000111.8A620 V621 E622 M628 L675 L678 K679A620-Y624 VanDerWaalsContact O-CB 3.3Å; A620-Y624 WeakPolarHBondContact O-CB 3.33Å; A620-Y624 PolarHBondContact O-N 3.32Å; V621-Y624 PolarHBondContact O-N 3.5Å; V621-Y624 VanDerWaalsContact O-N 3.11Å; E622-Y624 VanDerWaalsContact C-N 3.33Å; E622-Y624 PolarHBondContact O-N 3.34Å; Y624-M628 HydrophobicContact CD1-CB 4.41Å; Y624-M628 HydrophobicContact CE1-CB 4.16Å; Y624-M628 HydrophobicContact CE1-CG 4.35Å; Y624-M628 HydrophobicContact CE2-CE 4.09Å; Y624-M628 WeakPolarHBondContact O-CB 3.31Å; Y624-M628 PolarHBondContact O-N 2.95Å; Y624-L675 HydrophobicContact CD1-CD1 4.11Å; Y624-L675 HydrophobicContact CD2-CD1 4.18Å; Y624-L675 HydrophobicContact CG-CD1 3.72Å; Y624-L678 HydrophobicContact CD1-CB 4.07Å; Y624-L678 HydrophobicContact CD1-CD1 4.14Å; Y624-L678 HydrophobicContact CE1-CB 3.66Å; Y624-L678 HydrophobicContact CE1-CD1 4.49Å; Y624-K679 HydrophobicContact CD2-CG 4.38Å; Y624-K679 HydrophobicContact CE1-CG 4.35Å; Y624-K679 HydrophobicContact CE2-CD 4.33Å; Y624-K679 HydrophobicContact CE2-CG 3.65Å
625V98.2Very high97.4Very high1 Ų157.9 Ų57.91%0.00628%0.283CS..Hα-helixtrans-61.2-51176.7166.10000110.8V621 E622 R629 L652 V655 E656 L678V621-V625 HydrophobicContact CG1-CG2 4.32Å; V621-V625 WeakPolarHBondContact O-CG2 3.46Å; V621-V625 PolarHBondContact O-N 3.48Å; E622-V625 PolarHBondContact O-N 2.86Å; V625-R629 VanDerWaalsContact O-CB 3.28Å; V625-R629 WeakPolarHBondContact O-CB 3.2Å; V625-R629 PolarHBondContact O-N 3.17Å; V625-L652 HydrophobicContact CG1-CB 4.39Å; V625-L652 VanDerWaalsContact CG1-O 3.3Å; V625-L652 WeakPolarHBondContact CG1-O 3.28Å; V625-L652 HydrophobicContact CG2-CD2 4.21Å; V625-V655 HydrophobicContact CG2-CB 4.43Å; V625-V655 HydrophobicContact CG2-CG1 4.21Å; V625-E656 HydrophobicContact CG1-CB 4.12Å; V625-L678 HydrophobicContact CG2-CD1 3.66Å
626Y97.1Very high97.4Very high77 Ų7753.8 Ų53.830%0.30227%0.265SS..Hα-helixtrans-67.4-46.8179.8-67.6-53.2000113.3E622 R629 N630 E656 Y660E622-Y626 HydrophobicContact CG-CD2 4.08Å; E622-Y626 HydrophobicContact CG-CE2 3.64Å; E622-Y626 VanDerWaalsContact O-CD2 3.28Å; E622-Y626 WeakPolarHBondContact O-CD2 3.38Å; E622-Y626 PolarHBondContact O-N 3.48Å; E622-Y626 VanDerWaalsContact O-N 3.15Å; Y626-R629 PolarHBondContact O-N 3.22Å; Y626-N630 PolarHBondContact O-N 2.94Å; Y626-N630 VanDerWaalsContact O-N 3.1Å; Y626-N630 PolarHBondContact O-ND2 3.48Å; Y626-E656 WeakPolarHBondContact CE1-OE1 3.28Å; Y626-E656 VanDerWaalsContact CZ-OE1 3.25Å; Y626-E656 PolarHBondContact OH-OE1 3.39Å; Y626-Y660 PolarHBondContact OH-OH 2.97Å
627D97.8Very high97.4Very high69 Ų6953.2 Ų53.237%0.36926%0.262SS..Hα-helixtrans-60.6-49.4178172.852.2000111.4S623 R629 N630 K631S623-D627 WeakPolarHBondContact O-CB 3.17Å; S623-D627 PolarHBondContact O-N 3.38Å; D627-R629 PolarHBondContact O-N 2.86Å; D627-N630 PolarHBondContact O-N 3.17Å; D627-K631 VanDerWaalsContact CG-CE 3.47Å; D627-K631 WeakPolarHBondContact O-CB 3.46Å; D627-K631 WeakPolarHBondContact O-CD 3.37Å; D627-K631 WeakPolarHBondContact O-CG 3.35Å; D627-K631 PolarHBondContact O-N 3.14Å; D627-K631 WeakPolarHBondContact OD1-CD 3.35Å; D627-K631 WeakPolarHBondContact OD1-CE 3.45Å; D627-K631 IonicContact OD1-NZ 3.21Å; D627-K631 WeakPolarHBondContact OD2-CD 3.45Å; D627-K631 WeakPolarHBondContact OD2-CE 3.3Å; D627-K631 IonicContact OD2-NZ 3.41Å; D627-K631 PolarHBondContact OD2-NZ 2.66Å
628M98Very high97.3Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-63.7-42.2179.7-1755557.200112.3Y624 N630 K631 L632 Y636 F648 L652 E686Y624-M628 HydrophobicContact CD1-CB 4.41Å; Y624-M628 HydrophobicContact CE1-CB 4.16Å; Y624-M628 HydrophobicContact CE1-CG 4.35Å; Y624-M628 HydrophobicContact CE2-CE 4.09Å; Y624-M628 WeakPolarHBondContact O-CB 3.31Å; Y624-M628 PolarHBondContact O-N 2.95Å; M628-N630 PolarHBondContact O-N 3.03Å; M628-K631 HydrophobicContact CE-CD 4.5Å; M628-K631 PolarHBondContact O-N 3.37Å; M628-L632 HydrophobicContact CG-CD1 3.93Å; M628-L632 HydrophobicContact CG-CG 4.33Å; M628-L632 VanDerWaalsContact O-CG 3.25Å; M628-L632 WeakPolarHBondContact O-CG 3.42Å; M628-L632 PolarHBondContact O-N 2.83Å; M628-L632 HydrophobicContact SD-CD1 4.24Å; M628-L632 HydrophobicContact SD-CD2 4.45Å; M628-L632 HydrophobicContact SD-CG 4.05Å; M628-Y636 HydrophobicContact CE-CE2 3.96Å; M628-Y636 HydrophobicContact SD-CD2 3.95Å; M628-Y636 HydrophobicContact SD-CE2 3.97Å; M628-F648 HydrophobicContact CG-CE1 3.55Å; M628-F648 HydrophobicContact CG-CZ 3.81Å; M628-F648 HydrophobicContact SD-CE1 3.91Å; M628-L652 HydrophobicContact CB-CD1 4.2Å; M628-L652 HydrophobicContact CB-CD2 4.32Å; M628-L652 HydrophobicContact CG-CD1 3.82Å; M628-L652 HydrophobicContact CG-CD2 4.35Å; M628-E686 HydrophobicContact CE-CG 3.78Å; M628-E686 WeakPolarHBondContact CE-OE1 3.49Å
629R97.6Very high97.3Very high37 Ų3751.5 Ų51.514%0.1426%0.258CS..Hα-helixtrans-58.2-47.9176.7-175.3-176.9-65.5153.61.3111.2V625 Y626 D627 L632 Y633 L652 Q653 E656V625-R629 VanDerWaalsContact O-CB 3.28Å; V625-R629 WeakPolarHBondContact O-CB 3.2Å; V625-R629 PolarHBondContact O-N 3.17Å; Y626-R629 PolarHBondContact O-N 3.22Å; D627-R629 PolarHBondContact O-N 2.86Å; R629-L632 PolarHBondContact O-N 3.45Å; R629-Y633 HydrophobicContact CG-CD2 4.26Å; R629-Y633 HydrophobicContact CG-CE2 4.01Å; R629-Y633 VanDerWaalsContact O-CD2 3.27Å; R629-Y633 WeakPolarHBondContact O-CD2 3.36Å; R629-Y633 PolarHBondContact O-N 2.67Å; R629-L652 HydrophobicContact CB-CD1 4.49Å; R629-L652 PolarHBondContact NH2-O 2.65Å; R629-Q653 VanDerWaalsContact NH2-OE1 3.09Å; R629-E656 IonicContact CZ-OE2 3.34Å; R629-E656 IonicContact NH1-OE1 3.1Å; R629-E656 IonicContact NH1-OE2 3.81Å; R629-E656 PolarHBondContact NH1-OE2 2.91Å; R629-E656 IonicContact NH2-OE2 2.69Å; R629-E656 PolarHBondContact NH2-OE2 3.12Å
630N97.2Very high97.3Very high111 Ų11148.8 Ų48.859%0.59424%0.243SC*.Hα-helixtrans-62.1-46.7178-70.5-24.2000111.6Y626 D627 M628 L632 Y633 D634Y626-N630 PolarHBondContact O-N 2.94Å; Y626-N630 VanDerWaalsContact O-N 3.1Å; Y626-N630 PolarHBondContact O-ND2 3.48Å; D627-N630 PolarHBondContact O-N 3.17Å; M628-N630 PolarHBondContact O-N 3.03Å; N630-L632 VanDerWaalsContact C-N 3.31Å; N630-L632 PolarHBondContact O-N 3.34Å; N630-Y633 PolarHBondContact O-N 2.96Å; N630-D634 PolarHBondContact O-N 3.18Å; N630-D634 VanDerWaalsContact O-N 3.09Å
631K97.9Very high97.2Very high30 Ų3049.3 Ų49.313%0.1324%0.244CC..Hα-helixtrans-57.9-38.9176.7-72.1162153.8179.40113D627 M628 D634 K635 Y636 E686D627-K631 VanDerWaalsContact CG-CE 3.47Å; D627-K631 WeakPolarHBondContact O-CB 3.46Å; D627-K631 WeakPolarHBondContact O-CD 3.37Å; D627-K631 WeakPolarHBondContact O-CG 3.35Å; D627-K631 PolarHBondContact O-N 3.14Å; D627-K631 WeakPolarHBondContact OD1-CD 3.35Å; D627-K631 WeakPolarHBondContact OD1-CE 3.45Å; D627-K631 IonicContact OD1-NZ 3.21Å; D627-K631 WeakPolarHBondContact OD2-CD 3.45Å; D627-K631 WeakPolarHBondContact OD2-CE 3.3Å; D627-K631 IonicContact OD2-NZ 3.41Å; D627-K631 PolarHBondContact OD2-NZ 2.66Å; M628-K631 HydrophobicContact CE-CD 4.5Å; M628-K631 PolarHBondContact O-N 3.37Å; K631-D634 CarbonylContact O-C 3.49Å; K631-D634 VanDerWaalsContact O-C 3.26Å; K631-D634 PolarHBondContact O-N 2.62Å; K631-K635 PolarHBondContact O-N 3.17Å; K631-Y636 HydrophobicContact CB-CD2 3.56Å; K631-Y636 HydrophobicContact CB-CE2 3.64Å; K631-Y636 HydrophobicContact CB-CG 4.06Å; K631-Y636 HydrophobicContact CD-CD2 4.39Å; K631-Y636 HydrophobicContact CD-CE2 3.6Å; K631-Y636 WeakPolarHBondContact CE-OH 3.29Å; K631-Y636 HydrophobicContact CG-CD2 4.43Å; K631-Y636 HydrophobicContact CG-CE2 4.03Å; K631-Y636 WeakPolarHBondContact O-CB 3.4Å; K631-Y636 PolarHBondContact O-N 3.23Å; K631-E686 IonicContact NZ-OE1 3.86Å; K631-E686 PolarHBondContact NZ-OE1 3.18Å
632L97.4Very high97Very high0 Ų052.7 Ų52.70%027%0.272CS..Hα-helixtrans-68.2-31.5178.6-71.7164.9000113.2M628 R629 N630 V640 K645 F648 I649 L652 I685M628-L632 HydrophobicContact CG-CD1 3.93Å; M628-L632 HydrophobicContact CG-CG 4.33Å; M628-L632 VanDerWaalsContact O-CG 3.25Å; M628-L632 WeakPolarHBondContact O-CG 3.42Å; M628-L632 PolarHBondContact O-N 2.83Å; M628-L632 HydrophobicContact SD-CD1 4.24Å; M628-L632 HydrophobicContact SD-CD2 4.45Å; M628-L632 HydrophobicContact SD-CG 4.05Å; R629-L632 PolarHBondContact O-N 3.45Å; N630-L632 VanDerWaalsContact C-N 3.31Å; N630-L632 PolarHBondContact O-N 3.34Å; L632-V640 HydrophobicContact CD2-CG1 4.25Å; L632-K645 WeakPolarHBondContact O-CE 3.13Å; L632-K645 PolarHBondContact O-NZ 2.72Å; L632-F648 HydrophobicContact CD1-CD1 3.59Å; L632-F648 HydrophobicContact CD1-CE1 3.98Å; L632-F648 HydrophobicContact CD1-CG 4.36Å; L632-F648 HydrophobicContact CD2-CD1 4.3Å; L632-I649 HydrophobicContact CB-CD1 4.3Å; L632-I649 HydrophobicContact CB-CG1 4.41Å; L632-I649 HydrophobicContact CD1-CG1 3.96Å; L632-L652 HydrophobicContact CD1-CD1 3.61Å; L632-I685 HydrophobicContact CD2-CD1 3.98Å; L632-I685 HydrophobicContact CD2-CG2 4.47Å
633Y95.7Very high97Very high147 Ų14757.9 Ų57.958%0.57630%0.296SS*.Hα-helixtrans-76.1-33.6172.9-77.9-68.1000113R629 N630 I649R629-Y633 HydrophobicContact CG-CD2 4.26Å; R629-Y633 HydrophobicContact CG-CE2 4.01Å; R629-Y633 VanDerWaalsContact O-CD2 3.27Å; R629-Y633 WeakPolarHBondContact O-CD2 3.36Å; R629-Y633 PolarHBondContact O-N 2.67Å; N630-Y633 PolarHBondContact O-N 2.96Å; Y633-I649 HydrophobicContact CD2-CD1 4.48Å; Y633-I649 HydrophobicContact CE1-CD1 4.2Å; Y633-I649 HydrophobicContact CE2-CD1 3.92Å
634D95.7Very high96.9Very high114 Ų11458.4 Ų58.461%0.6129%0.293SS*.THydrogen-bonded Turntrans-98.9-120.1177.2175.558.2000111.4N630 K631 Y636 N637N630-D634 PolarHBondContact O-N 3.18Å; N630-D634 VanDerWaalsContact O-N 3.09Å; K631-D634 CarbonylContact O-C 3.49Å; K631-D634 VanDerWaalsContact O-C 3.26Å; K631-D634 PolarHBondContact O-N 2.62Å; D634-Y636 PolarHBondContact O-N 3.2Å; D634-N637 WeakPolarHBondContact O-CB 3.43Å; D634-N637 PolarHBondContact O-N 3.16Å
635K95.7Very high96.8Very high90 Ų9058.6 Ų58.639%0.39129%0.294SS..THydrogen-bonded Turntrans-59.2-20.2-162.561.3-179.6172.1-171.40116.8K631 F639 Y689K631-K635 PolarHBondContact O-N 3.17Å; K635-F639 WeakPolarHBondContact O-CD2 3.13Å; K635-F639 WeakPolarHBondContact O-CE2 3.5Å; K635-Y689 HydrophobicContact CB-CD2 4.45Å; K635-Y689 HydrophobicContact CB-CE2 3.73Å; K635-Y689 HydrophobicContact CD-CE1 4.37Å; K635-Y689 HydrophobicContact CD-CE2 4.25Å; K635-Y689 HydrophobicContact CG-CE2 4.18Å; K635-Y689 VanDerWaalsContact O-CD2 3.28Å; K635-Y689 WeakPolarHBondContact O-CD2 3.23Å; K635-Y689 WeakPolarHBondContact O-CE2 3.46Å
636Y97.3Very high96.7Very high14 Ų1465.4 Ų65.46%0.05533%0.326CS..THydrogen-bonded Turntrans-91.7-6.8177.1-63.5-8.3000113.8M628 K631 D634 D638 F639 I685 E686 Y689M628-Y636 HydrophobicContact CE-CE2 3.96Å; M628-Y636 HydrophobicContact SD-CD2 3.95Å; M628-Y636 HydrophobicContact SD-CE2 3.97Å; K631-Y636 HydrophobicContact CB-CD2 3.56Å; K631-Y636 HydrophobicContact CB-CE2 3.64Å; K631-Y636 HydrophobicContact CB-CG 4.06Å; K631-Y636 HydrophobicContact CD-CD2 4.39Å; K631-Y636 HydrophobicContact CD-CE2 3.6Å; K631-Y636 WeakPolarHBondContact CE-OH 3.29Å; K631-Y636 HydrophobicContact CG-CD2 4.43Å; K631-Y636 HydrophobicContact CG-CE2 4.03Å; K631-Y636 WeakPolarHBondContact O-CB 3.4Å; K631-Y636 PolarHBondContact O-N 3.23Å; D634-Y636 PolarHBondContact O-N 3.2Å; Y636-D638 PolarHBondContact O-N 3.13Å; Y636-F639 PolarHBondContact O-N 3.08Å; Y636-I685 HydrophobicContact CD2-CG2 4.12Å; Y636-I685 HydrophobicContact CG-CG2 4.11Å; Y636-E686 HydrophobicContact CE2-CB 4.4Å; Y636-E686 HydrophobicContact CE2-CG 3.59Å; Y636-E686 WeakPolarHBondContact CE2-OE1 3.4Å; Y636-E686 PolarHBondContact OH-OE1 2.7Å; Y636-Y689 HydrophobicContact CD1-CD1 4.2Å; Y636-Y689 AromaticContact CD1-CD2 3.7Å; Y636-Y689 HydrophobicContact CD1-CD2 3.7Å; Y636-Y689 HydrophobicContact CD1-CE2 4.41Å; Y636-Y689 AromaticContact CD1-CG 3.59Å; Y636-Y689 HydrophobicContact CD1-CG 3.59Å; Y636-Y689 AromaticContact CE1-CD1 3.62Å; Y636-Y689 HydrophobicContact CE1-CD1 3.62Å; Y636-Y689 AromaticContact CE1-CD2 3.97Å; Y636-Y689 HydrophobicContact CE1-CD2 3.97Å; Y636-Y689 HydrophobicContact CE1-CE1 4.23Å; Y636-Y689 AromaticContact CE1-CG 3.48Å; Y636-Y689 HydrophobicContact CE1-CG 3.48Å; Y636-Y689 VanDerWaalsContact CE1-CG 3.48Å
637N95.9Very high96.8Very high72 Ų7264.7 Ų64.739%0.38534%0.336SS..G310 helixtrans-46.4-42.9-176175.782.1000114D634 K645D634-N637 WeakPolarHBondContact O-CB 3.43Å; D634-N637 PolarHBondContact O-N 3.16Å; N637-K645 PolarHBondContact OD1-NZ 3.48Å
638D95.9Very high96.8Very high72 Ų7261.6 Ų61.639%0.38532%0.319SS..G310 helixtrans-82-13.8-176.2-62.65.4000114.1Y636 K754 H755Y636-D638 PolarHBondContact O-N 3.13Å; D638-K754 HydrophobicContact CB-CB 4.15Å; D638-K754 HydrophobicContact CB-CD 3.44Å; D638-K754 VanDerWaalsContact CB-CD 3.44Å; D638-K754 HydrophobicContact CB-CG 4.48Å; D638-K754 CarbonylContact O-C 3.54Å; D638-K754 WeakPolarHBondContact O-CB 3.01Å; D638-K754 IonicContact OD2-NZ 2.69Å; D638-K754 PolarHBondContact OD2-NZ 3.49Å; D638-H755 PolarHBondContact O-N 3.06Å
639F97.3Very high96.8Very high4 Ų462.7 Ų62.72%0.01833%0.325CS..G310 helixtrans-98.35.5-169.4-60.7-84000113.3K635 Y636 I685 R688 Y689 W692 K754 H755K635-F639 WeakPolarHBondContact O-CD2 3.13Å; K635-F639 WeakPolarHBondContact O-CE2 3.5Å; Y636-F639 PolarHBondContact O-N 3.08Å; F639-I685 HydrophobicContact CB-CG2 4.12Å; F639-R688 HydrophobicContact CB-CB 4.23Å; F639-R688 HydrophobicContact CD1-CB 4.07Å; F639-R688 WeakPolarHBondContact O-CD 3.3Å; F639-R688 PolarHBondContact O-NH1 2.78Å; F639-Y689 AromaticContact CD2-CD2 3.85Å; F639-Y689 HydrophobicContact CD2-CD2 3.85Å; F639-Y689 AromaticContact CE2-CD2 3.59Å; F639-Y689 HydrophobicContact CE2-CD2 3.59Å; F639-Y689 HydrophobicContact CE2-CE2 4.3Å; F639-Y689 HydrophobicContact CZ-CD2 4.14Å; F639-W692 HydrophobicContact CE1-CB 3.5Å; F639-W692 HydrophobicContact CE1-CD2 4.04Å; F639-W692 HydrophobicContact CE1-CE3 4.42Å; F639-W692 AromaticContact CE1-CG 3.63Å; F639-W692 HydrophobicContact CE1-CG 3.63Å; F639-W692 HydrophobicContact CZ-CB 4Å; F639-W692 AromaticContact CZ-CD2 3.65Å; F639-W692 HydrophobicContact CZ-CD2 3.65Å; F639-W692 AromaticContact CZ-CE3 3.7Å; F639-W692 HydrophobicContact CZ-CE3 3.7Å; F639-W692 AromaticContact CZ-CG 3.78Å; F639-W692 HydrophobicContact CZ-CG 3.78Å; F639-W692 HydrophobicContact CZ-CZ3 4.43Å; F639-K754 HydrophobicContact CD1-CB 3.9Å; F639-K754 HydrophobicContact CD1-CG 4.48Å; F639-K754 WeakPolarHBondContact CD1-O 3.18Å; F639-K754 HydrophobicContact CE1-CB 3.86Å; F639-K754 HydrophobicContact CE1-CD 4.03Å; F639-K754 HydrophobicContact CE1-CG 3.92Å; F639-K754 HydrophobicContact CE2-CD 4.33Å; F639-K754 HydrophobicContact CZ-CB 4.45Å; F639-K754 HydrophobicContact CZ-CD 3.83Å; F639-K754 HydrophobicContact CZ-CG 4.25Å; F639-H755 VanDerWaalsContact C-CB 3.47Å; F639-H755 WeakPolarHBondContact O-CA 3.47Å
