A0A077YX45_TRITR Loading...

Protein artemis

AlphaFold DB , UniProt , Accession A0A077YX45, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 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
1M69.5Low92.1Very high142 Ų14227.6 Ų27.670%0.716%0.157SC*.  0110.60-73.1-153.5-6900105.3S3 D37M1-S3 PolarHBondContact O-N 3.43Å; M1-D37 WeakPolarHBondContact CA-OD2 3.12Å; M1-D37 HydrophobicContact CB-CB 4.37Å; M1-D37 HydrophobicContact CG-CB 4.12Å; M1-D37 PolarHBondContact N-OD2 2.8Å
2S83.7Confident92.3Very high6 Ų632.4 Ų32.44%0.04218%0.182CC..  trans-51131.1173.2177.90000110.1F4S2-F4 WeakPolarHBondContact OG-CB 3.42Å; S2-F4 PolarHBondContact OG-N 2.65Å
3S90.2Very high92.6Very high8 Ų830.4 Ų30.46%0.05617%0.17CC..  trans-100.73.117350.20000111.8M1 C337 V338 L339 L368 R369M1-S3 PolarHBondContact O-N 3.43Å; S3-C337 CarbonylContact C-O 3.57Å; S3-C337 PolarHBondContact N-O 3.1Å; S3-C337 VanDerWaalsContact N-O 3.09Å; S3-C337 PolarHBondContact OG-O 3.32Å; S3-V338 WeakPolarHBondContact OG-CA 3.12Å; S3-L339 PolarHBondContact OG-N 3.07Å; S3-L368 CarbonylContact O-C 3.45Å; S3-L368 VanDerWaalsContact O-CA 3.29Å; S3-L368 WeakPolarHBondContact O-CA 3.35Å; S3-L368 VanDerWaalsContact OG-CD2 3.25Å; S3-L368 WeakPolarHBondContact OG-CD2 3.31Å; S3-R369 WeakPolarHBondContact O-CG 3.4Å; S3-R369 PolarHBondContact O-N 3.33Å
4F95.2Very high92.9Very high1 Ų128.2 Ų28.20%0.00416%0.158CC..BIsolated β-bridgetrans-66136.4-179.9-178.6-130.6000110.9S2 G6 I7 I8 V16 Y130 Y160 C337 C367 R369S2-F4 WeakPolarHBondContact OG-CB 3.42Å; S2-F4 PolarHBondContact OG-N 2.65Å; F4-G6 VanDerWaalsContact CZ-C 3.48Å; F4-G6 PolarHBondContact O-N 2.64Å; F4-I7 WeakPolarHBondContact CZ-O 3.27Å; F4-I8 HydrophobicContact CE1-CD1 4.45Å; F4-I8 HydrophobicContact CZ-CD1 4.03Å; F4-V16 HydrophobicContact CE1-CB 4.33Å; F4-Y130 HydrophobicContact CD1-CD2 4.5Å; F4-Y130 AromaticContact CD1-CE2 3.62Å; F4-Y130 HydrophobicContact CD1-CE2 3.62Å; F4-Y130 HydrophobicContact CE1-CD2 4.13Å; F4-Y130 AromaticContact CE1-CE2 3.66Å; F4-Y130 HydrophobicContact CE1-CE2 3.66Å; F4-Y130 HydrophobicContact CG-CE2 4.35Å; F4-Y130 HydrophobicContact CZ-CE2 4.43Å; F4-Y160 HydrophobicContact CD2-CD1 4.47Å; F4-Y160 AromaticContact CE2-CD1 3.66Å; F4-Y160 HydrophobicContact CE2-CD1 3.66Å; F4-Y160 AromaticContact CE2-CE1 3.82Å; F4-Y160 HydrophobicContact CE2-CE1 3.82Å; F4-Y160 AromaticContact CZ-CD1 3.95Å; F4-Y160 HydrophobicContact CZ-CD1 3.95Å; F4-Y160 HydrophobicContact CZ-CE1 4.12Å; F4-C337 HydrophobicContact CB-CB 4.04Å; F4-C337 PolarHBondContact N-O 3.1Å; F4-C367 WeakPolarHBondContact CD2-O 3.27Å; F4-C367 VanDerWaalsContact CD2-SG 3.51Å; F4-R369 WeakPolarHBondContact O-CG 3.35Å; F4-R369 PolarHBondContact O-NE 3.25Å; F4-R369 PolarHBondContact O-NH2 3.46Å
5N95.5Very high93.2Very high31 Ų3126.3 Ų26.317%0.16615%0.147CC..  trans-78.9-1.5-178.369.617.4000114.2I7 Y18 G366 C367 R369N5-I7 VanDerWaalsContact C-N 3.31Å; N5-I7 PolarHBondContact O-N 3.06Å; N5-I7 PolarHBondContact OD1-N 3.1Å; N5-Y18 WeakPolarHBondContact O-CD1 2.94Å; N5-G366 PolarHBondContact ND2-O 3.04Å; N5-C367 WeakPolarHBondContact CB-O 3.35Å; N5-C367 PolarHBondContact N-O 3.06Å; N5-C367 PolarHBondContact ND2-O 3.4Å; N5-C367 PolarHBondContact OD1-O 3.23Å; N5-R369 HydrophobicContact CB-CG 4.3Å
6G96.9Very high93.6Very high0 Ų024.7 Ų24.70%014%0.138CC..SBendtrans89.7-22.6177.900000114.9F4 S15 V16F4-G6 VanDerWaalsContact CZ-C 3.48Å; F4-G6 PolarHBondContact O-N 2.64Å; G6-S15 CarbonylContact O-C 3.52Å; G6-S15 WeakPolarHBondContact O-CA 3.32Å; G6-S15 PolarHBondContact O-OG 3.07Å; G6-V16 VanDerWaalsContact CA-O 3.3Å; G6-V16 WeakPolarHBondContact CA-O 3.27Å; G6-V16 PolarHBondContact O-N 3.23Å