640V97.2Very high96.8Very high6 Ų663.9 Ų63.94%0.03634%0.342CS..SBendtrans-133.9156.9177.862.20000108.2L632 D644 K645 I685L632-V640 HydrophobicContact CD2-CG1 4.25Å; V640-D644 HydrophobicContact CG2-CB 3.48Å; V640-D644 VanDerWaalsContact CG2-CB 3.48Å; V640-K645 HydrophobicContact CG1-CB 3.77Å; V640-K645 HydrophobicContact CG1-CD 4.16Å; V640-K645 HydrophobicContact CG1-CG 4.3Å; V640-K645 HydrophobicContact CG2-CB 4.02Å; V640-I685 HydrophobicContact CB-CD1 3.96Å; V640-I685 HydrophobicContact CB-CG1 4.24Å; V640-I685 HydrophobicContact CB-CG2 4.22Å; V640-I685 HydrophobicContact CG2-CD1 3.7Å; V640-I685 HydrophobicContact CG2-CG1 4.31Å
641T96.7Very high96.8Very high44 Ų4461 Ų6127%0.2733%0.325SS..  trans-79163.3170.372.90000109.9E643 D644 K645T641-E643 VanDerWaalsContact C-N 3.3Å; T641-E643 PolarHBondContact O-N 3.3Å; T641-D644 WeakPolarHBondContact CB-OD2 3.48Å; T641-D644 VanDerWaalsContact CG2-OD2 3.31Å; T641-D644 WeakPolarHBondContact CG2-OD2 3.39Å; T641-D644 WeakPolarHBondContact OG1-CB 3.27Å; T641-D644 PolarHBondContact OG1-N 2.89Å; T641-D644 PolarHBondContact OG1-OD2 3.43Å; T641-K645 WeakPolarHBondContact O-CB 3.4Å; T641-K645 PolarHBondContact O-N 2.8Å
642A95.2Very high96.8Very high71 Ų7159.6 Ų59.659%0.58732%0.318SS*.Hα-helixtrans-60.6-41.5175.400000111.8K645 E646A642-K645 PolarHBondContact O-N 2.94Å; A642-E646 WeakPolarHBondContact O-CG 3.46Å; A642-E646 PolarHBondContact O-N 2.86Å
643E95.9Very high96.8Very high161 Ų16163 Ų6375%0.75233%0.334SS*.Hα-helixtrans-65.3-50178.1-173.9174.9-179.500111.8T641 K645 E646 A647T641-E643 VanDerWaalsContact C-N 3.3Å; T641-E643 PolarHBondContact O-N 3.3Å; E643-K645 VanDerWaalsContact C-N 3.26Å; E643-K645 PolarHBondContact O-N 3.38Å; E643-E646 PolarHBondContact O-N 3.29Å; E643-A647 VanDerWaalsContact O-CB 3.29Å; E643-A647 WeakPolarHBondContact O-CB 3.29Å; E643-A647 PolarHBondContact O-N 3.09Å
644D96.3Very high96.9Very high86 Ų8660.8 Ų60.846%0.4633%0.329SS..Hα-helixtrans-60.9-35.6175.4-67.3-55000111.8V640 T641 F648V640-D644 HydrophobicContact CG2-CB 3.48Å; V640-D644 VanDerWaalsContact CG2-CB 3.48Å; T641-D644 WeakPolarHBondContact CB-OD2 3.48Å; T641-D644 VanDerWaalsContact CG2-OD2 3.31Å; T641-D644 WeakPolarHBondContact CG2-OD2 3.39Å; T641-D644 WeakPolarHBondContact OG1-CB 3.27Å; T641-D644 PolarHBondContact OG1-N 2.89Å; T641-D644 PolarHBondContact OG1-OD2 3.43Å; D644-F648 WeakPolarHBondContact O-CB 3.48Å; D644-F648 PolarHBondContact O-N 3.43Å
645K97.1Very high97Very high25 Ų2555.4 Ų55.411%0.10930%0.3CS..Hα-helixtrans-68.5-49.6179.4174169.7161.9167.40111.3L632 N637 V640 T641 A642 E643 F648 I649L632-K645 WeakPolarHBondContact O-CE 3.13Å; L632-K645 PolarHBondContact O-NZ 2.72Å; N637-K645 PolarHBondContact OD1-NZ 3.48Å; V640-K645 HydrophobicContact CG1-CB 3.77Å; V640-K645 HydrophobicContact CG1-CD 4.16Å; V640-K645 HydrophobicContact CG1-CG 4.3Å; V640-K645 HydrophobicContact CG2-CB 4.02Å; T641-K645 WeakPolarHBondContact O-CB 3.4Å; T641-K645 PolarHBondContact O-N 2.8Å; A642-K645 PolarHBondContact O-N 2.94Å; E643-K645 VanDerWaalsContact C-N 3.26Å; E643-K645 PolarHBondContact O-N 3.38Å; K645-F648 PolarHBondContact O-N 3.33Å; K645-I649 HydrophobicContact CD-CD1 4.43Å; K645-I649 HydrophobicContact CG-CD1 3.66Å; K645-I649 HydrophobicContact CG-CG1 4.47Å; K645-I649 WeakPolarHBondContact O-CB 3.48Å; K645-I649 VanDerWaalsContact O-CG1 3.23Å; K645-I649 WeakPolarHBondContact O-CG1 3.49Å; K645-I649 PolarHBondContact O-N 3.44Å
646E96.9Very high97.1Very high144 Ų14452.4 Ų52.467%0.67329%0.288SS*.Hα-helixtrans-63.3-43.9177.9-73.1176.4-168.700110.8A642 E643 F648 I649 A650A642-E646 WeakPolarHBondContact O-CG 3.46Å; A642-E646 PolarHBondContact O-N 2.86Å; E643-E646 PolarHBondContact O-N 3.29Å; E646-F648 PolarHBondContact O-N 3.36Å; E646-I649 PolarHBondContact O-N 3.06Å; E646-A650 WeakPolarHBondContact O-CB 3.34Å; E646-A650 PolarHBondContact O-N 3.37Å
647A97.4Very high97.1Very high62 Ų6255.4 Ų55.451%0.51230%0.304SS..Hα-helixtrans-62.1-42.1175.500000112.9E643 K651E643-A647 VanDerWaalsContact O-CB 3.29Å; E643-A647 WeakPolarHBondContact O-CB 3.29Å; E643-A647 PolarHBondContact O-N 3.09Å; A647-K651 PolarHBondContact O-N 2.97Å
648F98.1Very high97.2Very high4 Ų454 Ų542%0.01829%0.294CS..Hα-helixtrans-73.8-35.8178.5-171.9-150.3000112.3M628 L632 D644 K645 E646 K651 L652 L678 V681 G682 I685M628-F648 HydrophobicContact CG-CE1 3.55Å; M628-F648 HydrophobicContact CG-CZ 3.81Å; M628-F648 HydrophobicContact SD-CE1 3.91Å; L632-F648 HydrophobicContact CD1-CD1 3.59Å; L632-F648 HydrophobicContact CD1-CE1 3.98Å; L632-F648 HydrophobicContact CD1-CG 4.36Å; L632-F648 HydrophobicContact CD2-CD1 4.3Å; D644-F648 WeakPolarHBondContact O-CB 3.48Å; D644-F648 PolarHBondContact O-N 3.43Å; K645-F648 PolarHBondContact O-N 3.33Å; E646-F648 PolarHBondContact O-N 3.36Å; F648-K651 PolarHBondContact O-N 3.12Å; F648-L652 HydrophobicContact CD1-CD1 4.33Å; F648-L652 HydrophobicContact CD2-CD1 4.3Å; F648-L652 HydrophobicContact CD2-CG 4.08Å; F648-L652 HydrophobicContact CE1-CD1 4.26Å; F648-L652 HydrophobicContact CE2-CD1 4.23Å; F648-L652 HydrophobicContact CE2-CD2 3.95Å; F648-L652 HydrophobicContact CE2-CG 3.92Å; F648-L652 HydrophobicContact CG-CD1 4.34Å; F648-L652 HydrophobicContact CZ-CD1 4.21Å; F648-L652 HydrophobicContact CZ-CD2 4.12Å; F648-L652 HydrophobicContact CZ-CG 4.29Å; F648-L652 VanDerWaalsContact O-CG 3.24Å; F648-L652 WeakPolarHBondContact O-CG 3.46Å; F648-L652 PolarHBondContact O-N 2.66Å; F648-L678 HydrophobicContact CE2-CB 4.49Å; F648-L678 HydrophobicContact CE2-CD2 4.06Å; F648-L678 WeakPolarHBondContact CZ-O 3.46Å; F648-V681 HydrophobicContact CB-CG1 3.97Å; F648-V681 HydrophobicContact CD1-CG1 3.85Å; F648-V681 HydrophobicContact CD2-CB 3.86Å; F648-V681 HydrophobicContact CD2-CG1 3.6Å; F648-V681 HydrophobicContact CE1-CB 4.44Å; F648-V681 HydrophobicContact CE1-CG1 4.24Å; F648-V681 HydrophobicContact CE2-CB 3.77Å; F648-V681 HydrophobicContact CE2-CG1 4Å; F648-V681 HydrophobicContact CG-CB 4.25Å; F648-V681 HydrophobicContact CG-CG1 3.53Å; F648-V681 HydrophobicContact CZ-CB 4.08Å; F648-V681 HydrophobicContact CZ-CG1 4.31Å; F648-G682 VanDerWaalsContact CE1-CA 3.47Å; F648-I685 HydrophobicContact CD1-CD1 4Å; F648-I685 HydrophobicContact CE1-CD1 4.32Å
649I98Very high97.3Very high23 Ų2350.6 Ų50.612%0.11828%0.276CS..Hα-helixtrans-63.6-41.8173-71.2168.4000110.8L632 Y633 K645 E646 K651 L652 Q653L632-I649 HydrophobicContact CB-CD1 4.3Å; L632-I649 HydrophobicContact CB-CG1 4.41Å; L632-I649 HydrophobicContact CD1-CG1 3.96Å; Y633-I649 HydrophobicContact CD2-CD1 4.48Å; Y633-I649 HydrophobicContact CE1-CD1 4.2Å; Y633-I649 HydrophobicContact CE2-CD1 3.92Å; K645-I649 HydrophobicContact CD-CD1 4.43Å; K645-I649 HydrophobicContact CG-CD1 3.66Å; K645-I649 HydrophobicContact CG-CG1 4.47Å; K645-I649 WeakPolarHBondContact O-CB 3.48Å; K645-I649 VanDerWaalsContact O-CG1 3.23Å; K645-I649 WeakPolarHBondContact O-CG1 3.49Å; K645-I649 PolarHBondContact O-N 3.44Å; E646-I649 PolarHBondContact O-N 3.06Å; I649-K651 VanDerWaalsContact C-N 3.33Å; I649-K651 PolarHBondContact O-N 2.86Å; I649-L652 PolarHBondContact O-N 3.01Å; I649-Q653 PolarHBondContact O-N 3Å
650A97.7Very high97.1Very high61 Ų6156.4 Ų56.450%0.50430%0.299SS..Hα-helixtrans-59.8-42.317300000111.8E646 Q653 E654E646-A650 WeakPolarHBondContact O-CB 3.34Å; E646-A650 PolarHBondContact O-N 3.37Å; A650-Q653 WeakPolarHBondContact O-CB 3.4Å; A650-Q653 PolarHBondContact O-N 2.81Å; A650-E654 PolarHBondContact O-N 2.93Å
651K97.8Very high97Very high52 Ų5263 Ų6323%0.22633%0.329CS..Hα-helixtrans-67.8-32.7175.1-173.2166.7-169.9156.70113.8A647 F648 I649 Q653 E654 V655 E677 L678A647-K651 PolarHBondContact O-N 2.97Å; F648-K651 PolarHBondContact O-N 3.12Å; I649-K651 VanDerWaalsContact C-N 3.33Å; I649-K651 PolarHBondContact O-N 2.86Å; K651-Q653 VanDerWaalsContact C-N 3.3Å; K651-E654 PolarHBondContact O-N 2.86Å; K651-V655 WeakPolarHBondContact O-CG2 3.35Å; K651-V655 PolarHBondContact O-N 3.39Å; K651-V655 VanDerWaalsContact O-N 3.14Å; K651-E677 WeakPolarHBondContact CE-OE1 3.37Å; K651-E677 IonicContact NZ-OE1 3.96Å; K651-E677 PolarHBondContact NZ-OE1 3.34Å; K651-L678 HydrophobicContact CD-CD2 4.47Å; K651-L678 HydrophobicContact CG-CD2 4.04Å
652L98.2Very high96.9Very high0 Ų067.9 Ų67.90%035%0.353CS..Hα-helixtrans-69-31.4172.3-69.2164.6000111.1V625 M628 R629 L632 F648 I649 E656 L678V625-L652 HydrophobicContact CG1-CB 4.39Å; V625-L652 VanDerWaalsContact CG1-O 3.3Å; V625-L652 WeakPolarHBondContact CG1-O 3.28Å; V625-L652 HydrophobicContact CG2-CD2 4.21Å; M628-L652 HydrophobicContact CB-CD1 4.2Å; M628-L652 HydrophobicContact CB-CD2 4.32Å; M628-L652 HydrophobicContact CG-CD1 3.82Å; M628-L652 HydrophobicContact CG-CD2 4.35Å; R629-L652 HydrophobicContact CB-CD1 4.49Å; R629-L652 PolarHBondContact NH2-O 2.65Å; L632-L652 HydrophobicContact CD1-CD1 3.61Å; F648-L652 HydrophobicContact CD1-CD1 4.33Å; F648-L652 HydrophobicContact CD2-CD1 4.3Å; F648-L652 HydrophobicContact CD2-CG 4.08Å; F648-L652 HydrophobicContact CE1-CD1 4.26Å; F648-L652 HydrophobicContact CE2-CD1 4.23Å; F648-L652 HydrophobicContact CE2-CD2 3.95Å; F648-L652 HydrophobicContact CE2-CG 3.92Å; F648-L652 HydrophobicContact CG-CD1 4.34Å; F648-L652 HydrophobicContact CZ-CD1 4.21Å; F648-L652 HydrophobicContact CZ-CD2 4.12Å; F648-L652 HydrophobicContact CZ-CG 4.29Å; F648-L652 VanDerWaalsContact O-CG 3.24Å; F648-L652 WeakPolarHBondContact O-CG 3.46Å; F648-L652 PolarHBondContact O-N 2.66Å; I649-L652 PolarHBondContact O-N 3.01Å; L652-E656 PolarHBondContact O-N 2.76Å; L652-L678 HydrophobicContact CD2-CD1 4.07Å; L652-L678 HydrophobicContact CD2-CD2 3.97Å
653Q97.7Very high96.8Very high70 Ų7064.5 Ų64.533%0.32733%0.325SS..Hα-helixtrans-69.4-48.2169.9-162.761.655.400111.4R629 I649 A650 K651 V655 E656 D657R629-Q653 VanDerWaalsContact NH2-OE1 3.09Å; I649-Q653 PolarHBondContact O-N 3Å; A650-Q653 WeakPolarHBondContact O-CB 3.4Å; A650-Q653 PolarHBondContact O-N 2.81Å; K651-Q653 VanDerWaalsContact C-N 3.3Å; Q653-V655 PolarHBondContact O-N 3.47Å; Q653-V655 VanDerWaalsContact O-N 3.13Å; Q653-E656 PolarHBondContact NE2-OE2 3.37Å; Q653-E656 WeakPolarHBondContact O-CA 3.37Å; Q653-E656 WeakPolarHBondContact O-CB 3.44Å; Q653-E656 PolarHBondContact O-N 2.94Å; Q653-E656 PolarHBondContact OE1-OE2 2.95Å; Q653-D657 PolarHBondContact NE2-OD1 2.83Å; Q653-D657 PolarHBondContact O-N 2.81Å
654E97.6Very high96.6Very high102 Ų10263.3 Ų63.348%0.47732%0.32SS..Hα-helixtrans-51.6-39.3176.3-172.1-154.613200112.6A650 K651 W658 K674A650-E654 PolarHBondContact O-N 2.93Å; K651-E654 PolarHBondContact O-N 2.86Å; E654-W658 WeakPolarHBondContact O-CB 3.26Å; E654-W658 PolarHBondContact O-N 3.37Å; E654-W658 VanDerWaalsContact O-N 3.07Å; E654-K674 IonicContact OE1-NZ 2.81Å
655V97.6Very high96.5Very high0 Ų064.2 Ų64.20%032%0.324CS..Hα-helixtrans-81.2-25177.7-179.70000113.2V621 V625 K651 Q653 W658 L659 K674 L678V621-V655 HydrophobicContact CG1-CG1 3.57Å; V625-V655 HydrophobicContact CG2-CB 4.43Å; V625-V655 HydrophobicContact CG2-CG1 4.21Å; K651-V655 WeakPolarHBondContact O-CG2 3.35Å; K651-V655 PolarHBondContact O-N 3.39Å; K651-V655 VanDerWaalsContact O-N 3.14Å; Q653-V655 PolarHBondContact O-N 3.47Å; Q653-V655 VanDerWaalsContact O-N 3.13Å; V655-W658 HydrophobicContact CG1-CE3 4.29Å; V655-L659 VanDerWaalsContact O-CG 3.27Å; V655-L659 WeakPolarHBondContact O-CG 3.37Å; V655-L659 PolarHBondContact O-N 3.27Å; V655-L659 VanDerWaalsContact O-N 3.15Å; V655-K674 HydrophobicContact CG1-CD 4.41Å; V655-K674 HydrophobicContact CG2-CD 4.08Å; V655-L678 HydrophobicContact CB-CD1 4.21Å; V655-L678 HydrophobicContact CG1-CD1 3.95Å; V655-L678 HydrophobicContact CG2-CD1 4.35Å; V655-L678 HydrophobicContact CG2-CD2 4Å; V655-L678 HydrophobicContact CG2-CG 4.36Å
656E97.4Very high96.5Very high28 Ų2866.3 Ų66.313%0.13134%0.335CS..Hα-helixtrans-69-51.4168.8-173.4179.5-169.200110.9V625 Y626 R629 L652 Q653 W658 L659 Y660V625-E656 HydrophobicContact CG1-CB 4.12Å; Y626-E656 WeakPolarHBondContact CE1-OE1 3.28Å; Y626-E656 VanDerWaalsContact CZ-OE1 3.25Å; Y626-E656 PolarHBondContact OH-OE1 3.39Å; R629-E656 IonicContact CZ-OE2 3.34Å; R629-E656 IonicContact NH1-OE1 3.1Å; R629-E656 IonicContact NH1-OE2 3.81Å; R629-E656 PolarHBondContact NH1-OE2 2.91Å; R629-E656 IonicContact NH2-OE2 2.69Å; R629-E656 PolarHBondContact NH2-OE2 3.12Å; L652-E656 PolarHBondContact O-N 2.76Å; Q653-E656 PolarHBondContact NE2-OE2 3.37Å; Q653-E656 WeakPolarHBondContact O-CA 3.37Å; Q653-E656 WeakPolarHBondContact O-CB 3.44Å; Q653-E656 PolarHBondContact O-N 2.94Å; Q653-E656 PolarHBondContact OE1-OE2 2.95Å; E656-W658 VanDerWaalsContact C-N 3.28Å; E656-W658 PolarHBondContact O-N 3.41Å; E656-L659 WeakPolarHBondContact O-CB 3.39Å; E656-L659 PolarHBondContact O-N 3.49Å; E656-Y660 HydrophobicContact CG-CD2 4.13Å; E656-Y660 HydrophobicContact CG-CE2 3.79Å; E656-Y660 VanDerWaalsContact O-CD2 3.31Å; E656-Y660 WeakPolarHBondContact O-CD2 3.36Å; E656-Y660 PolarHBondContact O-N 3.03Å
657D97.5Very high96.4Very high76 Ų7663.3 Ų63.341%0.40633%0.327SS..Hα-helixtrans-57.8-46.1179.7-56.9-17.1000109.4Q653 L659 Y660 E661Q653-D657 PolarHBondContact NE2-OD1 2.83Å; Q653-D657 PolarHBondContact O-N 2.81Å; D657-L659 PolarHBondContact O-N 2.94Å; D657-Y660 PolarHBondContact O-N 3.47Å; D657-E661 PolarHBondContact O-N 2.93Å
658W97.7Very high96.4Very high42 Ų4264 Ų6416%0.15932%0.318CS..Hα-helixtrans-58.9-37.3173.4174.879.2000113.9E654 V655 E656 Y660 E661 G663 E666 V670 Y671 K674E654-W658 WeakPolarHBondContact O-CB 3.26Å; E654-W658 PolarHBondContact O-N 3.37Å; E654-W658 VanDerWaalsContact O-N 3.07Å; V655-W658 HydrophobicContact CG1-CE3 4.29Å; E656-W658 VanDerWaalsContact C-N 3.28Å; E656-W658 PolarHBondContact O-N 3.41Å; W658-Y660 PolarHBondContact O-N 3.4Å; W658-E661 CarbonylContact O-C 3.52Å; W658-E661 PolarHBondContact O-N 3.44Å; W658-G663 VanDerWaalsContact CE2-CA 3.42Å; W658-G663 WeakPolarHBondContact O-CA 3.18Å; W658-G663 PolarHBondContact O-N 3.05Å; W658-E666 HydrophobicContact CH2-CB 4.43Å; W658-E666 HydrophobicContact CZ2-CB 4.36Å; W658-E666 HydrophobicContact CZ2-CG 4.07Å; W658-V670 HydrophobicContact CH2-CG1 3.84Å; W658-V670 HydrophobicContact CZ2-CG1 3.7Å; W658-Y671 AromaticContact CH2-CD1 3.77Å; W658-Y671 HydrophobicContact CH2-CD1 3.77Å; W658-Y671 AromaticContact CH2-CE1 3.69Å; W658-Y671 HydrophobicContact CH2-CE1 3.69Å; W658-Y671 AromaticContact CZ3-CD1 3.96Å; W658-Y671 HydrophobicContact CZ3-CD1 3.96Å; W658-Y671 AromaticContact CZ3-CE1 3.93Å; W658-Y671 HydrophobicContact CZ3-CE1 3.93Å; W658-K674 HydrophobicContact CE3-CD 4.47Å; W658-K674 HydrophobicContact CE3-CG 4.34Å; W658-K674 HydrophobicContact CH2-CG 3.93Å; W658-K674 HydrophobicContact CZ2-CG 4.43Å; W658-K674 HydrophobicContact CZ3-CB 4.47Å; W658-K674 HydrophobicContact CZ3-CD 4.48Å; W658-K674 HydrophobicContact CZ3-CG 3.87Å
659L97.1Very high96.4Very high2 Ų266 Ų661%0.0134%0.34CS..Hα-helixtrans-66.2-22.7179.3-85.3170.1000113.9K618 V621 E622 V655 E656 D657 Y671K618-L659 HydrophobicContact CD-CD2 4.44Å; K618-L659 HydrophobicContact CG-CD2 3.7Å; K618-L659 PolarHBondContact NZ-O 3.5Å; V621-L659 HydrophobicContact CB-CD1 4.26Å; V621-L659 HydrophobicContact CG1-CD1 3.86Å; V621-L659 HydrophobicContact CG1-CG 4.42Å; E622-L659 HydrophobicContact CB-CD1 3.96Å; V655-L659 VanDerWaalsContact O-CG 3.27Å; V655-L659 WeakPolarHBondContact O-CG 3.37Å; V655-L659 PolarHBondContact O-N 3.27Å; V655-L659 VanDerWaalsContact O-N 3.15Å; E656-L659 WeakPolarHBondContact O-CB 3.39Å; E656-L659 PolarHBondContact O-N 3.49Å; D657-L659 PolarHBondContact O-N 2.94Å; L659-Y671 HydrophobicContact CD2-CD1 4.25Å; L659-Y671 HydrophobicContact CD2-CE1 3.88Å
660Y95Very high96.4Very high126 Ų12667.1 Ų67.149%0.49435%0.348SS..Hα-helixtrans-104.5-8.1177.8-61.5-59.6000113.6E622 Y626 E656 D657 W658E622-Y660 PolarHBondContact OE1-OH 2.96Å; Y626-Y660 PolarHBondContact OH-OH 2.97Å; E656-Y660 HydrophobicContact CG-CD2 4.13Å; E656-Y660 HydrophobicContact CG-CE2 3.79Å; E656-Y660 VanDerWaalsContact O-CD2 3.31Å; E656-Y660 WeakPolarHBondContact O-CD2 3.36Å; E656-Y660 PolarHBondContact O-N 3.03Å; D657-Y660 PolarHBondContact O-N 3.47Å; W658-Y660 PolarHBondContact O-N 3.4Å
661E94.9Very high96.4Very high145 Ų14564.4 Ų64.468%0.67833%0.325SS*.THydrogen-bonded Turntrans-110.1-119.9171.6-63.2-171.9165.900110.8D657 W658 G663 E664D657-E661 PolarHBondContact O-N 2.93Å; W658-E661 CarbonylContact O-C 3.52Å; W658-E661 PolarHBondContact O-N 3.44Å; E661-G663 PolarHBondContact O-N 2.83Å; E661-E664 PolarHBondContact O-N 2.91Å; E661-E664 VanDerWaalsContact O-N 3.11Å
662D93.7Very high96.4Very high146 Ų14664.4 Ų64.478%0.78133%0.329SS*.THydrogen-bonded Turntrans-56.1-25.5-173.8-71.8-29000114.7
663G92.9Very high96.4Very high0 Ų067 Ų670%035%0.35CS..THydrogen-bonded Turntrans-89.611.3-17900000115.2W658 E661 D665 Y671W658-G663 VanDerWaalsContact CE2-CA 3.42Å; W658-G663 WeakPolarHBondContact O-CA 3.18Å; W658-G663 PolarHBondContact O-N 3.05Å; E661-G663 PolarHBondContact O-N 2.83Å; G663-D665 VanDerWaalsContact C-N 3.31Å; G663-D665 PolarHBondContact O-N 2.94Å; G663-Y671 WeakPolarHBondContact O-CE1 3.42Å; G663-Y671 PolarHBondContact O-OH 3.38Å
664E92.8Very high96.4Very high136 Ų13665.2 Ų65.264%0.63634%0.342SS*.THydrogen-bonded Turntrans-62.1-38.9-178.2-158.8-159.7173.400112.5K618 E661 Y671K618-E664 PolarHBondContact NZ-O 3.07Å; E661-E664 PolarHBondContact O-N 2.91Å; E661-E664 VanDerWaalsContact O-N 3.11Å; E664-Y671 PolarHBondContact O-OH 3.22Å
665D93.8Very high96.4Very high104 Ų10461.4 Ų61.456%0.55632%0.324SS*.THydrogen-bonded Turntrans-129.945.3-168.1-164.826.5000113.3K44 G663K44-D665 VanDerWaalsContact CE-OD2 3.31Å; K44-D665 WeakPolarHBondContact CE-OD2 3.21Å; K44-D665 IonicContact NZ-OD1 3.95Å; K44-D665 PolarHBondContact NZ-OD1 3.45Å; K44-D665 IonicContact NZ-OD2 2.69Å; K44-D665 PolarHBondContact NZ-OD2 3.04Å; G663-D665 VanDerWaalsContact C-N 3.31Å; G663-D665 PolarHBondContact O-N 2.94Å
666E96.3Very high96.5Very high69 Ų6966.3 Ų66.332%0.32235%0.347SS..  trans-91.5166.4-175.6-100.2-72.7-17000113.7T614 W658 V670 Y671T614-E666 VanDerWaalsContact CG2-O 3.25Å; T614-E666 WeakPolarHBondContact CG2-O 3.43Å; W658-E666 HydrophobicContact CH2-CB 4.43Å; W658-E666 HydrophobicContact CZ2-CB 4.36Å; W658-E666 HydrophobicContact CZ2-CG 4.07Å; E666-V670 HydrophobicContact CB-CB 4.31Å; E666-V670 HydrophobicContact CB-CG1 4.22Å; E666-V670 HydrophobicContact CG-CB 4.45Å; E666-V670 HydrophobicContact CG-CG1 4.08Å; E666-V670 WeakPolarHBondContact OE2-CG2 3.45Å; E666-Y671 HydrophobicContact CB-CE1 4.04Å; E666-Y671 HydrophobicContact CB-CE2 4.2Å; E666-Y671 PolarHBondContact N-OH 3.17Å; E666-Y671 WeakPolarHBondContact O-CE2 3.49Å
667T96.5Very high96.5Very high82 Ų8268.3 Ų68.350%0.50336%0.357SS..  trans-74.7151.9-178.5670000112.2G669 V670 Y671T667-G669 PolarHBondContact O-N 2.89Å; T667-V670 PolarHBondContact O-N 2.62Å; T667-V670 WeakPolarHBondContact OG1-CG2 3.44Å; T667-Y671 PolarHBondContact O-N 2.65Å
668K96.7Very high96.5Very high75 Ų7564.7 Ų64.733%0.32634%0.337SS..Hα-helixtrans-44.8-39.2171.3-172.6-177.1175-1710113.4E613 T614 K617 V672E613-K668 HydrophobicContact CB-CD 4.18Å; E613-K668 IonicContact OE2-NZ 3.48Å; E613-K668 PolarHBondContact OE2-NZ 2.9Å; T614-K668 HydrophobicContact CG2-CB 4.5Å; T614-K668 WeakPolarHBondContact OG1-CB 3.28Å; K617-K668 HydrophobicContact CG-CG 4.03Å; K668-V672 VanDerWaalsContact O-CG2 3.29Å; K668-V672 WeakPolarHBondContact O-CG2 3.09Å; K668-V672 PolarHBondContact O-N 3.05Å
669G97.5Very high96.5Very high48 Ų4867.5 Ų67.550%0.49535%0.351SS..Hα-helixtrans-66-39.4179.900000113.1T667 V672 A673T667-G669 PolarHBondContact O-N 2.89Å; G669-V672 PolarHBondContact O-N 2.89Å; G669-A673 WeakPolarHBondContact O-CB 3.27Å; G669-A673 PolarHBondContact O-N 3.09Å
670V97.7Very high96.6Very high46 Ų4674.2 Ų74.228%0.27938%0.38SS..Hα-helixtrans-70.5-42.8178.8173.70000111W658 E666 T667 V672 A673 K674W658-V670 HydrophobicContact CH2-CG1 3.84Å; W658-V670 HydrophobicContact CZ2-CG1 3.7Å; E666-V670 HydrophobicContact CB-CB 4.31Å; E666-V670 HydrophobicContact CB-CG1 4.22Å; E666-V670 HydrophobicContact CG-CB 4.45Å; E666-V670 HydrophobicContact CG-CG1 4.08Å; E666-V670 WeakPolarHBondContact OE2-CG2 3.45Å; T667-V670 PolarHBondContact O-N 2.62Å; T667-V670 WeakPolarHBondContact OG1-CG2 3.44Å; V670-V672 PolarHBondContact O-N 3.08Å; V670-A673 PolarHBondContact O-N 3.35Å; V670-K674 PolarHBondContact O-N 2.9Å
671Y98.4Very high96.6Very high4 Ų471.1 Ų71.12%0.01637%0.374CS..Hα-helixtrans-62.4-40173.5-63.6-51000112.9T614 K618 V621 W658 L659 G663 E664 E666 T667 L675T614-Y671 HydrophobicContact CG2-CD2 3.98Å; T614-Y671 HydrophobicContact CG2-CE2 3.79Å; K618-Y671 HydrophobicContact CB-CD1 4.27Å; K618-Y671 HydrophobicContact CB-CD2 4.02Å; K618-Y671 HydrophobicContact CB-CE1 4.06Å; K618-Y671 HydrophobicContact CB-CE2 3.77Å; K618-Y671 HydrophobicContact CB-CG 4.27Å; K618-Y671 HydrophobicContact CD-CE1 4.35Å; K618-Y671 HydrophobicContact CG-CD1 4.32Å; K618-Y671 HydrophobicContact CG-CE1 3.78Å; K618-Y671 HydrophobicContact CG-CE2 4.23Å; V621-Y671 HydrophobicContact CG2-CD1 4.48Å; V621-Y671 VanDerWaalsContact CG2-O 3.23Å; V621-Y671 WeakPolarHBondContact CG2-O 3.3Å; W658-Y671 AromaticContact CH2-CD1 3.77Å; W658-Y671 HydrophobicContact CH2-CD1 3.77Å; W658-Y671 AromaticContact CH2-CE1 3.69Å; W658-Y671 HydrophobicContact CH2-CE1 3.69Å; W658-Y671 AromaticContact CZ3-CD1 3.96Å; W658-Y671 HydrophobicContact CZ3-CD1 3.96Å; W658-Y671 AromaticContact CZ3-CE1 3.93Å; W658-Y671 HydrophobicContact CZ3-CE1 3.93Å; L659-Y671 HydrophobicContact CD2-CD1 4.25Å; L659-Y671 HydrophobicContact CD2-CE1 3.88Å; G663-Y671 WeakPolarHBondContact O-CE1 3.42Å; G663-Y671 PolarHBondContact O-OH 3.38Å; E664-Y671 PolarHBondContact O-OH 3.22Å; E666-Y671 HydrophobicContact CB-CE1 4.04Å; E666-Y671 HydrophobicContact CB-CE2 4.2Å; E666-Y671 PolarHBondContact N-OH 3.17Å; E666-Y671 WeakPolarHBondContact O-CE2 3.49Å; T667-Y671 PolarHBondContact O-N 2.65Å; Y671-L675 WeakPolarHBondContact O-CB 3.48Å; Y671-L675 PolarHBondContact O-N 2.8Å
672V98.3Very high96.7Very high51 Ų5164.2 Ų64.231%0.30934%0.341SS..Hα-helixtrans-62.2-45.1173169.20000111K617 K668 G669 V670 L675 E676K617-V672 HydrophobicContact CB-CG2 4.4Å; K617-V672 HydrophobicContact CD-CG2 4.22Å; K617-V672 HydrophobicContact CG-CG2 3.91Å; K668-V672 VanDerWaalsContact O-CG2 3.29Å; K668-V672 WeakPolarHBondContact O-CG2 3.09Å; K668-V672 PolarHBondContact O-N 3.05Å; G669-V672 PolarHBondContact O-N 2.89Å; V670-V672 PolarHBondContact O-N 3.08Å; V672-L675 PolarHBondContact O-N 3.25Å; V672-E676 WeakPolarHBondContact O-CG 3.45Å; V672-E676 PolarHBondContact O-N 2.99Å
673A98.1Very high96.9Very high55 Ų5558.6 Ų58.646%0.45532%0.318SS..Hα-helixtrans-61.9-44.8178.700000112.6G669 V670 E676 E677G669-A673 WeakPolarHBondContact O-CB 3.27Å; G669-A673 PolarHBondContact O-N 3.09Å; V670-A673 PolarHBondContact O-N 3.35Å; A673-E676 PolarHBondContact O-N 3.36Å; A673-E677 WeakPolarHBondContact O-CB 3.37Å; A673-E677 PolarHBondContact O-N 2.73Å
674K97.3Very high97.1Very high33 Ų3361.4 Ų61.414%0.14334%0.336CS..Hα-helixtrans-61.5-42.7174.2-79-74.9-168.51770111.9V621 E654 V655 W658 V670 E676 E677 L678V621-K674 HydrophobicContact CG2-CB 4.47Å; E654-K674 IonicContact OE1-NZ 2.81Å; V655-K674 HydrophobicContact CG1-CD 4.41Å; V655-K674 HydrophobicContact CG2-CD 4.08Å; W658-K674 HydrophobicContact CE3-CD 4.47Å; W658-K674 HydrophobicContact CE3-CG 4.34Å; W658-K674 HydrophobicContact CH2-CG 3.93Å; W658-K674 HydrophobicContact CZ2-CG 4.43Å; W658-K674 HydrophobicContact CZ3-CB 4.47Å; W658-K674 HydrophobicContact CZ3-CD 4.48Å; W658-K674 HydrophobicContact CZ3-CG 3.87Å; V670-K674 PolarHBondContact O-N 2.9Å; K674-E676 PolarHBondContact O-N 3.4Å; K674-E677 WeakPolarHBondContact O-CB 3.49Å; K674-E677 PolarHBondContact O-N 3.2Å; K674-L678 WeakPolarHBondContact O-CG 3.15Å; K674-L678 PolarHBondContact O-N 3.09Å
675L98.2Very high97.3Very high22 Ų2255.2 Ų55.212%0.11531%0.308CS..Hα-helixtrans-64.2-40.3176.5-17456.2000112.3A620 V621 Y624 Y671 V672 K679A620-L675 HydrophobicContact CB-CD2 4.13Å; V621-L675 HydrophobicContact CG2-CB 3.98Å; Y624-L675 HydrophobicContact CD1-CD1 4.11Å; Y624-L675 HydrophobicContact CD2-CD1 4.18Å; Y624-L675 HydrophobicContact CG-CD1 3.72Å; Y671-L675 WeakPolarHBondContact O-CB 3.48Å; Y671-L675 PolarHBondContact O-N 2.8Å; V672-L675 PolarHBondContact O-N 3.25Å; L675-K679 HydrophobicContact CD1-CD 4.24Å; L675-K679 HydrophobicContact CD1-CG 4.5Å; L675-K679 HydrophobicContact CG-CD 4.12Å; L675-K679 VanDerWaalsContact O-CB 3.31Å; L675-K679 WeakPolarHBondContact O-CB 3.12Å; L675-K679 VanDerWaalsContact O-CG 3.28Å; L675-K679 WeakPolarHBondContact O-CG 3.49Å; L675-K679 PolarHBondContact O-N 3.38Å
676E98.2Very high97.5Very high102 Ų10253 Ų5348%0.47729%0.294SS..Hα-helixtrans-66.4-37.3173.2-75.1-170.5-179.700112.7V672 A673 K674 K679 K680V672-E676 WeakPolarHBondContact O-CG 3.45Å; V672-E676 PolarHBondContact O-N 2.99Å; A673-E676 PolarHBondContact O-N 3.36Å; K674-E676 PolarHBondContact O-N 3.4Å; E676-K679 PolarHBondContact O-N 3.23Å; E676-K680 WeakPolarHBondContact O-CD 3.4Å; E676-K680 VanDerWaalsContact O-CG 3.26Å; E676-K680 WeakPolarHBondContact O-CG 3.37Å; E676-K680 PolarHBondContact O-N 3.49Å; E676-K680 IonicContact OE2-NZ 2.87Å
677E97.6Very high97.5Very high71 Ų7152.4 Ų52.433%0.33230%0.301SS..Hα-helixtrans-62.1-46.2177.2-164.9-173.5178.700111.6K651 A673 K674 K680K651-E677 WeakPolarHBondContact CE-OE1 3.37Å; K651-E677 IonicContact NZ-OE1 3.96Å; K651-E677 PolarHBondContact NZ-OE1 3.34Å; A673-E677 WeakPolarHBondContact O-CB 3.37Å; A673-E677 PolarHBondContact O-N 2.73Å; K674-E677 WeakPolarHBondContact O-CB 3.49Å; K674-E677 PolarHBondContact O-N 3.2Å; E677-K680 PolarHBondContact O-N 3.07Å
678L98.3Very high97.5Very high0 Ų050.7 Ų50.70%029%0.285CS..Hα-helixtrans-67.4-37.3174.5-64.6178.4000112.2V621 Y624 V625 F648 K651 L652 V655 K674 K680 V681 G682V621-L678 HydrophobicContact CG1-CD1 4.44Å; Y624-L678 HydrophobicContact CD1-CB 4.07Å; Y624-L678 HydrophobicContact CD1-CD1 4.14Å; Y624-L678 HydrophobicContact CE1-CB 3.66Å; Y624-L678 HydrophobicContact CE1-CD1 4.49Å; V625-L678 HydrophobicContact CG2-CD1 3.66Å; F648-L678 HydrophobicContact CE2-CB 4.49Å; F648-L678 HydrophobicContact CE2-CD2 4.06Å; F648-L678 WeakPolarHBondContact CZ-O 3.46Å; K651-L678 HydrophobicContact CD-CD2 4.47Å; K651-L678 HydrophobicContact CG-CD2 4.04Å; L652-L678 HydrophobicContact CD2-CD1 4.07Å; L652-L678 HydrophobicContact CD2-CD2 3.97Å; V655-L678 HydrophobicContact CB-CD1 4.21Å; V655-L678 HydrophobicContact CG1-CD1 3.95Å; V655-L678 HydrophobicContact CG2-CD1 4.35Å; V655-L678 HydrophobicContact CG2-CD2 4Å; V655-L678 HydrophobicContact CG2-CG 4.36Å; K674-L678 WeakPolarHBondContact O-CG 3.15Å; K674-L678 PolarHBondContact O-N 3.09Å; L678-K680 VanDerWaalsContact C-N 3.34Å; L678-K680 PolarHBondContact O-N 2.88Å; L678-V681 PolarHBondContact O-N 2.9Å; L678-G682 PolarHBondContact O-N 3.36Å
679K98Very high97.5Very high101 Ų10149.3 Ų49.344%0.43928%0.278SS..Hα-helixtrans-69.3-26.1177.7-78.7176.6177.8177.20114Y624 L675 E676 V681 G683Y624-K679 HydrophobicContact CD2-CG 4.38Å; Y624-K679 HydrophobicContact CE1-CG 4.35Å; Y624-K679 HydrophobicContact CE2-CD 4.33Å; Y624-K679 HydrophobicContact CE2-CG 3.65Å; L675-K679 HydrophobicContact CD1-CD 4.24Å; L675-K679 HydrophobicContact CD1-CG 4.5Å; L675-K679 HydrophobicContact CG-CD 4.12Å; L675-K679 VanDerWaalsContact O-CB 3.31Å; L675-K679 WeakPolarHBondContact O-CB 3.12Å; L675-K679 VanDerWaalsContact O-CG 3.28Å; L675-K679 WeakPolarHBondContact O-CG 3.49Å; L675-K679 PolarHBondContact O-N 3.38Å; E676-K679 PolarHBondContact O-N 3.23Å; K679-V681 PolarHBondContact O-N 3.04Å; K679-G683 WeakPolarHBondContact O-CA 3.5Å; K679-G683 PolarHBondContact O-N 2.99Å
680K97.6Very high97.5Very high143 Ų14353.1 Ų53.162%0.62228%0.281SS*.Hα-helixtrans-63-28.2171.7-75.5156.4-169.6155.90112.6E676 E677 L678E676-K680 WeakPolarHBondContact O-CD 3.4Å; E676-K680 VanDerWaalsContact O-CG 3.26Å; E676-K680 WeakPolarHBondContact O-CG 3.37Å; E676-K680 PolarHBondContact O-N 3.49Å; E676-K680 IonicContact OE2-NZ 2.87Å; E677-K680 PolarHBondContact O-N 3.07Å; L678-K680 VanDerWaalsContact C-N 3.34Å; L678-K680 PolarHBondContact O-N 2.88Å
681V96.6Very high97.4Very high60 Ų6051.9 Ų51.936%0.36427%0.272SS..Hα-helixtrans-93.3-46.3176.8-172.60000111.8F648 L678 K679 P684F648-V681 HydrophobicContact CB-CG1 3.97Å; F648-V681 HydrophobicContact CD1-CG1 3.85Å; F648-V681 HydrophobicContact CD2-CB 3.86Å; F648-V681 HydrophobicContact CD2-CG1 3.6Å; F648-V681 HydrophobicContact CE1-CB 4.44Å; F648-V681 HydrophobicContact CE1-CG1 4.24Å; F648-V681 HydrophobicContact CE2-CB 3.77Å; F648-V681 HydrophobicContact CE2-CG1 4Å; F648-V681 HydrophobicContact CG-CB 4.25Å; F648-V681 HydrophobicContact CG-CG1 3.53Å; F648-V681 HydrophobicContact CZ-CB 4.08Å; F648-V681 HydrophobicContact CZ-CG1 4.31Å; L678-V681 PolarHBondContact O-N 2.9Å; K679-V681 PolarHBondContact O-N 3.04Å; V681-P684 WeakPolarHBondContact O-CD 3.46Å