7I96.8Very high93.8Very high32 Ų3223.3 Ų23.316%0.16413%0.13CC..BIsolated β-bridgetrans-92.9124.1-167.6-58.5165.6000110F4 N5 A9 N12 R22 A23F4-I7 WeakPolarHBondContact CZ-O 3.27Å; N5-I7 VanDerWaalsContact C-N 3.31Å; N5-I7 PolarHBondContact O-N 3.06Å; N5-I7 PolarHBondContact OD1-N 3.1Å; I7-A9 PolarHBondContact O-N 3.17Å; I7-N12 HydrophobicContact CG2-CB 4.27Å; I7-R22 HydrophobicContact CD1-CB 4.12Å; I7-R22 HydrophobicContact CD1-CG 3.73Å; I7-A23 HydrophobicContact CG1-CB 4.41Å
8I97.3Very high94Very high0 Ų023.4 Ų23.40%013%0.128CC..  trans-78.1111.5167.8-53.9-61.9000107.2F4 E10 Y11 N12 I14 V16 F121 V128 Y130 Y160F4-I8 HydrophobicContact CE1-CD1 4.45Å; F4-I8 HydrophobicContact CZ-CD1 4.03Å; I8-E10 VanDerWaalsContact C-N 3.27Å; I8-E10 PolarHBondContact O-N 2.92Å; I8-Y11 HydrophobicContact CG2-CD2 4.02Å; I8-Y11 CarbonylContact O-C 3.5Å; I8-Y11 PolarHBondContact O-N 3.19Å; I8-N12 WeakPolarHBondContact O-CA 3.46Å; I8-N12 PolarHBondContact O-N 3.17Å; I8-N12 VanDerWaalsContact O-N 3.1Å; I8-I14 HydrophobicContact CG1-CG2 4.25Å; I8-V16 HydrophobicContact CD1-CG2 4Å; I8-V16 HydrophobicContact CG1-CG2 3.94Å; I8-F121 HydrophobicContact CD1-CE2 4.11Å; I8-F121 HydrophobicContact CG1-CE2 4.03Å; I8-F121 HydrophobicContact CG1-CZ 4.37Å; I8-V128 HydrophobicContact CG2-CG1 3.88Å; I8-Y130 HydrophobicContact CD1-CD2 4.35Å; I8-Y160 HydrophobicContact CD1-CD1 4.47Å; I8-Y160 HydrophobicContact CD1-CD2 4.38Å; I8-Y160 HydrophobicContact CD1-CE1 4.46Å; I8-Y160 HydrophobicContact CD1-CE2 4.4Å; I8-Y160 HydrophobicContact CD1-CG 4.44Å; I8-Y160 HydrophobicContact CG2-CE2 4.17Å
9A95.8Very high94.2Very high57 Ų5722.2 Ų22.247%0.47112%0.122SC..SBendtrans-58.2-39.7-170.600000112.9I7 Y160I7-A9 PolarHBondContact O-N 3.17Å; A9-Y160 WeakPolarHBondContact CB-OH 3.37Å; A9-Y160 PolarHBondContact N-OH 3.28Å
10E96.1Very high94.2Very high24 Ų2422.6 Ų22.611%0.11213%0.126CC..THydrogen-bonded Turntrans-69.4-37.6177.6-62.378.5-170.900111.4I8 E125 V128 T157 S158 Y160 Y335I8-E10 VanDerWaalsContact C-N 3.27Å; I8-E10 PolarHBondContact O-N 2.92Å; E10-E125 HydrophobicContact CB-CB 3.86Å; E10-E125 HydrophobicContact CB-CG 4.45Å; E10-E125 HydrophobicContact CG-CB 4.46Å; E10-E125 WeakPolarHBondContact O-CG 3.25Å; E10-V128 HydrophobicContact CB-CG2 3.92Å; E10-V128 HydrophobicContact CG-CG2 3.76Å; E10-T157 HydrophobicContact CG-CG2 4.29Å; E10-S158 VanDerWaalsContact OE1-CB 3.25Å; E10-S158 WeakPolarHBondContact OE1-CB 3.43Å; E10-S158 PolarHBondContact OE1-OG 3.1Å; E10-Y160 WeakPolarHBondContact OE2-CE2 3.07Å; E10-Y160 PolarHBondContact OE2-OH 2.75Å; E10-Y335 PolarHBondContact OE1-OH 2.92Å
11Y96.4Very high94.2Very high3 Ų327.2 Ų27.21%0.01215%0.15CC..THydrogen-bonded Turntrans-118.964.2-178.2-58.7-76.9000110.3I8 F13 I14 A103 F121 G123 E125 G126 V128I8-Y11 HydrophobicContact CG2-CD2 4.02Å; I8-Y11 CarbonylContact O-C 3.5Å; I8-Y11 PolarHBondContact O-N 3.19Å; Y11-F13 AromaticContact CD1-CE1 3.96Å; Y11-F13 HydrophobicContact CD1-CE1 3.96Å; Y11-F13 HydrophobicContact CD1-CZ 4.23Å; Y11-F13 PolarHBondContact O-N 2.68Å; Y11-I14 HydrophobicContact CG-CD1 4.33Å; Y11-I14 WeakPolarHBondContact O-CA 3.5Å; Y11-I14 VanDerWaalsContact O-CB 3.23Å; Y11-I14 WeakPolarHBondContact O-CB 3.43Å; Y11-I14 PolarHBondContact O-N 2.72Å; Y11-A103 HydrophobicContact CD1-CB 3.77Å; Y11-A103 HydrophobicContact CE1-CB 3.81Å; Y11-A103 HydrophobicContact CG-CB 4.33Å; Y11-F121 HydrophobicContact CD2-CB 3.73Å; Y11-F121 HydrophobicContact CD2-CG 4.36Å; Y11-F121 HydrophobicContact CE2-CB 3.66Å; Y11-G123 WeakPolarHBondContact OH-CA 3.37Å; Y11-G123 PolarHBondContact OH-N 2.79Å; Y11-E125 HydrophobicContact CE1-CB 4.29Å; Y11-G126 PolarHBondContact OH-N 3.41Å; Y11-G126 PolarHBondContact OH-O 2.87Å; Y11-V128 HydrophobicContact CD2-CB 4.43Å; Y11-V128 HydrophobicContact CD2-CG2 4.3Å; Y11-V128 HydrophobicContact CE2-CB 4.08Å; Y11-V128 HydrophobicContact CE2-CG2 3.8Å
12N94.4Very high95.3Very high85 Ų8529 Ų2946%0.45515%0.149SC..THydrogen-bonded Turntrans-63.3-11.3-170.369-11.9000115.9I7 I8I7-N12 HydrophobicContact CG2-CB 4.27Å; I8-N12 WeakPolarHBondContact O-CA 3.46Å; I8-N12 PolarHBondContact O-N 3.17Å; I8-N12 VanDerWaalsContact O-N 3.1Å
13F95.5Very high95.8Very high6 Ų628.7 Ų28.73%0.02615%0.148CC..THydrogen-bonded Turntrans-78.6-3.716968.3-89.1000113Y11 A26 C27 A28 V92 K101 A103Y11-F13 AromaticContact CD1-CE1 3.96Å; Y11-F13 HydrophobicContact CD1-CE1 3.96Å; Y11-F13 HydrophobicContact CD1-CZ 4.23Å; Y11-F13 PolarHBondContact O-N 2.68Å; F13-A26 WeakPolarHBondContact O-CA 3.38Å; F13-A26 WeakPolarHBondContact O-CB 3.34Å; F13-C27 PolarHBondContact O-N 3.25Å; F13-A28 PolarHBondContact O-N 2.94Å; F13-V92 HydrophobicContact CE2-CG1 4.2Å; F13-K101 HydrophobicContact CD1-CB 4.04Å; F13-K101 HydrophobicContact CD1-CD 4.41Å; F13-K101 HydrophobicContact CE1-CB 3.84Å; F13-A103 HydrophobicContact CZ-CB 4.16Å
14I97.5Very high96.1Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-107.6132.1177.3-56.2-176000110I8 Y11 V16 A28 F30 A103 F121I8-I14 HydrophobicContact CG1-CG2 4.25Å; Y11-I14 HydrophobicContact CG-CD1 4.33Å; Y11-I14 WeakPolarHBondContact O-CA 3.5Å; Y11-I14 VanDerWaalsContact O-CB 3.23Å; Y11-I14 WeakPolarHBondContact O-CB 3.43Å; Y11-I14 PolarHBondContact O-N 2.72Å; I14-V16 HydrophobicContact CG2-CG2 4.15Å; I14-A28 CarbonylContact C-O 3.01Å; I14-A28 VanDerWaalsContact CA-O 3.29Å; I14-A28 WeakPolarHBondContact CA-O 3.37Å; I14-A28 HydrophobicContact CG1-CB 4.2Å; I14-F30 HydrophobicContact CG2-CD2 3.63Å; I14-F30 HydrophobicContact CG2-CE2 3.75Å; I14-A103 HydrophobicContact CD1-CB 4.16Å; I14-F121 HydrophobicContact CD1-CD1 3.54Å; I14-F121 HydrophobicContact CD1-CE1 3.69Å; I14-F121 HydrophobicContact CD1-CG 4.44Å; I14-F121 HydrophobicContact CG2-CE1 3.85Å; I14-F121 HydrophobicContact CG2-CZ 4.03Å
15S97.8Very high96Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-120144165.7-174.90000111.8G6 Y18 A23 A28 F29 F30G6-S15 CarbonylContact O-C 3.52Å; G6-S15 WeakPolarHBondContact O-CA 3.32Å; G6-S15 PolarHBondContact O-OG 3.07Å; S15-Y18 PolarHBondContact OG-O 2.89Å; S15-A23 WeakPolarHBondContact OG-CB 3.42Å; S15-A28 PolarHBondContact N-O 2.86Å; S15-F29 CarbonylContact O-C 3.41Å; S15-F29 WeakPolarHBondContact O-CA 3.39Å; S15-F30 PolarHBondContact O-N 2.62Å
16V98.6Very high96Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-130.7130.9180-167.70000111F4 G6 I8 I14 Y18 F30 L119 F121 Y130F4-V16 HydrophobicContact CE1-CB 4.33Å; G6-V16 VanDerWaalsContact CA-O 3.3Å; G6-V16 WeakPolarHBondContact CA-O 3.27Å; G6-V16 PolarHBondContact O-N 3.23Å; I8-V16 HydrophobicContact CD1-CG2 4Å; I8-V16 HydrophobicContact CG1-CG2 3.94Å; I14-V16 HydrophobicContact CG2-CG2 4.15Å; V16-Y18 PolarHBondContact O-N 3.41Å; V16-F30 WeakPolarHBondContact CA-O 3.29Å; V16-F30 HydrophobicContact CB-CB 4.4Å; V16-F30 HydrophobicContact CG1-CB 4.06Å; V16-F30 HydrophobicContact CG2-CB 4.12Å; V16-L119 HydrophobicContact CB-CD1 4.4Å; V16-L119 HydrophobicContact CG1-CD1 3.51Å; V16-L119 HydrophobicContact CG2-CD1 3.95Å; V16-F121 HydrophobicContact CG2-CZ 4.04Å; V16-Y130 HydrophobicContact CB-CE1 4.34Å; V16-Y130 HydrophobicContact CG1-CD1 3.69Å; V16-Y130 HydrophobicContact CG1-CE1 3.4Å; V16-Y130 HydrophobicContact CG1-CG 4.34Å