682G97.2Very high97.3Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-73-37.2-177.800000114.5F648 L678 I685 E686F648-G682 VanDerWaalsContact CE1-CA 3.47Å; L678-G682 PolarHBondContact O-N 3.36Å; G682-I685 WeakPolarHBondContact O-CA 3.49Å; G682-I685 WeakPolarHBondContact O-CB 3.3Å; G682-I685 PolarHBondContact O-N 3Å; G682-E686 WeakPolarHBondContact O-CG 3.32Å; G682-E686 PolarHBondContact O-N 2.9Å
683G96.8Very high97.2Very high29 Ų2959.7 Ų59.730%0.29930%0.302SS..Hα-helixtrans-54.8-45.5-175.900000114.7K679 I685 E686 A687K679-G683 WeakPolarHBondContact O-CA 3.5Å; K679-G683 PolarHBondContact O-N 2.99Å; G683-I685 VanDerWaalsContact C-N 3.28Å; G683-I685 PolarHBondContact O-N 3.09Å; G683-E686 PolarHBondContact O-N 3.14Å; G683-A687 VanDerWaalsContact O-CB 3.3Å; G683-A687 WeakPolarHBondContact O-CB 3.46Å; G683-A687 PolarHBondContact O-N 2.95Å
684P97.1Very high97.1Very high58 Ų5860 Ų6038%0.37730%0.296SS..Hα-helixtrans-57.9-34.7171.7-28.436.2000114.5V681 R688V681-P684 WeakPolarHBondContact O-CD 3.46Å; P684-R688 VanDerWaalsContact O-CG 3.32Å; P684-R688 WeakPolarHBondContact O-CG 3.22Å; P684-R688 PolarHBondContact O-N 3.24Å; P684-R688 VanDerWaalsContact O-N 3.09Å
685I97.6Very high97Very high7 Ų759.6 Ų59.64%0.03629%0.293CS..Hα-helixtrans-72.4-47.1178.5-53.7169.5000109.7L632 Y636 F639 V640 F648 G682 G683 A687 R688 Y689L632-I685 HydrophobicContact CD2-CD1 3.98Å; L632-I685 HydrophobicContact CD2-CG2 4.47Å; Y636-I685 HydrophobicContact CD2-CG2 4.12Å; Y636-I685 HydrophobicContact CG-CG2 4.11Å; F639-I685 HydrophobicContact CB-CG2 4.12Å; V640-I685 HydrophobicContact CB-CD1 3.96Å; V640-I685 HydrophobicContact CB-CG1 4.24Å; V640-I685 HydrophobicContact CB-CG2 4.22Å; V640-I685 HydrophobicContact CG2-CD1 3.7Å; V640-I685 HydrophobicContact CG2-CG1 4.31Å; F648-I685 HydrophobicContact CD1-CD1 4Å; F648-I685 HydrophobicContact CE1-CD1 4.32Å; G682-I685 WeakPolarHBondContact O-CA 3.49Å; G682-I685 WeakPolarHBondContact O-CB 3.3Å; G682-I685 PolarHBondContact O-N 3Å; G683-I685 VanDerWaalsContact C-N 3.28Å; G683-I685 PolarHBondContact O-N 3.09Å; I685-A687 VanDerWaalsContact C-N 3.26Å; I685-A687 PolarHBondContact O-N 3.46Å; I685-R688 PolarHBondContact O-N 2.98Å; I685-Y689 PolarHBondContact O-N 2.8Å
686E97Very high96.8Very high57 Ų5760 Ų6027%0.26630%0.304SS..Hα-helixtrans-59.4-39.2175-53-147.7110.500111.4M628 K631 Y636 G682 G683 Y689 K690M628-E686 HydrophobicContact CE-CG 3.78Å; M628-E686 WeakPolarHBondContact CE-OE1 3.49Å; K631-E686 IonicContact NZ-OE1 3.86Å; K631-E686 PolarHBondContact NZ-OE1 3.18Å; Y636-E686 HydrophobicContact CE2-CB 4.4Å; Y636-E686 HydrophobicContact CE2-CG 3.59Å; Y636-E686 WeakPolarHBondContact CE2-OE1 3.4Å; Y636-E686 PolarHBondContact OH-OE1 2.7Å; G682-E686 WeakPolarHBondContact O-CG 3.32Å; G682-E686 PolarHBondContact O-N 2.9Å; G683-E686 PolarHBondContact O-N 3.14Å; E686-Y689 PolarHBondContact O-N 3.33Å; E686-K690 WeakPolarHBondContact O-CB 3.43Å; E686-K690 PolarHBondContact O-N 3.25Å
687A96.5Very high96.8Very high57 Ų5759.3 Ų59.347%0.47131%0.307SS..Hα-helixtrans-64.7-43.4177.500000112.4G683 I685 E691G683-A687 VanDerWaalsContact O-CB 3.3Å; G683-A687 WeakPolarHBondContact O-CB 3.46Å; G683-A687 PolarHBondContact O-N 2.95Å; I685-A687 VanDerWaalsContact C-N 3.26Å; I685-A687 PolarHBondContact O-N 3.46Å; A687-E691 WeakPolarHBondContact O-CB 3.35Å; A687-E691 PolarHBondContact O-N 3.34Å
688R97.2Very high96.7Very high45 Ų4556.1 Ų56.117%0.1729%0.293CS..Hα-helixtrans-63.3-44.1175.2-71.1169.6-166.6152.4-0.8112F639 P684 I685 W692 H755 N757F639-R688 HydrophobicContact CB-CB 4.23Å; F639-R688 HydrophobicContact CD1-CB 4.07Å; F639-R688 WeakPolarHBondContact O-CD 3.3Å; F639-R688 PolarHBondContact O-NH1 2.78Å; P684-R688 VanDerWaalsContact O-CG 3.32Å; P684-R688 WeakPolarHBondContact O-CG 3.22Å; P684-R688 PolarHBondContact O-N 3.24Å; P684-R688 VanDerWaalsContact O-N 3.09Å; I685-R688 PolarHBondContact O-N 2.98Å; R688-W692 WeakPolarHBondContact O-CB 3.28Å; R688-W692 PolarHBondContact O-N 3.29Å; R688-H755 PolarHBondContact NE-O 2.74Å; R688-H755 VanDerWaalsContact NE-O 3.16Å; R688-H755 PolarHBondContact NH1-O 3.34Å; R688-H755 VanDerWaalsContact NH1-O 3.13Å; R688-H755 PolarHBondContact NH2-O 3.03Å; R688-N757 PolarHBondContact NE-OD1 2.98Å; R688-N757 VanDerWaalsContact NE-OD1 3.13Å; R688-N757 PolarHBondContact NH2-OD1 2.6Å
689Y97Very high96.7Very high46 Ų4657.8 Ų57.818%0.1830%0.302CS..Hα-helixtrans-60.4-51.2176.3174.2-90.1000111.5K635 Y636 F639 I685 E686 W692 M693K635-Y689 HydrophobicContact CB-CD2 4.45Å; K635-Y689 HydrophobicContact CB-CE2 3.73Å; K635-Y689 HydrophobicContact CD-CE1 4.37Å; K635-Y689 HydrophobicContact CD-CE2 4.25Å; K635-Y689 HydrophobicContact CG-CE2 4.18Å; K635-Y689 VanDerWaalsContact O-CD2 3.28Å; K635-Y689 WeakPolarHBondContact O-CD2 3.23Å; K635-Y689 WeakPolarHBondContact O-CE2 3.46Å; Y636-Y689 HydrophobicContact CD1-CD1 4.2Å; Y636-Y689 AromaticContact CD1-CD2 3.7Å; Y636-Y689 HydrophobicContact CD1-CD2 3.7Å; Y636-Y689 HydrophobicContact CD1-CE2 4.41Å; Y636-Y689 AromaticContact CD1-CG 3.59Å; Y636-Y689 HydrophobicContact CD1-CG 3.59Å; Y636-Y689 AromaticContact CE1-CD1 3.62Å; Y636-Y689 HydrophobicContact CE1-CD1 3.62Å; Y636-Y689 AromaticContact CE1-CD2 3.97Å; Y636-Y689 HydrophobicContact CE1-CD2 3.97Å; Y636-Y689 HydrophobicContact CE1-CE1 4.23Å; Y636-Y689 AromaticContact CE1-CG 3.48Å; Y636-Y689 HydrophobicContact CE1-CG 3.48Å; Y636-Y689 VanDerWaalsContact CE1-CG 3.48Å; F639-Y689 AromaticContact CD2-CD2 3.85Å; F639-Y689 HydrophobicContact CD2-CD2 3.85Å; F639-Y689 AromaticContact CE2-CD2 3.59Å; F639-Y689 HydrophobicContact CE2-CD2 3.59Å; F639-Y689 HydrophobicContact CE2-CE2 4.3Å; F639-Y689 HydrophobicContact CZ-CD2 4.14Å; I685-Y689 PolarHBondContact O-N 2.8Å; E686-Y689 PolarHBondContact O-N 3.33Å; Y689-W692 WeakPolarHBondContact O-CB 3.31Å; Y689-W692 PolarHBondContact O-N 2.98Å; Y689-M693 HydrophobicContact CD1-SD 4.33Å; Y689-M693 HydrophobicContact CE1-CG 4.07Å; Y689-M693 HydrophobicContact CE1-SD 3.35Å; Y689-M693 WeakPolarHBondContact CE1-SD 3.41Å; Y689-M693 VanDerWaalsContact CZ-SD 3.5Å; Y689-M693 PolarHBondContact O-N 3.07Å; Y689-M693 VanDerWaalsContact O-N 3.07Å; Y689-M693 PolarHBondContact OH-SD 3.21Å
690K96.5Very high96.6Very high128 Ų12858 Ų5856%0.55731%0.308SS*.Hα-helixtrans-61.4-47.5179.7177.1169.9179.5170.90111.6E686 W692 M693 D694E686-K690 WeakPolarHBondContact O-CB 3.43Å; E686-K690 PolarHBondContact O-N 3.25Å; K690-W692 PolarHBondContact O-N 3.49Å; K690-M693 PolarHBondContact O-N 3.45Å; K690-M693 VanDerWaalsContact O-N 3.09Å; K690-D694 WeakPolarHBondContact CE-OD2 3.48Å; K690-D694 WeakPolarHBondContact CG-OD2 3.43Å; K690-D694 WeakPolarHBondContact O-CB 3.24Å; K690-D694 PolarHBondContact O-N 2.93Å
691E96.6Very high96.5Very high20 Ų2056.4 Ų56.49%0.09330%0.302CS..Hα-helixtrans-66.2-27.5179.4178.237.9-122.500111.6A687 R695 P758 L760 L761 S762A687-E691 WeakPolarHBondContact O-CB 3.35Å; A687-E691 PolarHBondContact O-N 3.34Å; E691-R695 WeakPolarHBondContact O-CB 3.49Å; E691-R695 PolarHBondContact O-N 3.02Å; E691-R695 VanDerWaalsContact O-N 3.17Å; E691-R695 PolarHBondContact O-NH2 2.92Å; E691-R695 VanDerWaalsContact O-NH2 3.17Å; E691-R695 IonicContact OE1-CZ 2.7Å; E691-R695 IonicContact OE1-NE 3.73Å; E691-R695 PolarHBondContact OE1-NE 3.4Å; E691-R695 IonicContact OE1-NH2 3.53Å; E691-R695 PolarHBondContact OE1-NH2 3.21Å; E691-P758 HydrophobicContact CB-CG 4.32Å; E691-P758 HydrophobicContact CG-CB 4.05Å; E691-P758 HydrophobicContact CG-CG 3.54Å; E691-L760 VanDerWaalsContact OE1-O 3.1Å; E691-L761 HydrophobicContact CG-CD2 3.9Å; E691-L761 WeakPolarHBondContact OE1-CA 3.43Å; E691-S762 VanDerWaalsContact CD-N 3.29Å; E691-S762 PolarHBondContact OE1-N 2.95Å; E691-S762 WeakPolarHBondContact OE2-CB 3.13Å; E691-S762 PolarHBondContact OE2-N 3.23Å; E691-S762 PolarHBondContact OE2-OG 2.84Å
692W95.6Very high96.5Very high120 Ų12053.6 Ų53.646%0.45529%0.285SS..Hα-helixtrans-68.9-40168.7177.783.8000113.2F639 R688 Y689 K690F639-W692 HydrophobicContact CE1-CB 3.5Å; F639-W692 HydrophobicContact CE1-CD2 4.04Å; F639-W692 HydrophobicContact CE1-CE3 4.42Å; F639-W692 AromaticContact CE1-CG 3.63Å; F639-W692 HydrophobicContact CE1-CG 3.63Å; F639-W692 HydrophobicContact CZ-CB 4Å; F639-W692 AromaticContact CZ-CD2 3.65Å; F639-W692 HydrophobicContact CZ-CD2 3.65Å; F639-W692 AromaticContact CZ-CE3 3.7Å; F639-W692 HydrophobicContact CZ-CE3 3.7Å; F639-W692 AromaticContact CZ-CG 3.78Å; F639-W692 HydrophobicContact CZ-CG 3.78Å; F639-W692 HydrophobicContact CZ-CZ3 4.43Å; R688-W692 WeakPolarHBondContact O-CB 3.28Å; R688-W692 PolarHBondContact O-N 3.29Å; Y689-W692 WeakPolarHBondContact O-CB 3.31Å; Y689-W692 PolarHBondContact O-N 2.98Å; K690-W692 PolarHBondContact O-N 3.49Å
693M95.7Very high96.5Very high100 Ų10055 Ų5549%0.49330%0.297SS..Hα-helixtrans-65.7-50.5172.6-70.6-16969.300112.3Y689 K690 R695 P697Y689-M693 HydrophobicContact CD1-SD 4.33Å; Y689-M693 HydrophobicContact CE1-CG 4.07Å; Y689-M693 HydrophobicContact CE1-SD 3.35Å; Y689-M693 WeakPolarHBondContact CE1-SD 3.41Å; Y689-M693 VanDerWaalsContact CZ-SD 3.5Å; Y689-M693 PolarHBondContact O-N 3.07Å; Y689-M693 VanDerWaalsContact O-N 3.07Å; Y689-M693 PolarHBondContact OH-SD 3.21Å; K690-M693 PolarHBondContact O-N 3.45Å; K690-M693 VanDerWaalsContact O-N 3.09Å; M693-R695 VanDerWaalsContact C-N 3.28Å; M693-R695 PolarHBondContact O-N 3.48Å; M693-P697 VanDerWaalsContact O-CD 3.31Å; M693-P697 WeakPolarHBondContact O-CD 3.48Å
694D96.3Very high96.4Very high60 Ų6061.8 Ų61.832%0.32132%0.315SS..Hα-helixtrans-69.6-23.1-172.8-71.6-9.3000112.9K690 S698K690-D694 WeakPolarHBondContact CE-OD2 3.48Å; K690-D694 WeakPolarHBondContact CG-OD2 3.43Å; K690-D694 WeakPolarHBondContact O-CB 3.24Å; K690-D694 PolarHBondContact O-N 2.93Å; D694-S698 WeakPolarHBondContact O-CB 3.49Å; D694-S698 PolarHBondContact O-N 2.81Å; D694-S698 PolarHBondContact O-OG 3.06Å
695R95.5Very high96.4Very high25 Ų2559.8 Ų59.89%0.09430%0.302CS..Hα-helixtrans-67.6-43.3-176.7-173.3-175.2-54.9111.628.2113.4E691 M693 S698 I699 L760 L765E691-R695 WeakPolarHBondContact O-CB 3.49Å; E691-R695 PolarHBondContact O-N 3.02Å; E691-R695 VanDerWaalsContact O-N 3.17Å; E691-R695 PolarHBondContact O-NH2 2.92Å; E691-R695 VanDerWaalsContact O-NH2 3.17Å; E691-R695 IonicContact OE1-CZ 2.7Å; E691-R695 IonicContact OE1-NE 3.73Å; E691-R695 PolarHBondContact OE1-NE 3.4Å; E691-R695 IonicContact OE1-NH2 3.53Å; E691-R695 PolarHBondContact OE1-NH2 3.21Å; M693-R695 VanDerWaalsContact C-N 3.28Å; M693-R695 PolarHBondContact O-N 3.48Å; R695-S698 CarbonylContact O-C 3.53Å; R695-S698 WeakPolarHBondContact O-CB 3.45Å; R695-S698 PolarHBondContact O-N 3.26Å; R695-S698 VanDerWaalsContact O-N 3.12Å; R695-I699 HydrophobicContact CG-CD1 3.78Å; R695-I699 HydrophobicContact CG-CG1 4.13Å; R695-I699 WeakPolarHBondContact O-CG1 3.25Å; R695-I699 PolarHBondContact O-N 2.87Å; R695-L760 PolarHBondContact NE-O 3.29Å; R695-L765 HydrophobicContact CG-CD1 3.83Å
696G94.6Very high96.4Very high32 Ų3259.7 Ų59.733%0.3330%0.301SS..Hα-helixtrans-54.9-61.1-177.500000112.2S698 I699 D700G696-S698 PolarHBondContact O-N 3.21Å; G696-S698 VanDerWaalsContact O-N 3.15Å; G696-I699 WeakPolarHBondContact O-CB 3.49Å; G696-I699 PolarHBondContact O-N 3.48Å; G696-D700 PolarHBondContact O-N 2.7Å
697P96.9Very high96.3Very high86 Ų8660.2 Ų60.256%0.55831%0.306SS*.Hα-helixtrans-57.5-30.7175-26.135.8000113.9M693 Q701M693-P697 VanDerWaalsContact O-CD 3.31Å; M693-P697 WeakPolarHBondContact O-CD 3.48Å; P697-Q701 WeakPolarHBondContact O-CB 3.47Å; P697-Q701 PolarHBondContact O-N 3.46Å
698S96.5Very high96.2Very high4 Ų460 Ų603%0.02830%0.302CS..Hα-helixtrans-73.7-30.1176.5-570000113.1D694 R695 G696 L702 K766D694-S698 WeakPolarHBondContact O-CB 3.49Å; D694-S698 PolarHBondContact O-N 2.81Å; D694-S698 PolarHBondContact O-OG 3.06Å; R695-S698 CarbonylContact O-C 3.53Å; R695-S698 WeakPolarHBondContact O-CB 3.45Å; R695-S698 PolarHBondContact O-N 3.26Å; R695-S698 VanDerWaalsContact O-N 3.12Å; G696-S698 PolarHBondContact O-N 3.21Å; G696-S698 VanDerWaalsContact O-N 3.15Å; S698-L702 PolarHBondContact O-N 3.02Å; S698-K766 WeakPolarHBondContact OG-CE 3.41Å
699I97.2Very high96.1Very high35 Ų3558.9 Ų58.918%0.17930%0.298CS..Hα-helixtrans-68.1-49169.8-71.5168.4000109.2R695 G696 Q701 L702 A703 L742 I746 L760 L765R695-I699 HydrophobicContact CG-CD1 3.78Å; R695-I699 HydrophobicContact CG-CG1 4.13Å; R695-I699 WeakPolarHBondContact O-CG1 3.25Å; R695-I699 PolarHBondContact O-N 2.87Å; G696-I699 WeakPolarHBondContact O-CB 3.49Å; G696-I699 PolarHBondContact O-N 3.48Å; I699-Q701 VanDerWaalsContact C-N 3.33Å; I699-Q701 PolarHBondContact O-N 2.83Å; I699-L702 PolarHBondContact O-N 3.06Å; I699-L702 VanDerWaalsContact O-N 3.16Å; I699-A703 WeakPolarHBondContact O-CB 3.43Å; I699-A703 PolarHBondContact O-N 3.5Å; I699-L742 HydrophobicContact CG1-CD1 4.29Å; I699-L742 HydrophobicContact CG2-CD1 4.37Å; I699-L742 HydrophobicContact CG2-CD2 4.47Å; I699-I746 HydrophobicContact CD1-CD1 3.96Å; I699-I746 HydrophobicContact CD1-CG1 3.86Å; I699-I746 HydrophobicContact CG1-CD1 4.35Å; I699-I746 HydrophobicContact CG1-CG1 4.48Å; I699-I746 HydrophobicContact CG2-CD1 3.92Å; I699-L760 HydrophobicContact CD1-CD2 4.35Å; I699-L760 HydrophobicContact CG1-CD2 4.49Å; I699-L765 HydrophobicContact CG1-CD1 3.73Å; I699-L765 HydrophobicContact CG1-CD2 4.05Å
700D96.3Very high96Very high106 Ų10658.5 Ų58.557%0.56730%0.296SS*.Hα-helixtrans-60.9-41.2-178.9-64.3-35000111.7G696 L702 A703 Y704G696-D700 PolarHBondContact O-N 2.7Å; D700-L702 PolarHBondContact O-N 2.95Å; D700-A703 PolarHBondContact O-N 3.45Å; D700-Y704 VanDerWaalsContact O-CB 3.31Å; D700-Y704 WeakPolarHBondContact O-CB 3.24Å; D700-Y704 PolarHBondContact O-N 3.35Å
701Q95.8Very high95.9Very high109 Ų10957.2 Ų57.251%0.50930%0.295SS..Hα-helixtrans-61.3-42.1175.2-172.1179.22300112.5P697 I699 C705P697-Q701 WeakPolarHBondContact O-CB 3.47Å; P697-Q701 PolarHBondContact O-N 3.46Å; I699-Q701 VanDerWaalsContact C-N 3.33Å; I699-Q701 PolarHBondContact O-N 2.83Å; Q701-C705 WeakPolarHBondContact O-CB 3.41Å; Q701-C705 PolarHBondContact O-N 3.41Å