17D98.1Very high95.9Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..SBendtrans56.711.7172-62.7-15.9000116.9F30 S32 H38 Y130D17-F30 PolarHBondContact N-O 2.91Å; D17-S32 WeakPolarHBondContact OD1-CB 3.49Å; D17-S32 PolarHBondContact OD1-N 3.29Å; D17-S32 PolarHBondContact OD1-OG 3.45Å; D17-S32 VanDerWaalsContact OD1-OG 3.06Å; D17-S32 WeakPolarHBondContact OD2-CB 3.44Å; D17-S32 PolarHBondContact OD2-OG 2.87Å; D17-H38 CarbonylContact C-O 3.48Å; D17-H38 VanDerWaalsContact C-O 3.28Å; D17-H38 WeakPolarHBondContact CA-O 3.41Å; D17-H38 HydrophobicContact CB-CB 3.8Å; D17-H38 CarbonylContact O-C 3.39Å; D17-H38 VanDerWaalsContact O-C 3.28Å; D17-H38 IonicContact OD2-CE1 3Å; D17-H38 IonicContact OD2-CG 3.67Å; D17-H38 IonicContact OD2-ND1 4Å; D17-H38 PolarHBondContact OD2-ND1 3.15Å; D17-Y130 WeakPolarHBondContact OD2-CE1 3.36Å; D17-Y130 PolarHBondContact OD2-OH 3.36Å
18Y97.1Very high95.9Very high25 Ų2534 Ų3410%0.09817%0.172CC..BIsolated β-bridgetrans-146.6125172.8-169.2-114.8000109.8N5 S15 V16 C20 D21 A23 A40 R369N5-Y18 WeakPolarHBondContact O-CD1 2.94Å; S15-Y18 PolarHBondContact OG-O 2.89Å; V16-Y18 PolarHBondContact O-N 3.41Å; Y18-C20 HydrophobicContact CD1-CB 4.49Å; Y18-C20 HydrophobicContact CE1-CB 3.79Å; Y18-C20 HydrophobicContact CE2-CB 4Å; Y18-D21 PolarHBondContact OH-OD2 3.37Å; Y18-A23 HydrophobicContact CD1-CB 3.87Å; Y18-A23 WeakPolarHBondContact O-CB 3.43Å; Y18-A40 HydrophobicContact CD2-CB 3.85Å; Y18-A40 HydrophobicContact CE2-CB 3.93Å; Y18-R369 VanDerWaalsContact CD2-NE 3.33Å; Y18-R369 VanDerWaalsContact CE2-NE 3.34Å
19F97Very high96Very high0 Ų034 Ų340%017%0.172CC..  trans-126.835.5-169.4-47.1-84.9000111.1L24 F29 F30 L31 H38 A40 L42 F47 L58F19-L24 WeakPolarHBondContact O-CD2 3.49Å; F19-F29 HydrophobicContact CD1-CB 4.18Å; F19-F29 AromaticContact CD1-CD1 3.83Å; F19-F29 HydrophobicContact CD1-CD1 3.83Å; F19-F29 HydrophobicContact CD1-CG 4.35Å; F19-F29 HydrophobicContact CE1-CB 3.96Å; F19-F29 HydrophobicContact CE1-CD1 4.33Å; F19-F30 WeakPolarHBondContact CZ-O 3.47Å; F19-L31 HydrophobicContact CE2-CD1 4.19Å; F19-L31 HydrophobicContact CZ-CB 4.31Å; F19-L31 HydrophobicContact CZ-CD1 4.22Å; F19-H38 WeakPolarHBondContact CE2-O 3.44Å; F19-A40 WeakPolarHBondContact CA-O 3.32Å; F19-A40 WeakPolarHBondContact CB-O 3.46Å; F19-A40 PolarHBondContact N-O 3.39Å; F19-L42 HydrophobicContact CD1-CD1 4.06Å; F19-L42 HydrophobicContact CD2-CB 3.89Å; F19-L42 HydrophobicContact CD2-CD1 3.74Å; F19-L42 HydrophobicContact CD2-CG 4.4Å; F19-L42 HydrophobicContact CE1-CD1 4.04Å; F19-L42 HydrophobicContact CE2-CB 4.32Å; F19-L42 HydrophobicContact CE2-CD1 3.73Å; F19-L42 HydrophobicContact CE2-CG 4.48Å; F19-L42 HydrophobicContact CG-CB 4.47Å; F19-L42 HydrophobicContact CG-CD1 3.92Å; F19-L42 HydrophobicContact CZ-CD1 3.88Å; F19-F47 HydrophobicContact CB-CD1 4.45Å; F19-F47 HydrophobicContact CB-CD2 3.92Å; F19-F47 HydrophobicContact CB-CE2 4.11Å; F19-F47 HydrophobicContact CB-CG 4.1Å; F19-F47 HydrophobicContact CB-CZ 4.45Å; F19-F47 HydrophobicContact CD1-CD2 4.42Å; F19-F47 HydrophobicContact CD1-CE1 4.24Å; F19-F47 AromaticContact CD1-CE2 3.75Å; F19-F47 HydrophobicContact CD1-CE2 3.75Å; F19-F47 AromaticContact CD1-CZ 3.63Å; F19-F47 HydrophobicContact CD1-CZ 3.63Å; F19-F47 HydrophobicContact CE1-CZ 4.29Å; F19-F47 HydrophobicContact CG-CE2 4.32Å; F19-F47 HydrophobicContact CG-CZ 4.29Å; F19-L58 HydrophobicContact CE1-CD1 3.94Å; F19-L58 HydrophobicContact CZ-CD1 4.4Å