702L97Very high95.6Very high1 Ų157.1 Ų57.11%0.00530%0.298CS..Hα-helixtrans-70.1-42.4176.717559.2000111.6S698 I699 D700 Y704 C705 I706 W741 L742 L765 K768 A769S698-L702 PolarHBondContact O-N 3.02Å; I699-L702 PolarHBondContact O-N 3.06Å; I699-L702 VanDerWaalsContact O-N 3.16Å; D700-L702 PolarHBondContact O-N 2.95Å; L702-Y704 VanDerWaalsContact C-N 3.34Å; L702-Y704 PolarHBondContact O-N 3.14Å; L702-C705 WeakPolarHBondContact O-CB 3.49Å; L702-C705 PolarHBondContact O-N 3.21Å; L702-I706 HydrophobicContact CD1-CD1 3.88Å; L702-I706 HydrophobicContact CD1-CG1 4.11Å; L702-I706 HydrophobicContact CG-CD1 3.86Å; L702-I706 VanDerWaalsContact O-CG1 3.29Å; L702-I706 WeakPolarHBondContact O-CG1 3.39Å; L702-I706 PolarHBondContact O-N 2.67Å; L702-W741 HydrophobicContact CD2-CE3 4.39Å; L702-W741 HydrophobicContact CD2-CZ3 3.89Å; L702-L742 HydrophobicContact CD2-CB 4.36Å; L702-L742 HydrophobicContact CD2-CD1 4.01Å; L702-L742 HydrophobicContact CD2-CD2 4.02Å; L702-L742 HydrophobicContact CD2-CG 4.36Å; L702-L742 HydrophobicContact CG-CD2 4.11Å; L702-L765 HydrophobicContact CD2-CD2 3.71Å; L702-K768 HydrophobicContact CD1-CB 4.31Å; L702-K768 HydrophobicContact CD1-CG 4.05Å; L702-K768 HydrophobicContact CD2-CB 4.08Å; L702-K768 HydrophobicContact CD2-CG 3.93Å; L702-A769 HydrophobicContact CB-CB 4.41Å; L702-A769 HydrophobicContact CD1-CB 3.89Å
703A96.6Very high95.4Very high30 Ų3051.8 Ų51.825%0.24828%0.279CS..Hα-helixtrans-61.7-42.2176.300000111.6I699 D700 I706 N707I699-A703 WeakPolarHBondContact O-CB 3.43Å; I699-A703 PolarHBondContact O-N 3.5Å; D700-A703 PolarHBondContact O-N 3.45Å; A703-I706 PolarHBondContact O-N 2.98Å; A703-N707 WeakPolarHBondContact O-CB 3.06Å; A703-N707 VanDerWaalsContact O-CG 3.31Å; A703-N707 PolarHBondContact O-N 2.87Å; A703-N707 PolarHBondContact O-ND2 2.82Å
704Y96Very high95.1Very high171 Ų17152.2 Ų52.267%0.67128%0.283SS*.Hα-helixtrans-61.1-44.3173177.7-99.1000112.2D700 L702 N707 S708D700-Y704 VanDerWaalsContact O-CB 3.31Å; D700-Y704 WeakPolarHBondContact O-CB 3.24Å; D700-Y704 PolarHBondContact O-N 3.35Å; L702-Y704 VanDerWaalsContact C-N 3.34Å; L702-Y704 PolarHBondContact O-N 3.14Å; Y704-N707 PolarHBondContact O-N 3.08Å; Y704-S708 WeakPolarHBondContact O-CB 3.4Å; Y704-S708 PolarHBondContact O-N 3.33Å
705C95.8Very high94.8Very high17 Ų1751.3 Ų51.312%0.11528%0.282CS..Hα-helixtrans-58.8-50175.5-176.60000111.7Q701 L702 N707 S708 F709Q701-C705 WeakPolarHBondContact O-CB 3.41Å; Q701-C705 PolarHBondContact O-N 3.41Å; L702-C705 WeakPolarHBondContact O-CB 3.49Å; L702-C705 PolarHBondContact O-N 3.21Å; C705-N707 PolarHBondContact O-N 2.82Å; C705-S708 PolarHBondContact O-N 3.37Å; C705-F709 VanDerWaalsContact O-CD2 3.26Å; C705-F709 WeakPolarHBondContact O-CD2 2.9Å; C705-F709 PolarHBondContact O-N 3.17Å
706I96.9Very high94.3Very high4 Ų459.5 Ų59.52%0.02132%0.318CS..Hα-helixtrans-58-49.5178.2-70.6166.3000111.3L702 A703 R710 C735 A738 E739 L742L702-I706 HydrophobicContact CD1-CD1 3.88Å; L702-I706 HydrophobicContact CD1-CG1 4.11Å; L702-I706 HydrophobicContact CG-CD1 3.86Å; L702-I706 VanDerWaalsContact O-CG1 3.29Å; L702-I706 WeakPolarHBondContact O-CG1 3.39Å; L702-I706 PolarHBondContact O-N 2.67Å; A703-I706 PolarHBondContact O-N 2.98Å; I706-R710 VanDerWaalsContact O-CB 3.28Å; I706-R710 WeakPolarHBondContact O-CB 3.44Å; I706-R710 PolarHBondContact O-N 3.42Å; I706-C735 HydrophobicContact CG2-CB 3.98Å; I706-C735 PolarHBondContact O-SG 3.47Å; I706-A738 HydrophobicContact CD1-CB 3.71Å; I706-A738 HydrophobicContact CG1-CB 3.89Å; I706-E739 HydrophobicContact CG2-CB 4.34Å; I706-L742 HydrophobicContact CD1-CD2 4.38Å
707N95.7Very high93.7Very high68 Ų6860.6 Ų60.636%0.36432%0.316SS..Hα-helixtrans-69.3-42.3-177-70.9-25000111.9A703 Y704 C705 F709 R710 D711A703-N707 WeakPolarHBondContact O-CB 3.06Å; A703-N707 VanDerWaalsContact O-CG 3.31Å; A703-N707 PolarHBondContact O-N 2.87Å; A703-N707 PolarHBondContact O-ND2 2.82Å; Y704-N707 PolarHBondContact O-N 3.08Å; C705-N707 PolarHBondContact O-N 2.82Å; N707-F709 VanDerWaalsContact C-N 3.35Å; N707-F709 PolarHBondContact O-N 3.31Å; N707-R710 PolarHBondContact O-N 3.27Å; N707-D711 WeakPolarHBondContact O-CB 3.43Å; N707-D711 PolarHBondContact O-N 3.32Å
708S94.9Very high93.1Very high54 Ų5460.4 Ų60.438%0.37832%0.315SS..Hα-helixtrans-55.5-46.1176.6-177.60000112.4Y704 C705 A712Y704-S708 WeakPolarHBondContact O-CB 3.4Å; Y704-S708 PolarHBondContact O-N 3.33Å; C705-S708 PolarHBondContact O-N 3.37Å; S708-A712 WeakPolarHBondContact O-CB 3.48Å; S708-A712 PolarHBondContact O-N 2.94Å
709F95.5Very high92.4Very high20 Ų2065.9 Ų65.99%0.08834%0.338CS..Hα-helixtrans-73.3-35.1176.7-74.4-62.2000113.7C705 N707 A713 V731 V772 D773 C776 K777 M780C705-F709 VanDerWaalsContact O-CD2 3.26Å; C705-F709 WeakPolarHBondContact O-CD2 2.9Å; C705-F709 PolarHBondContact O-N 3.17Å; N707-F709 VanDerWaalsContact C-N 3.35Å; N707-F709 PolarHBondContact O-N 3.31Å; F709-A713 WeakPolarHBondContact O-CB 3.15Å; F709-A713 PolarHBondContact O-N 3.45Å; F709-V731 HydrophobicContact CB-CG1 3.98Å; F709-V772 HydrophobicContact CD2-CG1 4.1Å; F709-D773 HydrophobicContact CE2-CB 4.17Å; F709-D773 HydrophobicContact CZ-CB 4.5Å; F709-D773 WeakPolarHBondContact CZ-OD1 3.48Å; F709-C776 HydrophobicContact CB-CB 3.89Å; F709-C776 HydrophobicContact CD1-CB 3.43Å; F709-C776 VanDerWaalsContact CD1-CB 3.43Å; F709-C776 HydrophobicContact CD2-CB 3.77Å; F709-C776 HydrophobicContact CE1-CB 3.83Å; F709-C776 HydrophobicContact CE2-CB 4.15Å; F709-C776 HydrophobicContact CG-CB 3.4Å; F709-C776 VanDerWaalsContact CG-CB 3.4Å; F709-C776 HydrophobicContact CZ-CB 4.18Å; F709-K777 HydrophobicContact CE1-CB 4.12Å; F709-K777 HydrophobicContact CZ-CB 3.92Å; F709-K777 HydrophobicContact CZ-CG 4.47Å; F709-M780 HydrophobicContact CD1-CB 4.3Å; F709-M780 HydrophobicContact CD1-CG 4.1Å; F709-M780 HydrophobicContact CE1-CB 4.46Å
710R95Very high91.8Very high39 Ų3965.3 Ų65.315%0.14734%0.335CS..Hα-helixtrans-63.6-49.1174.9172.5179-78.2165.3-11.1111.3I706 N707 A713 L714 C735 S736 E739I706-R710 VanDerWaalsContact O-CB 3.28Å; I706-R710 WeakPolarHBondContact O-CB 3.44Å; I706-R710 PolarHBondContact O-N 3.42Å; N707-R710 PolarHBondContact O-N 3.27Å; R710-A713 PolarHBondContact O-N 2.94Å; R710-L714 HydrophobicContact CG-CD1 3.91Å; R710-L714 WeakPolarHBondContact O-CB 3.25Å; R710-L714 WeakPolarHBondContact O-CG 3.42Å; R710-L714 PolarHBondContact O-N 3.34Å; R710-C735 HydrophobicContact CB-CB 4.24Å; R710-S736 PolarHBondContact NH2-OG 3.03Å; R710-E739 IonicContact CZ-OE1 3.2Å; R710-E739 IonicContact CZ-OE2 3.76Å; R710-E739 IonicContact NH1-OE1 2.81Å; R710-E739 PolarHBondContact NH1-OE1 3.31Å; R710-E739 IonicContact NH1-OE2 2.74Å; R710-E739 PolarHBondContact NH1-OE2 3.05Å; R710-E739 VanDerWaalsContact NH1-OE2 3.1Å; R710-E739 IonicContact NH2-OE1 3.56Å; R710-E739 IonicContact NH2-OE2 3.91Å; R710-E739 PolarHBondContact NH2-OE2 2.92Å
711D93.1Very high91.1Very high100 Ų10065.2 Ų65.254%0.53533%0.334SS..Hα-helixtrans-67.2-38.7-180-68.9-16.2000110.9N707 A713 L714 S715N707-D711 WeakPolarHBondContact O-CB 3.43Å; N707-D711 PolarHBondContact O-N 3.32Å; D711-A713 PolarHBondContact O-N 2.92Å; D711-L714 PolarHBondContact O-N 3.47Å; D711-S715 WeakPolarHBondContact O-CB 3.4Å; D711-S715 PolarHBondContact O-N 3.04Å
712A91Very high90.6Very high19 Ų1961.8 Ų61.816%0.15732%0.318CS..Hα-helixtrans-60-42.5171.600000112.4S708 S715 F720 M780S708-A712 WeakPolarHBondContact O-CB 3.48Å; S708-A712 PolarHBondContact O-N 2.94Å; A712-S715 PolarHBondContact O-N 3.1Å; A712-F720 HydrophobicContact CB-CE1 4.47Å; A712-F720 HydrophobicContact CB-CE2 3.91Å; A712-F720 HydrophobicContact CB-CZ 3.68Å; A712-F720 VanDerWaalsContact O-CD2 3.26Å; A712-F720 WeakPolarHBondContact O-CD2 3.22Å; A712-F720 WeakPolarHBondContact O-CE2 3.28Å; A712-M780 HydrophobicContact CB-CE 3.93Å; A712-M780 WeakPolarHBondContact O-CE 3.47Å
713A90.4Very high90Very high7 Ų762 Ų626%0.05832%0.319CS..Hα-helixtrans-71.8-31178.600000113.4F709 R710 D711 K728 V731 I732 M780F709-A713 WeakPolarHBondContact O-CB 3.15Å; F709-A713 PolarHBondContact O-N 3.45Å; R710-A713 PolarHBondContact O-N 2.94Å; D711-A713 PolarHBondContact O-N 2.92Å; A713-K728 HydrophobicContact CB-CB 4.38Å; A713-V731 HydrophobicContact CB-CB 4.18Å; A713-V731 HydrophobicContact CB-CG1 3.94Å; A713-I732 HydrophobicContact CB-CD1 4.19Å; A713-I732 HydrophobicContact CB-CG1 3.76Å; A713-M780 HydrophobicContact CB-CE 4.42Å; A713-M780 HydrophobicContact CB-SD 4.19Å
714L90.5Very high89.5Confident109 Ų10966.7 Ų66.757%0.57134%0.336SS*.Hα-helixtrans-85.9-11.6175.8-68173.1000113.7R710 D711 I732R710-L714 HydrophobicContact CG-CD1 3.91Å; R710-L714 WeakPolarHBondContact O-CB 3.25Å; R710-L714 WeakPolarHBondContact O-CG 3.42Å; R710-L714 PolarHBondContact O-N 3.34Å; D711-L714 PolarHBondContact O-N 3.47Å; L714-I732 HydrophobicContact CD2-CD1 3.67Å; L714-I732 HydrophobicContact CD2-CG1 4.45Å; L714-I732 HydrophobicContact CG-CD1 4.16Å; L714-I732 HydrophobicContact CG-CG1 4.49Å
715S89Confident89Confident42 Ų4265.1 Ų65.129%0.29434%0.336SS..  trans-69.5144.7-175.1-177.40000113.4D711 A712 D717D711-S715 WeakPolarHBondContact O-CB 3.4Å; D711-S715 PolarHBondContact O-N 3.04Å; A712-S715 PolarHBondContact O-N 3.1Å; S715-D717 VanDerWaalsContact C-N 3.33Å; S715-D717 VanDerWaalsContact OG-CB 3.28Å; S715-D717 WeakPolarHBondContact OG-CB 3.21Å; S715-D717 PolarHBondContact OG-N 3.46Å; S715-D717 VanDerWaalsContact OG-N 3.11Å
716K84.7Confident88.7Confident196 Ų19671.4 Ų71.485%0.85236%0.364SS*.  trans-96.519.1172.3-58.6-179.3-178.3177.60112.4
717D84.1Confident88.4Confident56 Ų5673.2 Ų73.230%0.29937%0.372SS..  trans-69.3125.1174.8-175-37.7000110.3S715 K719 F720S715-D717 VanDerWaalsContact C-N 3.33Å; S715-D717 VanDerWaalsContact OG-CB 3.28Å; S715-D717 WeakPolarHBondContact OG-CB 3.21Å; S715-D717 PolarHBondContact OG-N 3.46Å; S715-D717 VanDerWaalsContact OG-N 3.11Å; D717-K719 HydrophobicContact CB-CD 4.47Å; D717-K719 HydrophobicContact CB-CG 4.28Å; D717-K719 VanDerWaalsContact CG-CD 3.49Å; D717-K719 PolarHBondContact O-N 3.04Å; D717-K719 WeakPolarHBondContact OD1-CB 3.35Å; D717-K719 WeakPolarHBondContact OD1-CD 3.2Å; D717-K719 VanDerWaalsContact OD1-CG 3.23Å; D717-K719 WeakPolarHBondContact OD1-CG 3.37Å; D717-K719 PolarHBondContact OD1-N 3.02Å; D717-K719 WeakPolarHBondContact OD2-CD 3.43Å; D717-K719 WeakPolarHBondContact OD2-CE 3.38Å; D717-K719 IonicContact OD2-NZ 2.73Å; D717-K719 PolarHBondContact OD2-NZ 3.27Å; D717-F720 HydrophobicContact CB-CD2 4.18Å; D717-F720 PolarHBondContact O-N 3.15Å
718P82.4Confident88.1Confident82 Ų8271.1 Ų71.153%0.53236%0.36SS..G310 helixtrans-57.4-12.5-177.7-28.136.5000116.2F720 D721 K784P718-F720 PolarHBondContact O-N 3.16Å; P718-D721 VanDerWaalsContact CA-OD2 3.28Å; P718-D721 WeakPolarHBondContact CA-OD2 3.45Å; P718-K784 PolarHBondContact O-NZ 2.69Å
719K82.3Confident88.1Confident119 Ų11972.4 Ų72.452%0.51736%0.36SS..G310 helixtrans-68.2-13.4170.480.7-162175.1-148.90113.9D717 H722D717-K719 HydrophobicContact CB-CD 4.47Å; D717-K719 HydrophobicContact CB-CG 4.28Å; D717-K719 VanDerWaalsContact CG-CD 3.49Å; D717-K719 PolarHBondContact O-N 3.04Å; D717-K719 WeakPolarHBondContact OD1-CB 3.35Å; D717-K719 WeakPolarHBondContact OD1-CD 3.2Å; D717-K719 VanDerWaalsContact OD1-CG 3.23Å; D717-K719 WeakPolarHBondContact OD1-CG 3.37Å; D717-K719 PolarHBondContact OD1-N 3.02Å; D717-K719 WeakPolarHBondContact OD2-CD 3.43Å; D717-K719 WeakPolarHBondContact OD2-CE 3.38Å; D717-K719 IonicContact OD2-NZ 2.73Å; D717-K719 PolarHBondContact OD2-NZ 3.27Å; K719-H722 PolarHBondContact O-CE1 3.18Å
720F84.6Confident88Confident23 Ų2376.5 Ų76.510%0.10138%0.378CS..G310 helixtrans-113.14.9179.4-57.1-51.8000114.1A712 D717 P718 H722 I723 K728 M780A712-F720 HydrophobicContact CB-CE1 4.47Å; A712-F720 HydrophobicContact CB-CE2 3.91Å; A712-F720 HydrophobicContact CB-CZ 3.68Å; A712-F720 VanDerWaalsContact O-CD2 3.26Å; A712-F720 WeakPolarHBondContact O-CD2 3.22Å; A712-F720 WeakPolarHBondContact O-CE2 3.28Å; D717-F720 HydrophobicContact CB-CD2 4.18Å; D717-F720 PolarHBondContact O-N 3.15Å; P718-F720 PolarHBondContact O-N 3.16Å; F720-H722 PolarHBondContact O-N 2.93Å; F720-I723 HydrophobicContact CB-CD1 4.37Å; F720-I723 HydrophobicContact CD1-CD1 3.86Å; F720-I723 PolarHBondContact O-N 3.22Å; F720-K728 WeakPolarHBondContact O-CE 3.25Å; F720-K728 PolarHBondContact O-NZ 3.13Å; F720-M780 HydrophobicContact CD1-CE 3.69Å; F720-M780 HydrophobicContact CD2-CE 4.49Å; F720-M780 HydrophobicContact CE1-CE 3.79Å; F720-M780 HydrophobicContact CG-CE 4.06Å; F720-M780 HydrophobicContact CZ-CE 4.24Å
721D82.2Confident88Confident104 Ų10474.7 Ų74.756%0.55637%0.371SS*.THydrogen-bonded Turntrans-62.9-26.5-176.2-69.4-19.9000114.2P718P718-D721 VanDerWaalsContact CA-OD2 3.28Å; P718-D721 WeakPolarHBondContact CA-OD2 3.45Å
722H84.2Confident88Confident36 Ų3671.2 Ų71.217%0.16735%0.352CS..THydrogen-bonded Turntrans-92.43.9-176.464.4-89.4000114.1K719 F720 K782 K784 P785K719-H722 PolarHBondContact O-CE1 3.18Å; F720-H722 PolarHBondContact O-N 2.93Å; H722-K782 PolarHBondContact NE2-O 2.95Å; H722-K784 HydrophobicContact CB-CG 4.08Å; H722-K784 WeakPolarHBondContact ND1-CD 3.36Å; H722-K784 WeakPolarHBondContact ND1-CG 3.41Å; H722-P785 HydrophobicContact CB-CG 4.44Å
723I84.9Confident88.2Confident5 Ų574.1 Ų74.13%0.02637%0.365CS..SBendtrans-95.4120.6174.8-55.6171.6000106.9F720 E727 K728 I779 M780F720-I723 HydrophobicContact CB-CD1 4.37Å; F720-I723 HydrophobicContact CD1-CD1 3.86Å; F720-I723 PolarHBondContact O-N 3.22Å; I723-E727 HydrophobicContact CG2-CB 3.93Å; I723-K728 HydrophobicContact CB-CG 4.37Å; I723-K728 HydrophobicContact CG2-CG 3.91Å; I723-K728 WeakPolarHBondContact O-CE 3.45Å; I723-I779 WeakPolarHBondContact CD1-O 3.46Å; I723-I779 HydrophobicContact CG2-CG2 3.93Å; I723-M780 HydrophobicContact CD1-CE 3.97Å; I723-M780 HydrophobicContact CD1-SD 4.32Å
724E85.8Confident88.5Confident130 Ų13075.2 Ų75.261%0.60737%0.369SS*.  trans-60.3146.4-173.7-68.1-62.616500111.7E726 E727 K728E724-E726 PolarHBondContact O-N 3.04Å; E724-E726 VanDerWaalsContact O-N 3.17Å; E724-E727 HydrophobicContact CB-CG 4.26Å; E724-E727 WeakPolarHBondContact O-CA 3.47Å; E724-E727 WeakPolarHBondContact O-CB 3.43Å; E724-E727 PolarHBondContact O-N 3.05Å; E724-K728 PolarHBondContact O-N 2.7Å
725M86Confident88.8Confident137 Ų13770 Ų7068%0.67534%0.342SS*.Hα-helixtrans-58.8-33.5-177.9-167.266.6-178.600111.9K728 Q729M725-K728 PolarHBondContact O-N 3.05Å; M725-Q729 WeakPolarHBondContact O-CB 3.32Å; M725-Q729 PolarHBondContact O-N 2.88Å
726E88.8Confident89.1Confident149 Ų14969.9 Ų69.970%0.69634%0.341SS*.Hα-helixtrans-67.3-31.8173.9-60.4-174.9177.700113.5E724 K730E724-E726 PolarHBondContact O-N 3.04Å; E724-E726 VanDerWaalsContact O-N 3.17Å; E726-K730 WeakPolarHBondContact O-CG 3.47Å; E726-K730 PolarHBondContact O-N 3.13Å