20C94.8Very high96.1Very high31 Ų3131.3 Ų31.321%0.20915%0.15CC..SBendtrans-125.7167.1179.2-60.20000111.8Y18 R22 A23 G41Y18-C20 HydrophobicContact CD1-CB 4.49Å; Y18-C20 HydrophobicContact CE1-CB 3.79Å; Y18-C20 HydrophobicContact CE2-CB 4Å; C20-R22 PolarHBondContact O-N 3.04Å; C20-A23 VanDerWaalsContact O-CB 3.27Å; C20-A23 WeakPolarHBondContact O-CB 3.49Å; C20-A23 PolarHBondContact O-N 3.47Å; C20-G41 WeakPolarHBondContact SG-CA 3.28Å; C20-G41 PolarHBondContact SG-N 3.31Å; C20-G41 VanDerWaalsContact SG-N 3.44Å
21D93.2Very high96.3Very high119 Ų11930.2 Ų30.264%0.63614%0.144SC*.G310 helixtrans51.9-130.9165.2-46.8-46000113.2Y18 A23 L24Y18-D21 PolarHBondContact OH-OD2 3.37Å; D21-A23 PolarHBondContact O-N 3.14Å; D21-L24 WeakPolarHBondContact O-CB 3.08Å; D21-L24 PolarHBondContact O-N 3.5Å; D21-L24 VanDerWaalsContact O-N 3.1Å
22R93.2Very high96.4Very high179 Ų17930.1 Ų30.168%0.67514%0.144SC*.G310 helixtrans-59.9-29.1-179.8-168.7-177.3-67.8-179.9-2.1112.7I7 C20 L24 Q25I7-R22 HydrophobicContact CD1-CB 4.12Å; I7-R22 HydrophobicContact CD1-CG 3.73Å; C20-R22 PolarHBondContact O-N 3.04Å; R22-L24 PolarHBondContact O-N 3.43Å; R22-Q25 VanDerWaalsContact O-CB 3.32Å; R22-Q25 WeakPolarHBondContact O-CB 3.21Å; R22-Q25 WeakPolarHBondContact O-CG 3.37Å; R22-Q25 PolarHBondContact O-N 3.14Å
23A94.8Very high96.5Very high1 Ų126 Ų261%0.00812%0.122CC..G310 helixtrans-63.1-22.7178.500000112.5I7 S15 Y18 C20 D21 Q25 A26 F29I7-A23 HydrophobicContact CG1-CB 4.41Å; S15-A23 WeakPolarHBondContact OG-CB 3.42Å; Y18-A23 HydrophobicContact CD1-CB 3.87Å; Y18-A23 WeakPolarHBondContact O-CB 3.43Å; C20-A23 VanDerWaalsContact O-CB 3.27Å; C20-A23 WeakPolarHBondContact O-CB 3.49Å; C20-A23 PolarHBondContact O-N 3.47Å; D21-A23 PolarHBondContact O-N 3.14Å; A23-Q25 PolarHBondContact O-N 3.44Å; A23-A26 VanDerWaalsContact O-CB 3.25Å; A23-A26 WeakPolarHBondContact O-CB 3.3Å; A23-A26 PolarHBondContact O-N 3.39Å; A23-F29 WeakPolarHBondContact O-CE1 3.47Å
24L95.4Very high96.5Very high35 Ų3526.3 Ų26.318%0.18312%0.123CC..G310 helixtrans-69.5-10.6175.4-65.8171.4000114.1F19 D21 R22 V46 F47 K50F19-L24 WeakPolarHBondContact O-CD2 3.49Å; D21-L24 WeakPolarHBondContact O-CB 3.08Å; D21-L24 PolarHBondContact O-N 3.5Å; D21-L24 VanDerWaalsContact O-N 3.1Å; R22-L24 PolarHBondContact O-N 3.43Å; L24-V46 HydrophobicContact CD1-CG1 3.68Å; L24-F47 HydrophobicContact CD2-CB 4.23Å; L24-F47 HydrophobicContact CD2-CD2 3.67Å; L24-F47 HydrophobicContact CD2-CG 4.45Å; L24-K50 VanDerWaalsContact O-CE 3.27Å; L24-K50 WeakPolarHBondContact O-CE 3.38Å; L24-K50 PolarHBondContact O-NZ 3.21Å
25Q94Very high96.3Very high140 Ų14027.3 Ų27.365%0.65413%0.128SC*.G310 helixtrans-69.9-24.4171.9-64.3179.8-5.500112R22 A23 N96R22-Q25 VanDerWaalsContact O-CB 3.32Å; R22-Q25 WeakPolarHBondContact O-CB 3.21Å; R22-Q25 WeakPolarHBondContact O-CG 3.37Å; R22-Q25 PolarHBondContact O-N 3.14Å; A23-Q25 PolarHBondContact O-N 3.44Å; Q25-N96 PolarHBondContact O-ND2 3.14Å
26A95.5Very high96Very high2 Ų231 Ų312%0.01715%0.154CC..  trans-59.9161.7173.400000111.9F13 A23 F29 K50F13-A26 WeakPolarHBondContact O-CA 3.38Å; F13-A26 WeakPolarHBondContact O-CB 3.34Å; A23-A26 VanDerWaalsContact O-CB 3.25Å; A23-A26 WeakPolarHBondContact O-CB 3.3Å; A23-A26 PolarHBondContact O-N 3.39Å; A26-F29 HydrophobicContact CB-CE1 4.03Å; A26-F29 HydrophobicContact CB-CZ 4.1Å; A26-F29 WeakPolarHBondContact O-CE2 3.4Å; A26-F29 VanDerWaalsContact O-CZ 3.28Å; A26-F29 WeakPolarHBondContact O-CZ 3.44Å; A26-K50 WeakPolarHBondContact O-CE 3.49Å; A26-K50 PolarHBondContact O-NZ 3.27Å
27C95.2Very high95.7Very high4 Ų432.4 Ų32.43%0.02716%0.161CC..SBendtrans-115.5-24.7171.560.70000112.4F13 G55 A56 T57 T95F13-C27 PolarHBondContact O-N 3.25Å; C27-G55 VanDerWaalsContact CB-O 3.3Å; C27-G55 WeakPolarHBondContact CB-O 3.25Å; C27-A56 CarbonylContact O-C 3.53Å; C27-A56 WeakPolarHBondContact O-CA 3.45Å; C27-A56 WeakPolarHBondContact O-CB 3.21Å; C27-T57 PolarHBondContact O-N 3.26Å; C27-T95 WeakPolarHBondContact CB-OG1 3.4Å
28A97.3Very high95.5Very high2 Ų232.4 Ų32.42%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-106.512117400000109.7F13 I14 S15 F30 F59 V92F13-A28 PolarHBondContact O-N 2.94Å; I14-A28 CarbonylContact C-O 3.01Å; I14-A28 VanDerWaalsContact CA-O 3.29Å; I14-A28 WeakPolarHBondContact CA-O 3.37Å; I14-A28 HydrophobicContact CG1-CB 4.2Å; S15-A28 PolarHBondContact N-O 2.86Å; A28-F30 HydrophobicContact CB-CE2 4.06Å; A28-F59 HydrophobicContact CB-CD2 4.38Å; A28-F59 HydrophobicContact CB-CE2 3.92Å; A28-V92 HydrophobicContact CB-CG1 3.46Å; A28-V92 VanDerWaalsContact CB-CG1 3.46Å
29F98.5Very high95.5Very high0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-114.1134.7-177.3-66-82000109.2S15 F19 A23 A26 F47 K50 L51 A56 T57 L58 F59S15-F29 CarbonylContact O-C 3.41Å; S15-F29 WeakPolarHBondContact O-CA 3.39Å; F19-F29 HydrophobicContact CD1-CB 4.18Å; F19-F29 AromaticContact CD1-CD1 3.83Å; F19-F29 HydrophobicContact CD1-CD1 3.83Å; F19-F29 HydrophobicContact CD1-CG 4.35Å; F19-F29 HydrophobicContact CE1-CB 3.96Å; F19-F29 HydrophobicContact CE1-CD1 4.33Å; A23-F29 WeakPolarHBondContact O-CE1 3.47Å; A26-F29 HydrophobicContact CB-CE1 4.03Å; A26-F29 HydrophobicContact CB-CZ 4.1Å; A26-F29 WeakPolarHBondContact O-CE2 3.4Å; A26-F29 VanDerWaalsContact O-CZ 3.28Å; A26-F29 WeakPolarHBondContact O-CZ 3.44Å; F29-F47 HydrophobicContact CB-CE2 4.23Å; F29-F47 HydrophobicContact CB-CZ 4.09Å; F29-F47 AromaticContact CD1-CE2 3.6Å; F29-F47 HydrophobicContact CD1-CE2 3.6Å; F29-F47 HydrophobicContact CD1-CZ 4.27Å; F29-F47 AromaticContact CD2-CE2 3.81Å; F29-F47 HydrophobicContact CD2-CE2 3.81Å; F29-F47 HydrophobicContact CD2-CZ 4.28Å; F29-F47 HydrophobicContact CE1-CD2 4.43Å; F29-F47 AromaticContact CE1-CE2 3.8Å; F29-F47 HydrophobicContact CE1-CE2 3.8Å; F29-F47 HydrophobicContact CE2-CE2 4.01Å; F29-F47 AromaticContact CG-CE2 3.6Å; F29-F47 HydrophobicContact CG-CE2 3.6Å; F29-F47 AromaticContact CG-CZ 3.95Å; F29-F47 HydrophobicContact CG-CZ 3.95Å; F29-F47 HydrophobicContact CZ-CE2 4.01Å; F29-K50 HydrophobicContact CE2-CG 4.02Å; F29-K50 HydrophobicContact CZ-CG 4.09Å; F29-L51 HydrophobicContact CD2-CD2 4.32Å; F29-A56 HydrophobicContact CD2-CB 4.35Å; F29-A56 HydrophobicContact CE2-CB 3.93Å; F29-T57 PolarHBondContact N-O 2.65Å; F29-L58 HydrophobicContact CB-CD1 3.92Å; F29-L58 CarbonylContact O-C 3.56Å; F29-L58 WeakPolarHBondContact O-CA 3.23Å; F29-F59 PolarHBondContact O-N 3.02Å