727E90.7Very high89.7Confident42 Ų4266.1 Ų66.120%0.19633%0.326CS..Hα-helixtrans-75.4-42.3175.3-68-176.2132.100110.8I723 E724 Q729 K730 V731 I779 K782I723-E727 HydrophobicContact CG2-CB 3.93Å; E724-E727 HydrophobicContact CB-CG 4.26Å; E724-E727 WeakPolarHBondContact O-CA 3.47Å; E724-E727 WeakPolarHBondContact O-CB 3.43Å; E724-E727 PolarHBondContact O-N 3.05Å; E727-Q729 VanDerWaalsContact C-N 3.31Å; E727-Q729 PolarHBondContact O-N 2.93Å; E727-K730 WeakPolarHBondContact O-CB 3.07Å; E727-K730 PolarHBondContact O-N 3.18Å; E727-V731 PolarHBondContact O-N 2.9Å; E727-I779 HydrophobicContact CB-CG2 3.81Å; E727-K782 IonicContact OE1-NZ 2.76Å; E727-K782 PolarHBondContact OE1-NZ 3.48Å; E727-K782 IonicContact OE2-NZ 2.99Å; E727-K782 PolarHBondContact OE2-NZ 2.94Å
728K90.5Very high90.3Very high24 Ų2463.4 Ų63.410%0.10431%0.312CS..Hα-helixtrans-59-41.3171.6-66.8-178.4177.7-174.80111.8A713 F720 I723 E724 M725 K730 V731 I732A713-K728 HydrophobicContact CB-CB 4.38Å; F720-K728 WeakPolarHBondContact O-CE 3.25Å; F720-K728 PolarHBondContact O-NZ 3.13Å; I723-K728 HydrophobicContact CB-CG 4.37Å; I723-K728 HydrophobicContact CG2-CG 3.91Å; I723-K728 WeakPolarHBondContact O-CE 3.45Å; E724-K728 PolarHBondContact O-N 2.7Å; M725-K728 PolarHBondContact O-N 3.05Å; K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 3.16Å; K728-V731 WeakPolarHBondContact O-CB 3.34Å; K728-V731 PolarHBondContact O-N 3.46Å; K728-I732 WeakPolarHBondContact O-CG1 3.37Å; K728-I732 PolarHBondContact O-N 3.04Å
729Q93.6Very high91Very high82 Ų8263.5 Ų63.538%0.38331%0.305SS..Hα-helixtrans-64.9-34.4177.8-168.160.758.800112.7M725 E727 V731 I732 N733M725-Q729 WeakPolarHBondContact O-CB 3.32Å; M725-Q729 PolarHBondContact O-N 2.88Å; E727-Q729 VanDerWaalsContact C-N 3.31Å; E727-Q729 PolarHBondContact O-N 2.93Å; Q729-V731 VanDerWaalsContact C-N 3.34Å; Q729-V731 PolarHBondContact O-N 3.36Å; Q729-I732 PolarHBondContact O-N 3.11Å; Q729-N733 PolarHBondContact NE2-OD1 3.23Å; Q729-N733 WeakPolarHBondContact O-CB 3.45Å; Q729-N733 PolarHBondContact O-N 3.04Å; Q729-N733 PolarHBondContact O-OD1 2.95Å; Q729-N733 VanDerWaalsContact O-OD1 3.12Å
730K94Very high91.7Very high106 Ų10660.6 Ų60.646%0.46130%0.297SS..Hα-helixtrans-62.3-40.7173-70.1162.5-166.5165.50111.7E726 E727 K728 N733 Q734 F775E726-K730 WeakPolarHBondContact O-CG 3.47Å; E726-K730 PolarHBondContact O-N 3.13Å; E727-K730 WeakPolarHBondContact O-CB 3.07Å; E727-K730 PolarHBondContact O-N 3.18Å; K728-K730 VanDerWaalsContact C-N 3.33Å; K728-K730 PolarHBondContact O-N 3.16Å; K730-N733 PolarHBondContact O-N 2.79Å; K730-Q734 WeakPolarHBondContact O-CB 3.41Å; K730-Q734 PolarHBondContact O-N 3.46Å; K730-F775 HydrophobicContact CB-CE1 4.28Å; K730-F775 HydrophobicContact CB-CZ 4.39Å
731V94.6Very high92.2Very high0 Ų062.8 Ų62.80%031%0.305CS..Hα-helixtrans-63.9-47.9174.9174.70000111F709 A713 E727 K728 Q729 N733 Q734 C735 C776 I779 M780F709-V731 HydrophobicContact CB-CG1 3.98Å; A713-V731 HydrophobicContact CB-CB 4.18Å; A713-V731 HydrophobicContact CB-CG1 3.94Å; E727-V731 PolarHBondContact O-N 2.9Å; K728-V731 WeakPolarHBondContact O-CB 3.34Å; K728-V731 PolarHBondContact O-N 3.46Å; Q729-V731 VanDerWaalsContact C-N 3.34Å; Q729-V731 PolarHBondContact O-N 3.36Å; V731-N733 VanDerWaalsContact C-N 3.31Å; V731-N733 PolarHBondContact O-N 3.48Å; V731-Q734 PolarHBondContact O-N 3.35Å; V731-C735 PolarHBondContact O-N 2.83Å; V731-C735 PolarHBondContact O-SG 2.96Å; V731-C735 VanDerWaalsContact O-SG 3.41Å; V731-C776 HydrophobicContact CG1-CB 3.99Å; V731-C776 HydrophobicContact CG2-CB 4.3Å; V731-I779 HydrophobicContact CG2-CB 3.91Å; V731-I779 HydrophobicContact CG2-CD1 3.84Å; V731-I779 HydrophobicContact CG2-CG1 4.48Å; V731-I779 HydrophobicContact CG2-CG2 3.74Å; V731-M780 HydrophobicContact CB-SD 4.47Å; V731-M780 HydrophobicContact CG1-CG 4.19Å; V731-M780 HydrophobicContact CG1-SD 4.41Å; V731-M780 HydrophobicContact CG2-CG 4.08Å; V731-M780 HydrophobicContact CG2-SD 4.03Å
732I94.6Very high92.9Very high27 Ų2758.5 Ų58.514%0.13828%0.282CS..Hα-helixtrans-58.9-42.1177.6-66.7163.5000111.5A713 L714 K728 Q729 S736A713-I732 HydrophobicContact CB-CD1 4.19Å; A713-I732 HydrophobicContact CB-CG1 3.76Å; L714-I732 HydrophobicContact CD2-CD1 3.67Å; L714-I732 HydrophobicContact CD2-CG1 4.45Å; L714-I732 HydrophobicContact CG-CD1 4.16Å; L714-I732 HydrophobicContact CG-CG1 4.49Å; K728-I732 WeakPolarHBondContact O-CG1 3.37Å; K728-I732 PolarHBondContact O-N 3.04Å; Q729-I732 PolarHBondContact O-N 3.11Å; I732-S736 WeakPolarHBondContact O-CB 3.48Å; I732-S736 PolarHBondContact O-N 3.41Å; I732-S736 VanDerWaalsContact O-N 3.08Å; I732-S736 PolarHBondContact O-OG 3.24Å
733N95Very high93.5Very high80 Ų8064.3 Ų64.343%0.42830%0.302SS..Hα-helixtrans-63.1-49.1175.7-68.85.6000110.8Q729 K730 V731 C735 S736 E737Q729-N733 PolarHBondContact NE2-OD1 3.23Å; Q729-N733 WeakPolarHBondContact O-CB 3.45Å; Q729-N733 PolarHBondContact O-N 3.04Å; Q729-N733 PolarHBondContact O-OD1 2.95Å; Q729-N733 VanDerWaalsContact O-OD1 3.12Å; K730-N733 PolarHBondContact O-N 2.79Å; V731-N733 VanDerWaalsContact C-N 3.31Å; V731-N733 PolarHBondContact O-N 3.48Å; N733-C735 PolarHBondContact O-N 3.16Å; N733-S736 PolarHBondContact O-N 2.92Å; N733-E737 PolarHBondContact O-N 2.88Å
734Q96Very high94Very high30 Ų3068.3 Ų68.314%0.1432%0.321CS..Hα-helixtrans-63.1-39.6-178.5-174.163.69800112.7K730 V731 S736 E737 A738 F775K730-Q734 WeakPolarHBondContact O-CB 3.41Å; K730-Q734 PolarHBondContact O-N 3.46Å; V731-Q734 PolarHBondContact O-N 3.35Å; Q734-S736 VanDerWaalsContact C-N 3.32Å; Q734-E737 PolarHBondContact NE2-OE2 2.91Å; Q734-A738 WeakPolarHBondContact O-CB 3.48Å; Q734-A738 PolarHBondContact O-N 3.01Å; Q734-F775 HydrophobicContact CB-CD1 3.72Å; Q734-F775 HydrophobicContact CB-CE1 3.78Å; Q734-F775 HydrophobicContact CG-CB 4.28Å; Q734-F775 HydrophobicContact CG-CD1 3.67Å; Q734-F775 HydrophobicContact CG-CE1 4.17Å; Q734-F775 HydrophobicContact CG-CG 3.99Å
735C96.5Very high94.5Very high0 Ų064.5 Ų64.50%030%0.302CS..Hα-helixtrans-60.2-41.6172.2-73.50000111.8I706 R710 V731 N733 A738 E739I706-C735 HydrophobicContact CG2-CB 3.98Å; I706-C735 PolarHBondContact O-SG 3.47Å; R710-C735 HydrophobicContact CB-CB 4.24Å; V731-C735 PolarHBondContact O-N 2.83Å; V731-C735 PolarHBondContact O-SG 2.96Å; V731-C735 VanDerWaalsContact O-SG 3.41Å; N733-C735 PolarHBondContact O-N 3.16Å; C735-A738 PolarHBondContact O-N 2.72Å; C735-E739 WeakPolarHBondContact O-CB 3.23Å; C735-E739 PolarHBondContact O-N 3.33Å
736S96.4Very high95Very high40 Ų4060.1 Ų60.128%0.2828%0.281SS..Hα-helixtrans-73.1-36.4-178.1-52.30000112.5R710 I732 N733 Q734 A738 E739 V740R710-S736 PolarHBondContact NH2-OG 3.03Å; I732-S736 WeakPolarHBondContact O-CB 3.48Å; I732-S736 PolarHBondContact O-N 3.41Å; I732-S736 VanDerWaalsContact O-N 3.08Å; I732-S736 PolarHBondContact O-OG 3.24Å; N733-S736 PolarHBondContact O-N 2.92Å; Q734-S736 VanDerWaalsContact C-N 3.32Å; S736-A738 VanDerWaalsContact C-N 3.32Å; S736-A738 PolarHBondContact O-N 3.39Å; S736-E739 PolarHBondContact O-N 2.64Å; S736-V740 WeakPolarHBondContact O-CG2 3.41Å; S736-V740 PolarHBondContact O-N 2.8Å
737E95.9Very high95.4Very high116 Ų11659.6 Ų59.654%0.54228%0.279SS..Hα-helixtrans-62-38.9168.8-71.9172.6-165.800112.3N733 Q734 W741N733-E737 PolarHBondContact O-N 2.88Å; Q734-E737 PolarHBondContact NE2-OE2 2.91Å; E737-W741 VanDerWaalsContact O-CB 3.32Å; E737-W741 WeakPolarHBondContact O-CB 3.08Å; E737-W741 PolarHBondContact O-N 2.84Å; E737-W741 VanDerWaalsContact O-N 3.08Å
738A96.6Very high95.6Very high0 Ų061.8 Ų61.80%029%0.289CS..Hα-helixtrans-70.4-38.1178.100000112.4I706 Q734 C735 S736 L742 V772I706-A738 HydrophobicContact CD1-CB 3.71Å; I706-A738 HydrophobicContact CG1-CB 3.89Å; Q734-A738 WeakPolarHBondContact O-CB 3.48Å; Q734-A738 PolarHBondContact O-N 3.01Å; C735-A738 PolarHBondContact O-N 2.72Å; S736-A738 VanDerWaalsContact C-N 3.32Å; S736-A738 PolarHBondContact O-N 3.39Å; A738-L742 VanDerWaalsContact O-CB 3.29Å; A738-L742 WeakPolarHBondContact O-CB 3.31Å; A738-L742 PolarHBondContact O-N 3.15Å; A738-V772 HydrophobicContact CB-CG2 3.57Å
739E96.9Very high95.8Very high83 Ų8361.3 Ų61.339%0.38829%0.287SS..Hα-helixtrans-66.8-44.4174.9-178.2179.7-123.900112.3I706 R710 C735 S736 L742 R743I706-E739 HydrophobicContact CG2-CB 4.34Å; R710-E739 IonicContact CZ-OE1 3.2Å; R710-E739 IonicContact CZ-OE2 3.76Å; R710-E739 IonicContact NH1-OE1 2.81Å; R710-E739 PolarHBondContact NH1-OE1 3.31Å; R710-E739 IonicContact NH1-OE2 2.74Å; R710-E739 PolarHBondContact NH1-OE2 3.05Å; R710-E739 VanDerWaalsContact NH1-OE2 3.1Å; R710-E739 IonicContact NH2-OE1 3.56Å; R710-E739 IonicContact NH2-OE2 3.91Å; R710-E739 PolarHBondContact NH2-OE2 2.92Å; C735-E739 WeakPolarHBondContact O-CB 3.23Å; C735-E739 PolarHBondContact O-N 3.33Å; S736-E739 PolarHBondContact O-N 2.64Å; E739-L742 PolarHBondContact O-N 2.63Å; E739-R743 WeakPolarHBondContact O-CB 3.38Å; E739-R743 PolarHBondContact O-N 2.83Å
740V96.8Very high95.9Very high59 Ų5963.4 Ų63.436%0.35830%0.301SS..Hα-helixtrans-60.7-48.2175168.80000110.5S736 L742 R743 E744S736-V740 WeakPolarHBondContact O-CG2 3.41Å; S736-V740 PolarHBondContact O-N 2.8Å; V740-L742 VanDerWaalsContact C-N 3.33Å; V740-L742 PolarHBondContact O-N 2.85Å; V740-R743 PolarHBondContact O-N 2.78Å; V740-E744 HydrophobicContact CG1-CG 4.48Å; V740-E744 WeakPolarHBondContact CG1-OE1 3.4Å; V740-E744 WeakPolarHBondContact O-CB 3.26Å; V740-E744 WeakPolarHBondContact O-CG 3.46Å; V740-E744 PolarHBondContact O-N 2.73Å
741W96.8Very high95.9Very high69 Ų6962.3 Ų62.326%0.26131%0.312SS..Hα-helixtrans-58.1-43.4175.5176.190.2000112.3L702 E737 K745 L760 L765 K768L702-W741 HydrophobicContact CD2-CE3 4.39Å; L702-W741 HydrophobicContact CD2-CZ3 3.89Å; E737-W741 VanDerWaalsContact O-CB 3.32Å; E737-W741 WeakPolarHBondContact O-CB 3.08Å; E737-W741 PolarHBondContact O-N 2.84Å; E737-W741 VanDerWaalsContact O-N 3.08Å; W741-K745 HydrophobicContact CD2-CG 4.27Å; W741-K745 HydrophobicContact CH2-CG 4.47Å; W741-K745 HydrophobicContact CZ2-CG 4.02Å; W741-K745 VanDerWaalsContact O-CB 3.3Å; W741-K745 WeakPolarHBondContact O-CB 2.68Å; W741-K745 WeakPolarHBondContact O-CG 3.2Å; W741-K745 PolarHBondContact O-N 2.9Å; W741-L760 HydrophobicContact CH2-CD1 4.07Å; W741-L765 HydrophobicContact CZ3-CD2 4.3Å; W741-K768 HydrophobicContact CD2-CD 4.04Å; W741-K768 HydrophobicContact CD2-CG 4.33Å; W741-K768 HydrophobicContact CE3-CB 4.4Å; W741-K768 HydrophobicContact CE3-CD 3.92Å; W741-K768 HydrophobicContact CE3-CG 3.69Å; W741-K768 HydrophobicContact CH2-CB 4.01Å; W741-K768 HydrophobicContact CH2-CG 4.19Å; W741-K768 HydrophobicContact CZ3-CB 3.83Å; W741-K768 HydrophobicContact CZ3-CD 4.19Å; W741-K768 HydrophobicContact CZ3-CG 3.62Å
742L96.8Very high96Very high13 Ų1365.3 Ų65.37%0.06833%0.327CS..Hα-helixtrans-63.6-48179.2176.454.9000111I699 L702 I706 A738 E739 V740 E744 K745 I746 L765I699-L742 HydrophobicContact CG1-CD1 4.29Å; I699-L742 HydrophobicContact CG2-CD1 4.37Å; I699-L742 HydrophobicContact CG2-CD2 4.47Å; L702-L742 HydrophobicContact CD2-CB 4.36Å; L702-L742 HydrophobicContact CD2-CD1 4.01Å; L702-L742 HydrophobicContact CD2-CD2 4.02Å; L702-L742 HydrophobicContact CD2-CG 4.36Å; L702-L742 HydrophobicContact CG-CD2 4.11Å; I706-L742 HydrophobicContact CD1-CD2 4.38Å; A738-L742 VanDerWaalsContact O-CB 3.29Å; A738-L742 WeakPolarHBondContact O-CB 3.31Å; A738-L742 PolarHBondContact O-N 3.15Å; E739-L742 PolarHBondContact O-N 2.63Å; V740-L742 VanDerWaalsContact C-N 3.33Å; V740-L742 PolarHBondContact O-N 2.85Å; L742-E744 PolarHBondContact O-N 3.16Å; L742-K745 PolarHBondContact O-N 2.9Å; L742-I746 HydrophobicContact CD1-CD1 3.71Å; L742-I746 HydrophobicContact CD1-CG1 4.06Å; L742-I746 HydrophobicContact CG-CD1 3.85Å; L742-I746 VanDerWaalsContact O-CG1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.47Å; L742-I746 PolarHBondContact O-N 3.34Å; L742-L765 HydrophobicContact CD1-CD2 3.56Å
743R96.4Very high96Very high158 Ų15867.1 Ų67.160%0.59634%0.341SS*.Hα-helixtrans-61.7-44.2178.1-173.9-170.765.7173.7-0.6112E739 V740 K745 I746 Q747E739-R743 WeakPolarHBondContact O-CB 3.38Å; E739-R743 PolarHBondContact O-N 2.83Å; V740-R743 PolarHBondContact O-N 2.78Å; R743-K745 VanDerWaalsContact C-N 3.32Å; R743-K745 PolarHBondContact O-N 3.35Å; R743-I746 PolarHBondContact O-N 3.15Å; R743-Q747 WeakPolarHBondContact O-CB 3.35Å; R743-Q747 PolarHBondContact O-N 3.15Å
744E96.2Very high96Very high89 Ų8967.2 Ų67.242%0.41634%0.337SS..Hα-helixtrans-62.1-39.7175.3-75.2174.8-17200111.9V740 L742 Q747 Q748V740-E744 HydrophobicContact CG1-CG 4.48Å; V740-E744 WeakPolarHBondContact CG1-OE1 3.4Å; V740-E744 WeakPolarHBondContact O-CB 3.26Å; V740-E744 WeakPolarHBondContact O-CG 3.46Å; V740-E744 PolarHBondContact O-N 2.73Å; L742-E744 PolarHBondContact O-N 3.16Å; E744-Q747 PolarHBondContact O-N 2.93Å; E744-Q748 WeakPolarHBondContact O-CB 3.47Å; E744-Q748 VanDerWaalsContact O-CG 3.22Å; E744-Q748 WeakPolarHBondContact O-CG 3.49Å; E744-Q748 PolarHBondContact O-N 3.09Å
745K96.2Very high95.9Very high50 Ų5069.1 Ų69.122%0.21735%0.346CS..Hα-helixtrans-73-35.7179.2-84.2-75.4166-161.40113.7W741 L742 R743 Q748 Q749 V759 L760W741-K745 HydrophobicContact CD2-CG 4.27Å; W741-K745 HydrophobicContact CH2-CG 4.47Å; W741-K745 HydrophobicContact CZ2-CG 4.02Å; W741-K745 VanDerWaalsContact O-CB 3.3Å; W741-K745 WeakPolarHBondContact O-CB 2.68Å; W741-K745 WeakPolarHBondContact O-CG 3.2Å; W741-K745 PolarHBondContact O-N 2.9Å; L742-K745 PolarHBondContact O-N 2.9Å; R743-K745 VanDerWaalsContact C-N 3.32Å; R743-K745 PolarHBondContact O-N 3.35Å; K745-Q748 VanDerWaalsContact CE-OE1 3.27Å; K745-Q748 PolarHBondContact O-N 3.2Å; K745-Q749 WeakPolarHBondContact O-CB 3.11Å; K745-Q749 PolarHBondContact O-N 3.1Å; K745-Q749 VanDerWaalsContact O-N 3.07Å; K745-V759 PolarHBondContact NZ-O 3.18Å; K745-L760 HydrophobicContact CB-CB 4.38Å; K745-L760 HydrophobicContact CB-CD1 3.91Å; K745-L760 HydrophobicContact CB-CD2 4.02Å; K745-L760 HydrophobicContact CB-CG 4.31Å; K745-L760 HydrophobicContact CD-CD1 4.46Å; K745-L760 HydrophobicContact CG-CD1 4.4Å
746I96.2Very high95.8Very high45 Ų4570.3 Ų70.323%0.23136%0.356CS..Hα-helixtrans-62.1-50.2169.7-71.1167.3000109.2I699 L742 R743 Q748 Q749 D750 L760I699-I746 HydrophobicContact CD1-CD1 3.96Å; I699-I746 HydrophobicContact CD1-CG1 3.86Å; I699-I746 HydrophobicContact CG1-CD1 4.35Å; I699-I746 HydrophobicContact CG1-CG1 4.48Å; I699-I746 HydrophobicContact CG2-CD1 3.92Å; L742-I746 HydrophobicContact CD1-CD1 3.71Å; L742-I746 HydrophobicContact CD1-CG1 4.06Å; L742-I746 HydrophobicContact CG-CD1 3.85Å; L742-I746 VanDerWaalsContact O-CG1 3.31Å; L742-I746 WeakPolarHBondContact O-CG1 3.47Å; L742-I746 PolarHBondContact O-N 3.34Å; R743-I746 PolarHBondContact O-N 3.15Å; I746-Q748 VanDerWaalsContact C-N 3.3Å; I746-Q748 PolarHBondContact O-N 3.34Å; I746-Q749 CarbonylContact O-C 3.46Å; I746-Q749 WeakPolarHBondContact O-CA 3.48Å; I746-Q749 WeakPolarHBondContact O-CB 3.37Å; I746-Q749 PolarHBondContact O-N 2.72Å; I746-D750 WeakPolarHBondContact CG2-OD2 3.5Å; I746-D750 PolarHBondContact O-N 2.66Å; I746-L760 HydrophobicContact CG1-CD2 3.9Å
747Q95.8Very high95.7Very high139 Ų13973.7 Ų73.765%0.6537%0.371SS*.Hα-helixtrans-60.3-37178.5-170177.514.500113.2R743 E744 Q749 A751R743-Q747 WeakPolarHBondContact O-CB 3.35Å; R743-Q747 PolarHBondContact O-N 3.15Å; E744-Q747 PolarHBondContact O-N 2.93Å; Q747-Q749 VanDerWaalsContact C-N 3.3Å; Q747-A751 WeakPolarHBondContact O-CB 3.2Å; Q747-A751 PolarHBondContact O-N 3.37Å
748Q95.7Very high95.6Very high87 Ų8769.8 Ų69.841%0.40736%0.356SS..Hα-helixtrans-66.3-30.7172.7-74.7166.129.100112.9E744 K745 I746 V759E744-Q748 WeakPolarHBondContact O-CB 3.47Å; E744-Q748 VanDerWaalsContact O-CG 3.22Å; E744-Q748 WeakPolarHBondContact O-CG 3.49Å; E744-Q748 PolarHBondContact O-N 3.09Å; K745-Q748 VanDerWaalsContact CE-OE1 3.27Å; K745-Q748 PolarHBondContact O-N 3.2Å; I746-Q748 VanDerWaalsContact C-N 3.3Å; I746-Q748 PolarHBondContact O-N 3.34Å; Q748-V759 HydrophobicContact CB-CG2 4.02Å; Q748-V759 WeakPolarHBondContact O-CG2 3.28Å
749Q95.5Very high95.6Very high15 Ų1572.5 Ų72.57%0.0737%0.372CS..Hα-helixtrans-84.3-38.2-179.2-178.556.678.900112.6K745 I746 Q747 A751 L752 V759 L760K745-Q749 WeakPolarHBondContact O-CB 3.11Å; K745-Q749 PolarHBondContact O-N 3.1Å; K745-Q749 VanDerWaalsContact O-N 3.07Å; I746-Q749 CarbonylContact O-C 3.46Å; I746-Q749 WeakPolarHBondContact O-CA 3.48Å; I746-Q749 WeakPolarHBondContact O-CB 3.37Å; I746-Q749 PolarHBondContact O-N 2.72Å; Q747-Q749 VanDerWaalsContact C-N 3.3Å; Q749-A751 PolarHBondContact O-N 3.48Å; Q749-L752 PolarHBondContact O-N 3.04Å; Q749-L752 VanDerWaalsContact O-N 3.17Å; Q749-V759 HydrophobicContact CB-CG2 4.23Å; Q749-L760 HydrophobicContact CB-CB 4.07Å; Q749-L760 HydrophobicContact CG-CB 4.35Å
750D94.4Very high95.5Very high125 Ų12568.6 Ų68.667%0.66835%0.354SS*.Hα-helixtrans-71.3-21.9178.5-64.1-17.3000112.2I746 L752I746-D750 WeakPolarHBondContact CG2-OD2 3.5Å; I746-D750 PolarHBondContact O-N 2.66Å; D750-L752 PolarHBondContact O-N 3.2Å
751A95.4Very high95.5Very high83 Ų8368.6 Ų68.669%0.68635%0.352SS*.THydrogen-bonded Turntrans-74.1-4.1171.600000114Q747 Q749Q747-A751 WeakPolarHBondContact O-CB 3.2Å; Q747-A751 PolarHBondContact O-N 3.37Å; Q749-A751 PolarHBondContact O-N 3.48Å
752L95Very high95.4Very high63 Ų6366 Ų6633%0.3335%0.345SS..SBendtrans-111.5140-179.4-64.1176.3000111.5Q749 D750 A756 V759Q749-L752 PolarHBondContact O-N 3.04Å; Q749-L752 VanDerWaalsContact O-N 3.17Å; D750-L752 PolarHBondContact O-N 3.2Å; L752-A756 HydrophobicContact CB-CB 4.09Å; L752-V759 HydrophobicContact CD1-CB 4.27Å; L752-V759 HydrophobicContact CD1-CG1 3.6Å; L752-V759 HydrophobicContact CD1-CG2 3.72Å
753P94.7Very high95.4Very high65 Ų6567.9 Ų67.942%0.42236%0.359SS..  trans-67153.9173.230-35.1000111.1H755 A756P753-H755 VanDerWaalsContact CG-NE2 3.34Å; P753-H755 WeakPolarHBondContact CG-NE2 3.21Å; P753-H755 PolarHBondContact O-N 3.31Å; P753-A756 HydrophobicContact CG-CB 4.09Å; P753-A756 WeakPolarHBondContact O-CB 3.27Å; P753-A756 PolarHBondContact O-N 2.69Å
754K95.1Very high95.3Very high82 Ų8263 Ų6336%0.35734%0.344SS..THydrogen-bonded Turntrans-54.3-26.8-180-78.8175.5173.4-174.50114.4D638 F639D638-K754 HydrophobicContact CB-CB 4.15Å; D638-K754 HydrophobicContact CB-CD 3.44Å; D638-K754 VanDerWaalsContact CB-CD 3.44Å; D638-K754 HydrophobicContact CB-CG 4.48Å; D638-K754 CarbonylContact O-C 3.54Å; D638-K754 WeakPolarHBondContact O-CB 3.01Å; D638-K754 IonicContact OD2-NZ 2.69Å; D638-K754 PolarHBondContact OD2-NZ 3.49Å; F639-K754 HydrophobicContact CD1-CB 3.9Å; F639-K754 HydrophobicContact CD1-CG 4.48Å; F639-K754 WeakPolarHBondContact CD1-O 3.18Å; F639-K754 HydrophobicContact CE1-CB 3.86Å; F639-K754 HydrophobicContact CE1-CD 4.03Å; F639-K754 HydrophobicContact CE1-CG 3.92Å; F639-K754 HydrophobicContact CE2-CD 4.33Å; F639-K754 HydrophobicContact CZ-CB 4.45Å; F639-K754 HydrophobicContact CZ-CD 3.83Å; F639-K754 HydrophobicContact CZ-CG 4.25Å
755H94.9Very high95.4Very high70 Ų7058.9 Ų58.932%0.32433%0.325SS..THydrogen-bonded Turntrans-85.5-4.2176.258.7-116.4000115D638 F639 R688 P753D638-H755 PolarHBondContact O-N 3.06Å; F639-H755 VanDerWaalsContact C-CB 3.47Å; F639-H755 WeakPolarHBondContact O-CA 3.47Å; R688-H755 PolarHBondContact NE-O 2.74Å; R688-H755 VanDerWaalsContact NE-O 3.16Å; R688-H755 PolarHBondContact NH1-O 3.34Å; R688-H755 VanDerWaalsContact NH1-O 3.13Å; R688-H755 PolarHBondContact NH2-O 3.03Å; P753-H755 VanDerWaalsContact CG-NE2 3.34Å; P753-H755 WeakPolarHBondContact CG-NE2 3.21Å; P753-H755 PolarHBondContact O-N 3.31Å
756A94.7Very high95.3Very high26 Ų2660.6 Ų60.622%0.21533%0.333CS..SBendtrans-75.9159.8169.400000110.9L752 P753L752-A756 HydrophobicContact CB-CB 4.09Å; P753-A756 HydrophobicContact CG-CB 4.09Å; P753-A756 WeakPolarHBondContact O-CB 3.27Å; P753-A756 PolarHBondContact O-N 2.69Å
757N93.9Very high95.3Very high111 Ų11163.4 Ų63.459%0.59434%0.343SS*.PPolyproline II helixtrans-72.2129.9171.7-66.7-5.2000109.4R688R688-N757 PolarHBondContact NE-OD1 2.98Å; R688-N757 VanDerWaalsContact NE-OD1 3.13Å; R688-N757 PolarHBondContact NH2-OD1 2.6Å
758P94.5Very high95.4Very high33 Ų3358.8 Ų58.821%0.21432%0.321CS..PPolyproline II helixtrans-68.2144.3-174.224.3-32.3000113.2E691 L761E691-P758 HydrophobicContact CB-CG 4.32Å; E691-P758 HydrophobicContact CG-CB 4.05Å; E691-P758 HydrophobicContact CG-CG 3.54Å; P758-L761 HydrophobicContact CB-CD2 4.16Å; P758-L761 HydrophobicContact CG-CD2 3.79Å
759V94.7Very high95.4Very high58 Ų5855.2 Ų55.235%0.35231%0.306SS..SBendtrans-110.3-3.2-178-62.30000113.6K745 Q748 Q749 L752K745-V759 PolarHBondContact NZ-O 3.18Å; Q748-V759 HydrophobicContact CB-CG2 4.02Å; Q748-V759 WeakPolarHBondContact O-CG2 3.28Å; Q749-V759 HydrophobicContact CB-CG2 4.23Å; L752-V759 HydrophobicContact CD1-CB 4.27Å; L752-V759 HydrophobicContact CD1-CG1 3.6Å; L752-V759 HydrophobicContact CD1-CG2 3.72Å
760L95.3Very high95.4Very high1 Ų160.4 Ų60.41%0.00533%0.331CS..SBendtrans-126.6104.7166.817555.4000107.8E691 R695 I699 W741 K745 I746 Q749 L765E691-L760 VanDerWaalsContact OE1-O 3.1Å; R695-L760 PolarHBondContact NE-O 3.29Å; I699-L760 HydrophobicContact CD1-CD2 4.35Å; I699-L760 HydrophobicContact CG1-CD2 4.49Å; W741-L760 HydrophobicContact CH2-CD1 4.07Å; K745-L760 HydrophobicContact CB-CB 4.38Å; K745-L760 HydrophobicContact CB-CD1 3.91Å; K745-L760 HydrophobicContact CB-CD2 4.02Å; K745-L760 HydrophobicContact CB-CG 4.31Å; K745-L760 HydrophobicContact CD-CD1 4.46Å; K745-L760 HydrophobicContact CG-CD1 4.4Å; I746-L760 HydrophobicContact CG1-CD2 3.9Å; Q749-L760 HydrophobicContact CB-CB 4.07Å; Q749-L760 HydrophobicContact CG-CB 4.35Å; L760-L765 HydrophobicContact CD1-CD1 4.1Å; L760-L765 HydrophobicContact CD1-CD2 3.82Å; L760-L765 HydrophobicContact CD1-CG 3.66Å; L760-L765 HydrophobicContact CD2-CD1 4.32Å; L760-L765 HydrophobicContact CD2-CD2 4.31Å; L760-L765 HydrophobicContact CG-CD1 4.05Å; L760-L765 HydrophobicContact CG-CD2 4.39Å; L760-L765 HydrophobicContact CG-CG 4.18Å
761L96.4Very high95.4Very high59 Ų5957.4 Ų57.431%0.30932%0.316SS..  trans-91.5143.5179.7-55.5179.6000111.5E691 P758 S763 D764 L765E691-L761 HydrophobicContact CG-CD2 3.9Å; E691-L761 WeakPolarHBondContact OE1-CA 3.43Å; P758-L761 HydrophobicContact CB-CD2 4.16Å; P758-L761 HydrophobicContact CG-CD2 3.79Å; L761-S763 PolarHBondContact O-N 3.32Å; L761-D764 HydrophobicContact CB-CB 4.46Å; L761-D764 PolarHBondContact O-N 3.48Å; L761-L765 PolarHBondContact O-N 3.14Å
762S95.8Very high95.5Very high15 Ų1553.5 Ų53.511%0.10528%0.284CS..Hα-helixtrans-48.6-37.4166.558.90000112.8E691 K766E691-S762 VanDerWaalsContact CD-N 3.29Å; E691-S762 PolarHBondContact OE1-N 2.95Å; E691-S762 WeakPolarHBondContact OE2-CB 3.13Å; E691-S762 PolarHBondContact OE2-N 3.23Å; E691-S762 PolarHBondContact OE2-OG 2.84Å; S762-K766 WeakPolarHBondContact O-CG 3.3Å; S762-K766 PolarHBondContact O-N 3.13Å; S762-K766 VanDerWaalsContact O-N 3.12Å
763S95.8Very high95.5Very high52 Ų5252.9 Ų52.936%0.36428%0.281SS..Hα-helixtrans-69.6-29176.581.90000113.8L761 K767L761-S763 PolarHBondContact O-N 3.32Å; S763-K767 WeakPolarHBondContact O-CD 3.22Å; S763-K767 VanDerWaalsContact O-CE 3.27Å; S763-K767 WeakPolarHBondContact O-CE 3.24Å; S763-K767 VanDerWaalsContact O-CG 3.22Å; S763-K767 WeakPolarHBondContact O-CG 3.34Å; S763-K767 PolarHBondContact O-N 3Å; S763-K767 PolarHBondContact OG-NZ 3.19Å
764D95.2Very high95.5Very high56 Ų5659 Ų5930%0.29930%0.296SS..Hα-helixtrans-83.3-33.2178.3-63.3-34.4000111.5L761 K766 K767 K768L761-D764 HydrophobicContact CB-CB 4.46Å; L761-D764 PolarHBondContact O-N 3.48Å; D764-K766 VanDerWaalsContact C-N 3.34Å; D764-K767 IonicContact OD1-NZ 3.98Å; D764-K767 PolarHBondContact OD1-NZ 3.15Å; D764-K768 WeakPolarHBondContact O-CB 3.45Å; D764-K768 PolarHBondContact O-N 3.36Å
765L97Very high95.5Very high1 Ų159.1 Ų59.11%0.00530%0.297CS..Hα-helixtrans-57.7-46.2168-73.7162.8000111.4R695 I699 L702 W741 L742 L760 L761 K768 A769R695-L765 HydrophobicContact CG-CD1 3.83Å; I699-L765 HydrophobicContact CG1-CD1 3.73Å; I699-L765 HydrophobicContact CG1-CD2 4.05Å; L702-L765 HydrophobicContact CD2-CD2 3.71Å; W741-L765 HydrophobicContact CZ3-CD2 4.3Å; L742-L765 HydrophobicContact CD1-CD2 3.56Å; L760-L765 HydrophobicContact CD1-CD1 4.1Å; L760-L765 HydrophobicContact CD1-CD2 3.82Å; L760-L765 HydrophobicContact CD1-CG 3.66Å; L760-L765 HydrophobicContact CD2-CD1 4.32Å; L760-L765 HydrophobicContact CD2-CD2 4.31Å; L760-L765 HydrophobicContact CG-CD1 4.05Å; L760-L765 HydrophobicContact CG-CD2 4.39Å; L760-L765 HydrophobicContact CG-CG 4.18Å; L761-L765 PolarHBondContact O-N 3.14Å; L765-K768 PolarHBondContact O-N 2.93Å; L765-A769 PolarHBondContact O-N 2.77Å
766K95.6Very high95.5Very high87 Ų8755.8 Ų55.838%0.37828%0.281SS..Hα-helixtrans-63.3-50177.4-71.7167-175.5174.70112.1S698 S762 D764 K768 A769 E770S698-K766 WeakPolarHBondContact OG-CE 3.41Å; S762-K766 WeakPolarHBondContact O-CG 3.3Å; S762-K766 PolarHBondContact O-N 3.13Å; S762-K766 VanDerWaalsContact O-N 3.12Å; D764-K766 VanDerWaalsContact C-N 3.34Å; K766-K768 VanDerWaalsContact C-N 3.26Å; K766-K768 PolarHBondContact O-N 3.31Å; K766-A769 WeakPolarHBondContact O-CB 3.31Å; K766-A769 PolarHBondContact O-N 3.29Å; K766-E770 WeakPolarHBondContact O-CG 3.48Å; K766-E770 PolarHBondContact O-N 3.2Å
767K96.6Very high95.4Very high103 Ų10358.5 Ų58.545%0.44829%0.288SS..Hα-helixtrans-56.3-36.7172.8-67.6164.6-149.8154.60112.9S763 D764 T771S763-K767 WeakPolarHBondContact O-CD 3.22Å; S763-K767 VanDerWaalsContact O-CE 3.27Å; S763-K767 WeakPolarHBondContact O-CE 3.24Å; S763-K767 VanDerWaalsContact O-CG 3.22Å; S763-K767 WeakPolarHBondContact O-CG 3.34Å; S763-K767 PolarHBondContact O-N 3Å; S763-K767 PolarHBondContact OG-NZ 3.19Å; D764-K767 IonicContact OD1-NZ 3.98Å; D764-K767 PolarHBondContact OD1-NZ 3.15Å; K767-T771 WeakPolarHBondContact O-CB 3.27Å; K767-T771 PolarHBondContact O-N 2.67Å; K767-T771 PolarHBondContact O-OG1 3.03Å
768K96.3Very high95.3Very high42 Ų4257.3 Ų57.318%0.18329%0.287CS..Hα-helixtrans-69.2-40.6176.2-17173.4173.9-1790111.2L702 W741 D764 L765 K766 T771 V772L702-K768 HydrophobicContact CD1-CB 4.31Å; L702-K768 HydrophobicContact CD1-CG 4.05Å; L702-K768 HydrophobicContact CD2-CB 4.08Å; L702-K768 HydrophobicContact CD2-CG 3.93Å; W741-K768 HydrophobicContact CD2-CD 4.04Å; W741-K768 HydrophobicContact CD2-CG 4.33Å; W741-K768 HydrophobicContact CE3-CB 4.4Å; W741-K768 HydrophobicContact CE3-CD 3.92Å; W741-K768 HydrophobicContact CE3-CG 3.69Å; W741-K768 HydrophobicContact CH2-CB 4.01Å; W741-K768 HydrophobicContact CH2-CG 4.19Å; W741-K768 HydrophobicContact CZ3-CB 3.83Å; W741-K768 HydrophobicContact CZ3-CD 4.19Å; W741-K768 HydrophobicContact CZ3-CG 3.62Å; D764-K768 WeakPolarHBondContact O-CB 3.45Å; D764-K768 PolarHBondContact O-N 3.36Å; L765-K768 PolarHBondContact O-N 2.93Å; K766-K768 VanDerWaalsContact C-N 3.26Å; K766-K768 PolarHBondContact O-N 3.31Å; K768-T771 WeakPolarHBondContact O-CB 3.41Å; K768-T771 PolarHBondContact O-N 3.11Å; K768-V772 WeakPolarHBondContact O-CG2 3.13Å; K768-V772 PolarHBondContact O-N 2.73Å
769A95.5Very high95.1Very high12 Ų1256.9 Ų56.910%0.09928%0.282CS..Hα-helixtrans-64.6-43.5176.200000111.8L702 L765 K766 T771 V772 D773L702-A769 HydrophobicContact CB-CB 4.41Å; L702-A769 HydrophobicContact CD1-CB 3.89Å; L765-A769 PolarHBondContact O-N 2.77Å; K766-A769 WeakPolarHBondContact O-CB 3.31Å; K766-A769 PolarHBondContact O-N 3.29Å; A769-T771 VanDerWaalsContact C-N 3.3Å; A769-T771 PolarHBondContact O-N 3.36Å; A769-V772 PolarHBondContact O-N 3.39Å; A769-D773 PolarHBondContact O-N 2.62Å
770E96Very high94.9Very high125 Ų12554.7 Ų54.758%0.58427%0.268SS*.Hα-helixtrans-58-40.8171.1-69.1161.8-162.400112K766 R774K766-E770 WeakPolarHBondContact O-CG 3.48Å; K766-E770 PolarHBondContact O-N 3.2Å; E770-R774 WeakPolarHBondContact O-CB 3.38Å; E770-R774 PolarHBondContact O-N 3.33Å
771T95.9Very high94.5Very high61 Ų6161.2 Ų61.237%0.37430%0.3SS..Hα-helixtrans-65.2-40.9177.8-60.30000111.7K767 K768 A769 F775K767-T771 WeakPolarHBondContact O-CB 3.27Å; K767-T771 PolarHBondContact O-N 2.67Å; K767-T771 PolarHBondContact O-OG1 3.03Å; K768-T771 WeakPolarHBondContact O-CB 3.41Å; K768-T771 PolarHBondContact O-N 3.11Å; A769-T771 VanDerWaalsContact C-N 3.3Å; A769-T771 PolarHBondContact O-N 3.36Å; T771-F775 PolarHBondContact O-N 3.36Å
772V95.5Very high93.9Very high1 Ų162.2 Ų62.21%0.00630%0.302CS..Hα-helixtrans-67.5-47.9175.9173.90000110.9F709 A738 K768 A769 F775 C776F709-V772 HydrophobicContact CD2-CG1 4.1Å; A738-V772 HydrophobicContact CB-CG2 3.57Å; K768-V772 WeakPolarHBondContact O-CG2 3.13Å; K768-V772 PolarHBondContact O-N 2.73Å; A769-V772 PolarHBondContact O-N 3.39Å; V772-F775 PolarHBondContact O-N 2.98Å; V772-C776 WeakPolarHBondContact O-CB 3.34Å; V772-C776 PolarHBondContact O-N 2.92Å; V772-C776 PolarHBondContact O-SG 2.96Å