30F98.8Very high95.3Very high1 Ų133.3 Ų33.30%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-123138179.2-70.9-101.3000110.9I14 S15 V16 D17 F19 A28 F59 F90 V92 V105 L119 F121I14-F30 HydrophobicContact CG2-CD2 3.63Å; I14-F30 HydrophobicContact CG2-CE2 3.75Å; S15-F30 PolarHBondContact O-N 2.62Å; V16-F30 WeakPolarHBondContact CA-O 3.29Å; V16-F30 HydrophobicContact CB-CB 4.4Å; V16-F30 HydrophobicContact CG1-CB 4.06Å; V16-F30 HydrophobicContact CG2-CB 4.12Å; D17-F30 PolarHBondContact N-O 2.91Å; F19-F30 WeakPolarHBondContact CZ-O 3.47Å; A28-F30 HydrophobicContact CB-CE2 4.06Å; F30-F59 VanDerWaalsContact CA-O 3.3Å; F30-F59 WeakPolarHBondContact CA-O 3.42Å; F30-F59 HydrophobicContact CD1-CB 3.45Å; F30-F59 VanDerWaalsContact CD1-CB 3.45Å; F30-F59 HydrophobicContact CD1-CG 4.32Å; F30-F59 HydrophobicContact CD2-CB 4.46Å; F30-F59 HydrophobicContact CD2-CD2 4.37Å; F30-F59 HydrophobicContact CE1-CB 3.36Å; F30-F59 HydrophobicContact CE1-CD2 4.18Å; F30-F59 AromaticContact CE1-CG 3.81Å; F30-F59 HydrophobicContact CE1-CG 3.81Å; F30-F59 HydrophobicContact CE2-CB 4.4Å; F30-F59 AromaticContact CE2-CD2 3.88Å; F30-F59 HydrophobicContact CE2-CD2 3.88Å; F30-F59 HydrophobicContact CE2-CG 4.35Å; F30-F59 HydrophobicContact CG-CB 4.02Å; F30-F59 HydrophobicContact CZ-CB 3.87Å; F30-F59 AromaticContact CZ-CD2 3.76Å; F30-F59 HydrophobicContact CZ-CD2 3.76Å; F30-F59 HydrophobicContact CZ-CE2 4.43Å; F30-F59 AromaticContact CZ-CG 3.83Å; F30-F59 HydrophobicContact CZ-CG 3.83Å; F30-F90 HydrophobicContact CE1-CE2 4.43Å; F30-F90 HydrophobicContact CE1-CZ 4.04Å; F30-F90 HydrophobicContact CZ-CE2 4.48Å; F30-F90 HydrophobicContact CZ-CZ 4.5Å; F30-V92 HydrophobicContact CZ-CG2 4.19Å; F30-V105 HydrophobicContact CE1-CB 4.46Å; F30-V105 HydrophobicContact CE1-CG1 3.7Å; F30-V105 HydrophobicContact CZ-CB 4.3Å; F30-V105 HydrophobicContact CZ-CG1 3.9Å; F30-V105 HydrophobicContact CZ-CG2 3.97Å; F30-L119 HydrophobicContact CB-CD1 3.6Å; F30-L119 HydrophobicContact CD1-CD1 3.99Å; F30-L119 HydrophobicContact CD1-CD2 3.82Å; F30-L119 HydrophobicContact CE1-CD2 4.39Å; F30-L119 HydrophobicContact CG-CD1 3.94Å; F30-F121 HydrophobicContact CD2-CE1 4.43Å; F30-F121 HydrophobicContact CE2-CE1 4.13Å; F30-F121 HydrophobicContact CZ-CE1 4.28Å
31L98.8Very high95.4Very high1 Ų132.7 Ų32.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-111.1114.4166.3-176.366.5000108.8F19 H33 H38 M39 L42 F59 M60 T64 M68F19-L31 HydrophobicContact CE2-CD1 4.19Å; F19-L31 HydrophobicContact CZ-CB 4.31Å; F19-L31 HydrophobicContact CZ-CD1 4.22Å; L31-H33 VanDerWaalsContact CD1-O 3.31Å; L31-H33 WeakPolarHBondContact CD1-O 3.19Å; L31-H33 WeakPolarHBondContact CG-O 3.38Å; L31-H38 HydrophobicContact CD1-CB 4.49Å; L31-H38 WeakPolarHBondContact CD1-O 3.48Å; L31-M39 HydrophobicContact CD1-CG 3.77Å; L31-M39 HydrophobicContact CD2-CG 4.45Å; L31-L42 HydrophobicContact CD2-CD2 4.26Å; L31-F59 PolarHBondContact N-O 3.37Å; L31-M60 HydrophobicContact CB-CB 4.25Å; L31-M60 HydrophobicContact CB-CE 4.23Å; L31-M60 HydrophobicContact CD2-CE 4.32Å; L31-T64 HydrophobicContact CD2-CG2 3.89Å; L31-T64 HydrophobicContact CG-CG2 4.23Å; L31-M68 HydrophobicContact CD2-SD 4.07Å
32S98.5Very high95.5Very high0 Ų027 Ų270%014%0.141CC..  trans-70.7-35.5-178.768.40000112D17 S116 V117D17-S32 WeakPolarHBondContact OD1-CB 3.49Å; D17-S32 PolarHBondContact OD1-N 3.29Å; D17-S32 PolarHBondContact OD1-OG 3.45Å; D17-S32 VanDerWaalsContact OD1-OG 3.06Å; D17-S32 WeakPolarHBondContact OD2-CB 3.44Å; D17-S32 PolarHBondContact OD2-OG 2.87Å; S32-S116 WeakPolarHBondContact O-CA 3.29Å; S32-V117 WeakPolarHBondContact CB-O 3.4Å; S32-V117 WeakPolarHBondContact O-CG2 3.34Å; S32-V117 PolarHBondContact O-N 3.24Å