773D95.1Very high93Very high51 Ų5166.9 Ų66.927%0.27333%0.332SS..Hα-helixtrans-59.1-50.2177.5-176.680.3000111.3F709 A769 F775 C776 K777F709-D773 HydrophobicContact CE2-CB 4.17Å; F709-D773 HydrophobicContact CZ-CB 4.5Å; F709-D773 WeakPolarHBondContact CZ-OD1 3.48Å; A769-D773 PolarHBondContact O-N 2.62Å; D773-F775 PolarHBondContact O-N 3.02Å; D773-F775 VanDerWaalsContact O-N 3.17Å; D773-C776 PolarHBondContact O-N 2.9Å; D773-K777 WeakPolarHBondContact O-CB 3.31Å; D773-K777 PolarHBondContact O-N 3.41Å; D773-K777 IonicContact OD1-NZ 3.55Å; D773-K777 PolarHBondContact OD1-NZ 3.44Å; D773-K777 IonicContact OD2-NZ 3.32Å; D773-K777 PolarHBondContact OD2-NZ 2.95Å
774R95.3Very high92Very high192 Ų19269.9 Ų69.973%0.72534%0.339SS*.Hα-helixtrans-60.5-29.3-179.8-169.1-178.467.7170.9-0.2113.4E770 P778E770-R774 WeakPolarHBondContact O-CB 3.38Å; E770-R774 PolarHBondContact O-N 3.33Å; R774-P778 VanDerWaalsContact O-CD 3.29Å; R774-P778 WeakPolarHBondContact O-CD 3.15Å; R774-P778 WeakPolarHBondContact O-CG 3.43Å
775F94.9Very high90.7Very high86 Ų8671.8 Ų71.838%0.37735%0.354SS..Hα-helixtrans-82.8-45.8175.3-173.2-86.4000112.5K730 Q734 T771 V772 D773 I779K730-F775 HydrophobicContact CB-CE1 4.28Å; K730-F775 HydrophobicContact CB-CZ 4.39Å; Q734-F775 HydrophobicContact CB-CD1 3.72Å; Q734-F775 HydrophobicContact CB-CE1 3.78Å; Q734-F775 HydrophobicContact CG-CB 4.28Å; Q734-F775 HydrophobicContact CG-CD1 3.67Å; Q734-F775 HydrophobicContact CG-CE1 4.17Å; Q734-F775 HydrophobicContact CG-CG 3.99Å; T771-F775 PolarHBondContact O-N 3.36Å; V772-F775 PolarHBondContact O-N 2.98Å; D773-F775 PolarHBondContact O-N 3.02Å; D773-F775 VanDerWaalsContact O-N 3.17Å; F775-I779 HydrophobicContact CE1-CD1 4.19Å
776C94.9Very high88.8Confident0 Ų075.9 Ų75.90%039%0.388CS..Hα-helixtrans-85.5-35.1-169.1-56.20000112.9F709 V731 V772 D773 I779 M780F709-C776 HydrophobicContact CB-CB 3.89Å; F709-C776 HydrophobicContact CD1-CB 3.43Å; F709-C776 VanDerWaalsContact CD1-CB 3.43Å; F709-C776 HydrophobicContact CD2-CB 3.77Å; F709-C776 HydrophobicContact CE1-CB 3.83Å; F709-C776 HydrophobicContact CE2-CB 4.15Å; F709-C776 HydrophobicContact CG-CB 3.4Å; F709-C776 VanDerWaalsContact CG-CB 3.4Å; F709-C776 HydrophobicContact CZ-CB 4.18Å; V731-C776 HydrophobicContact CG1-CB 3.99Å; V731-C776 HydrophobicContact CG2-CB 4.3Å; V772-C776 WeakPolarHBondContact O-CB 3.34Å; V772-C776 PolarHBondContact O-N 2.92Å; V772-C776 PolarHBondContact O-SG 2.96Å; D773-C776 PolarHBondContact O-N 2.9Å; C776-I779 PolarHBondContact O-N 3.41Å; C776-M780 WeakPolarHBondContact O-CG 3.29Å; C776-M780 PolarHBondContact O-N 3.49Å
777K93.3Very high86.8Confident83 Ų8377.6 Ų77.636%0.36141%0.408SS..Hα-helixtrans-61.5-44.8-176.4-164.6-162.5-135.9105.40113.4F709 D773 I779 M780 M781F709-K777 HydrophobicContact CE1-CB 4.12Å; F709-K777 HydrophobicContact CZ-CB 3.92Å; F709-K777 HydrophobicContact CZ-CG 4.47Å; D773-K777 WeakPolarHBondContact O-CB 3.31Å; D773-K777 PolarHBondContact O-N 3.41Å; D773-K777 IonicContact OD1-NZ 3.55Å; D773-K777 PolarHBondContact OD1-NZ 3.44Å; D773-K777 IonicContact OD2-NZ 3.32Å; D773-K777 PolarHBondContact OD2-NZ 2.95Å; K777-I779 PolarHBondContact O-N 2.87Å; K777-M780 PolarHBondContact O-N 2.93Å; K777-M781 HydrophobicContact CD-SD 4.23Å; K777-M781 HydrophobicContact CG-CG 4.16Å; K777-M781 HydrophobicContact CG-SD 3.6Å; K777-M781 VanDerWaalsContact O-CB 3.3Å; K777-M781 WeakPolarHBondContact O-CB 3.44Å; K777-M781 PolarHBondContact O-N 3.38Å
778P91.9Very high84.6Confident86 Ų8682 Ų8256%0.55843%0.427SS*.Hα-helixtrans-64-27.7178.1-21.835000113.5R774R774-P778 VanDerWaalsContact O-CD 3.29Å; R774-P778 WeakPolarHBondContact O-CD 3.15Å; R774-P778 WeakPolarHBondContact O-CG 3.43Å
779I90.4Very high82.1Confident24 Ų2485.7 Ų85.712%0.12346%0.456CS..Hα-helixtrans-77-54174.4-63.3170.3000109.9I723 E727 V731 F775 C776 K777 M781 K782I723-I779 WeakPolarHBondContact CD1-O 3.46Å; I723-I779 HydrophobicContact CG2-CG2 3.93Å; E727-I779 HydrophobicContact CB-CG2 3.81Å; V731-I779 HydrophobicContact CG2-CB 3.91Å; V731-I779 HydrophobicContact CG2-CD1 3.84Å; V731-I779 HydrophobicContact CG2-CG1 4.48Å; V731-I779 HydrophobicContact CG2-CG2 3.74Å; F775-I779 HydrophobicContact CE1-CD1 4.19Å; C776-I779 PolarHBondContact O-N 3.41Å; K777-I779 PolarHBondContact O-N 2.87Å; I779-M781 VanDerWaalsContact C-N 3.32Å; I779-M781 PolarHBondContact O-N 3.46Å; I779-K782 WeakPolarHBondContact O-CB 3.23Å; I779-K782 PolarHBondContact O-N 3.22Å
780M90Very high79.5Confident12 Ų1294 Ų946%0.05949%0.492CS..Hα-helixtrans-76-15.5-172.7-62.1-49.4-55.700114.5F709 A712 A713 F720 I723 V731 C776 K777F709-M780 HydrophobicContact CD1-CB 4.3Å; F709-M780 HydrophobicContact CD1-CG 4.1Å; F709-M780 HydrophobicContact CE1-CB 4.46Å; A712-M780 HydrophobicContact CB-CE 3.93Å; A712-M780 WeakPolarHBondContact O-CE 3.47Å; A713-M780 HydrophobicContact CB-CE 4.42Å; A713-M780 HydrophobicContact CB-SD 4.19Å; F720-M780 HydrophobicContact CD1-CE 3.69Å; F720-M780 HydrophobicContact CD2-CE 4.49Å; F720-M780 HydrophobicContact CE1-CE 3.79Å; F720-M780 HydrophobicContact CG-CE 4.06Å; F720-M780 HydrophobicContact CZ-CE 4.24Å; I723-M780 HydrophobicContact CD1-CE 3.97Å; I723-M780 HydrophobicContact CD1-SD 4.32Å; V731-M780 HydrophobicContact CB-SD 4.47Å; V731-M780 HydrophobicContact CG1-CG 4.19Å; V731-M780 HydrophobicContact CG1-SD 4.41Å; V731-M780 HydrophobicContact CG2-CG 4.08Å; V731-M780 HydrophobicContact CG2-SD 4.03Å; C776-M780 WeakPolarHBondContact O-CG 3.29Å; C776-M780 PolarHBondContact O-N 3.49Å; K777-M780 PolarHBondContact O-N 2.93Å
781M87.1Confident76.9Confident137 Ų13794.3 Ų94.368%0.67550%0.503SS*.THydrogen-bonded Turntrans-106.712.3172.4-62.4-172157.800113.5K777 I779K777-M781 HydrophobicContact CD-SD 4.23Å; K777-M781 HydrophobicContact CG-CG 4.16Å; K777-M781 HydrophobicContact CG-SD 3.6Å; K777-M781 VanDerWaalsContact O-CB 3.3Å; K777-M781 WeakPolarHBondContact O-CB 3.44Å; K777-M781 PolarHBondContact O-N 3.38Å; I779-M781 VanDerWaalsContact C-N 3.32Å; I779-M781 PolarHBondContact O-N 3.46Å
782K84.1Confident74.3Confident81 Ų8196.7 Ų96.735%0.35252%0.519SS..PPolyproline II helixtrans-54.6124.4174.1-173.6172.7-179.5179.30109.9H722 E727 I779H722-K782 PolarHBondContact NE2-O 2.95Å; E727-K782 IonicContact OE1-NZ 2.76Å; E727-K782 PolarHBondContact OE1-NZ 3.48Å; E727-K782 IonicContact OE2-NZ 2.99Å; E727-K782 PolarHBondContact OE2-NZ 2.94Å; I779-K782 WeakPolarHBondContact O-CB 3.23Å; I779-K782 PolarHBondContact O-N 3.22Å
783P77.3Confident71.7Confident112 Ų112102 Ų10273%0.72755%0.554SS**PPolyproline II helixtrans-61.5145-176.5-26.535.4000113.3
784K74.5Confident69.1Low116 Ų116108.8 Ų108.850%0.50458%0.584SS.*PPolyproline II helixtrans-65.3128.2174.1-163.9152.1-163.21690109P718 H722 A786P718-K784 PolarHBondContact O-NZ 2.69Å; H722-K784 HydrophobicContact CB-CG 4.08Å; H722-K784 WeakPolarHBondContact ND1-CD 3.36Å; H722-K784 WeakPolarHBondContact ND1-CG 3.41Å; K784-A786 PolarHBondContact O-N 2.8Å
785P67.2Low66.4Low96 Ų96105.4 Ų105.462%0.62359%0.585SS**PPolyproline II helixtrans-54.6132.1-178.9-2835.2000111.6H722H722-P785 HydrophobicContact CB-CG 4.44Å
786A58Low64.7Low87 Ų87106 Ų10672%0.71960%0.597SS**PPolyproline II helixtrans-57.2139.7177.500000110.2K784 K788K784-A786 PolarHBondContact O-N 2.8Å; A786-K788 PolarHBondContact O-N 3.18Å
787P53.6Low62.1Low122 Ų122111.9 Ų111.979%0.79264%0.636SS**PPolyproline II helixtrans-53.7130.1174.3-24.233.5000110
788K50.9Low59.5Low195 Ų195112.9 Ų112.985%0.84865%0.648SS**PPolyproline II helixtrans-55.7127.3177.3-71.1-175.4179.1179.90108.6A786 Q790A786-K788 PolarHBondContact O-N 3.18Å; K788-Q790 PolarHBondContact O-N 3.06Å
789P42.8Very low57Low121 Ų121118 Ų11879%0.78667%0.665SS**PPolyproline II helixtrans-60.3125.4178.524.1-33000109.1T791P789-T791 PolarHBondContact O-N 2.89Å
790Q42Very low54.5Low185 Ų185122.7 Ų122.786%0.86470%0.695SS**PPolyproline II helixtrans-67.6117.6176.9-66.3-177.31.800108.7K788 P792K788-Q790 PolarHBondContact O-N 3.06Å; Q790-P792 VanDerWaalsContact O-CD 3.32Å; Q790-P792 WeakPolarHBondContact O-CD 3.4Å
791T39.7Very low52.5Low132 Ų132127.8 Ų127.881%0.8173%0.729SS**PPolyproline II helixtrans-68.3121.1177.1-44.30000109.7P789P789-T791 PolarHBondContact O-N 2.89Å
792P41.9Very low50.4Low111 Ų111126 Ų12672%0.72174%0.735SS**PPolyproline II helixtrans-65.2141.3176.9-21.534.4000111.5Q790Q790-P792 VanDerWaalsContact O-CD 3.32Å; Q790-P792 WeakPolarHBondContact O-CD 3.4Å
793P41.3Very low48.2Very low112 Ų112125.8 Ų125.873%0.72776%0.756SS**PPolyproline II helixtrans-82.2148-174.532.4-35.5000113.3
794Q40.5Very low46.3Very low195 Ų195124.3 Ų124.391%0.91176%0.762SS**PPolyproline II helixtrans-97.3139.6162.2-70.9-174.9-900110.6
795T38.8Very low44.7Very low120 Ų120123.4 Ų123.474%0.73678%0.776SS**  trans-162.3177.5-174.545.80000108.5
796P57.8Low43.4Very low100 Ų100127.2 Ų127.265%0.64979%0.786SS**  cis-118.8-136.4-30.821.64000108.9T798P796-T798 WeakPolarHBondContact CG-OG1 3.18Å
797P41.3Very low42.3Very low123 Ų123128.9 Ų128.980%0.79979%0.787SS**  -129.2140.954.631.4-12.8000113.8
798T39.2Very low41.9Very low103 Ų103128 Ų12863%0.63278%0.781SS**  84.7105.259.2-55.20000114.5P796P796-T798 WeakPolarHBondContact CG-OG1 3.18Å
799E38.3Very low41.3Very low195 Ų195125.8 Ų125.891%0.91177%0.774SS**  -152.7165.8125.2-118.1173.5-158.700110.5
800T38Very low41.1Very low121 Ų121128.4 Ų128.474%0.74278%0.776SS**  trans-139.6-168-151.640000111.7
801P48.5Very low40.6Very low120 Ų120128 Ų12878%0.77977%0.774SS**  cis-113.3-165.2-4.545.5-31.9000111.7
802A41.9Very low40.9Very low98 Ų98125.7 Ų125.781%0.8176%0.761SS**  cis-151.21664.900000109.5
803G38.8Very low40.6Very low77 Ų77129.5 Ų129.579%0.79477%0.769SS**  cis154114.4-8.100000112.8
804G37.7Very low40.4Very low82 Ų82127.9 Ų127.985%0.84577%0.772SS**  trans84.5172.5-177.500000114.2
805A40.3Very low40.2Very low97 Ų97123.7 Ų123.780%0.80277%0.771SS**  cis-160.2167.4-9.700000108.7
806Q40.1Very low39.9Very low176 Ų176127.2 Ų127.282%0.82278%0.779SS**  cis-137-115.70.9-161.8166.9-22.100112.2
807T35.5Very low38.8Very low121 Ų121127.5 Ų127.574%0.74279%0.79SS**  trans-178.6178.4-164.63.30000109.8
808P45.6Very low38.4Very low103 Ų103127 Ų12767%0.66980%0.796SS**  cis-128.4-142.3-11.931.4-5.5000110.9
809E37.7Very low38.1Very low149 Ų149125.8 Ų125.870%0.69680%0.804SS**  cis-166.1179.7-3-142.6168.7-87.400113
810Q37.2Very low37.8Very low176 Ų176126 Ų12682%0.82281%0.806SS**  trans83.3162.4149.8-78.2175.136.100123.6
811Q32.2Very low37.6Very low177 Ų177125.1 Ų125.183%0.82781%0.81SS**  trans-161.4-156.3-146.1-135-1717.300108
812P45.7Very low36.7Very low83 Ų83124.9 Ų124.954%0.53981%0.812SS.*  cis-138.7179.2-22.239.4-20.4000116.6
813Q36.9Very low36.4Very low192 Ų192129.8 Ų129.890%0.89782%0.818SS**  trans57.3155.4148.6-69.7151.97.500120.2
814G35.7Very low36.1Very low77 Ų77129.5 Ų129.579%0.79482%0.815SS**  cis-166.9-166.3-100000109.1
815A36.6Very low35.6Very low107 Ų107130 Ų13088%0.88482%0.82SS**  cis-152.7-112.7-1.800000112.6
816E32.7Very low35.3Very low194 Ų194130 Ų13091%0.90782%0.82SS**  trans-126.9156.1-165.9-57.1172.2129.100115.3
817A35.9Very low34.8Very low107 Ų107127.3 Ų127.388%0.88482%0.82SS**  trans-177.4162.5135.500000111.8
818A32.8Very low34.8Very low111 Ų111130.4 Ų130.492%0.91783%0.826SS**  trans-126.9164.6-179.900000112.7
819G32.8Very low34.1Very low78 Ų78131 Ų13180%0.80483%0.833SS**  trans-173.8129.6172.700000114
820E31.2Very low34Very low201 Ų201130.3 Ų130.394%0.93984%0.839SS**  trans-96.6136.7169.1-59.9174.3115.800109.7
821A33.6Very low33.8Very low101 Ų101125 Ų12584%0.83583%0.832SS**  trans-157.7131.5160.200000112.2
822S30.2Very low33.9Very low116 Ų116126 Ų12681%0.81184%0.836SS**PPolyproline II helixtrans-63.3139.4169.150.80000113.6
823E35.6Very low33.2Very low201 Ų201130.8 Ų130.894%0.93985%0.852SS**PPolyproline II helixtrans-88.8119.5157-71.1-170.5140.100110.3
824G32.4Very low33Very low71 Ų71130.7 Ų130.773%0.73285%0.853SS**PPolyproline II helixtrans-93.7146.6162.900000110
825G26.5Very low33Very low92 Ų92136 Ų13695%0.94886%0.858SS**PPolyproline II helixtrans-66.9136.6-178.500000113.1
826A34.8Very low32.7Very low97 Ų97137 Ų13780%0.80285%0.853SS**  trans-115.8136.1167.800000109.7
827S29.6Very low33Very low119 Ų119135 Ų13583%0.83285%0.848SS**  trans-94.2115.6174.554.40000110.1
828E34.5Very low33Very low187 Ų187139.8 Ų139.887%0.87485%0.849SS**  trans-91.6117.7171.7-68.8-162.3135.600111.5
829S31.8Very low33.3Very low115 Ų115140.1 Ų140.180%0.80484%0.842SS**  trans-95.799.4168.955.50000109.5G831S829-G831 PolarHBondContact O-N 3.07Å; S829-G831 VanDerWaalsContact O-N 3.08Å
830T36.1Very low33.7Very low134 Ų134146 Ų14682%0.82285%0.848SS**  trans-75.494.517453.10000110.5
831G31.6Very low34Very low65 Ų65139.7 Ų139.767%0.6784%0.838SS**PPolyproline II helixtrans-86.1124.6161.800000109.7S829 Q833S829-G831 PolarHBondContact O-N 3.07Å; S829-G831 VanDerWaalsContact O-N 3.08Å; G831-Q833 PolarHBondContact O-N 2.84Å
832E34.4Very low34.4Very low198 Ų198141.8 Ų141.893%0.92584%0.84SS**PPolyproline II helixtrans-70.1128.1176.2-70.1-179.9117.500110.8
833Q31.7Very low35Very low184 Ų184145.5 Ų145.586%0.8685%0.845SS**PPolyproline II helixtrans-83.5124168-63.4178.3-79.800108.6G831 E835G831-Q833 PolarHBondContact O-N 2.84Å; Q833-E835 PolarHBondContact O-N 3.01Å
834M32.1Very low35.4Very low190 Ų190140.6 Ų140.694%0.93684%0.838SS**  trans-7799.8162.6-71.4-174.7179.900108.7
835E36.1Very low35.8Very low189 Ų189145.8 Ų145.888%0.88387%0.874SS**  trans-73.5130.9160.5-74.6-165132.100109.6Q833Q833-E835 PolarHBondContact O-N 3.01Å
836T31.5Very low36.2Very low127 Ų127148.5 Ų148.578%0.77987%0.87SS**  trans-95.8119.1171.640.50000108.3
837D37.4Very low36.3Very low153 Ų153151.2 Ų151.282%0.81887%0.874SS**  trans-174.9133.5132.1-105.4-23.3000113.7
838K36.8Very low36.7Very low206 Ų206152.9 Ų152.990%0.89688%0.876SS**  trans-163.7110.1150.8-120.8-172.8-179.5-168.10110.7
839P37.8Very low36.8Very low119 Ų119150.9 Ų150.977%0.77388%0.877SS**  trans-97.5118.6179.933.8-30.5000112.7
840E42.5Very low37.1Very low201 Ų201153.2 Ų153.294%0.93988%0.881SS**  trans-157.9139.6163.7-106.9167.6-155.100107.8
841G36.8Very low37.2Very low69 Ų69154.5 Ų154.571%0.71189%0.885SS**  cis156.747.6-4.500000115.6
842T41.9Very low37.6Very low144 Ų144160.9 Ų160.988%0.88390%0.9SS**  trans-142.9132176.639.30000113.6
843E43Very low37.9Very low195 Ų195158 Ų15891%0.91190%0.898SS**  trans-88.2153.3172.6-56.5169.6107.100111.8
844A44.1Very low38.4Very low97 Ų97155.8 Ų155.880%0.80290%0.902SS**  150.6147.3123.400000113.6
845A40.6Very low39Very low180 Ų180152.7 Ų152.7100%1.48890%0.898SS**  trans74.30177.600000116.6

Retrieved 845 of 845 residues in 1987.6 ms (Link to these results)

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