33H97.7Very high95.5Very high0 Ų022.6 Ų22.60%013%0.128CC..SBendtrans-165.2164.9178.163.8-70.4000112.2L31 H35 H38 H112 D133L31-H33 VanDerWaalsContact CD1-O 3.31Å; L31-H33 WeakPolarHBondContact CD1-O 3.19Å; L31-H33 WeakPolarHBondContact CG-O 3.38Å; H33-H35 AromaticContact CD2-CD2 3.53Å; H33-H35 AromaticContact CD2-CG 3.42Å; H33-H35 VanDerWaalsContact CD2-CG 3.42Å; H33-H35 AromaticContact CD2-ND1 3.96Å; H33-H35 WeakPolarHBondContact NE2-CB 3.26Å; H33-H35 AromaticContact NE2-CG 3.61Å; H33-H35 AromaticContact NE2-ND1 3.87Å; H33-H35 PolarHBondContact O-N 3Å; H33-H35 VanDerWaalsContact O-N 3.12Å; H33-H38 AromaticContact CE1-CD2 3.49Å; H33-H38 PolarHBondContact CE1-CD2 2.97Å; H33-H38 VanDerWaalsContact CE1-CD2 3.49Å; H33-H38 AromaticContact CE1-CE1 3.53Å; H33-H38 AromaticContact CE1-CG 3.43Å; H33-H38 VanDerWaalsContact CE1-CG 3.43Å; H33-H38 AromaticContact CE1-ND1 3.44Å; H33-H38 PolarHBondContact CE1-ND1 3.29Å; H33-H38 AromaticContact CE1-NE2 3.63Å; H33-H38 AromaticContact NE2-CD2 3.65Å; H33-H38 AromaticContact NE2-CG 3.95Å; H33-H38 AromaticContact NE2-NE2 3.98Å; H33-H112 AromaticContact CD2-CD2 3.65Å; H33-H112 AromaticContact CD2-NE2 3.96Å; H33-H112 AromaticContact NE2-CD2 3.81Å; H33-H112 AromaticContact NE2-NE2 3.85Å; H33-D133 IonicContact CE1-OD2 3.84Å; H33-D133 IonicContact NE2-OD2 2.99Å
34F95.2Very high95.6Very high12 Ų1224.3 Ų24.35%0.05314%0.14CC..SBendtrans-89.560.8-173.4-170.2-133.9000113.2M39 T64 L67 M68 D71 Y74 Y207F34-M39 HydrophobicContact CD2-CE 3.51Å; F34-M39 HydrophobicContact CD2-SD 3.52Å; F34-M39 VanDerWaalsContact CD2-SD 3.52Å; F34-M39 HydrophobicContact CE2-CE 3.24Å; F34-M39 HydrophobicContact CE2-SD 3.82Å; F34-M39 HydrophobicContact CG-SD 4.48Å; F34-M39 HydrophobicContact CZ-CE 4.39Å; F34-T64 HydrophobicContact CB-CG2 4.29Å; F34-L67 HydrophobicContact CB-CB 4.5Å; F34-L67 HydrophobicContact CD1-CB 3.81Å; F34-L67 HydrophobicContact CE1-CB 4.45Å; F34-L67 HydrophobicContact CG-CB 4.43Å; F34-M68 HydrophobicContact CD2-CB 3.88Å; F34-M68 HydrophobicContact CD2-CG 4.03Å; F34-M68 HydrophobicContact CE2-CB 3.82Å; F34-M68 HydrophobicContact CE2-CG 3.67Å; F34-M68 HydrophobicContact CG-CB 4.41Å; F34-M68 HydrophobicContact CZ-CB 4.34Å; F34-M68 HydrophobicContact CZ-CG 4.4Å; F34-D71 HydrophobicContact CZ-CB 4.22Å; F34-Y74 AromaticContact CE2-CD2 3.77Å; F34-Y74 HydrophobicContact CE2-CD2 3.77Å; F34-Y74 AromaticContact CE2-CE2 3.53Å; F34-Y74 HydrophobicContact CE2-CE2 3.53Å; F34-Y74 AromaticContact CZ-CD2 3.91Å; F34-Y74 HydrophobicContact CZ-CD2 3.91Å; F34-Y74 AromaticContact CZ-CE2 3.68Å; F34-Y74 HydrophobicContact CZ-CE2 3.68Å; F34-Y207 AromaticContact CD1-CD2 3.96Å; F34-Y207 HydrophobicContact CD1-CD2 3.96Å; F34-Y207 AromaticContact CD1-CE2 3.21Å; F34-Y207 HydrophobicContact CD1-CE2 3.21Å; F34-Y207 AromaticContact CD1-CZ 3.76Å; F34-Y207 AromaticContact CE1-CE2 3.56Å; F34-Y207 HydrophobicContact CE1-CE2 3.56Å; F34-Y207 AromaticContact CE1-CZ 3.97Å; F34-Y207 HydrophobicContact CG-CE2 4.28Å; F34-Y207 WeakPolarHBondContact O-CD2 3.2Å
35H93.8Very high95.7Very high20 Ų2028 Ų289%0.09316%0.159CC..  trans-116.7138.1172.6-79.4-152.1000111.5H33 D37 H38 M39 H112H33-H35 AromaticContact CD2-CD2 3.53Å; H33-H35 AromaticContact CD2-CG 3.42Å; H33-H35 VanDerWaalsContact CD2-CG 3.42Å; H33-H35 AromaticContact CD2-ND1 3.96Å; H33-H35 WeakPolarHBondContact NE2-CB 3.26Å; H33-H35 AromaticContact NE2-CG 3.61Å; H33-H35 AromaticContact NE2-ND1 3.87Å; H33-H35 PolarHBondContact O-N 3Å; H33-H35 VanDerWaalsContact O-N 3.12Å; H35-D37 VanDerWaalsContact C-N 3.27Å; H35-D37 PolarHBondContact O-N 2.9Å; H35-D37 VanDerWaalsContact O-N 3.11Å; H35-H38 PolarHBondContact O-N 3.3Å; H35-M39 VanDerWaalsContact C-SD 3.6Å; H35-M39 VanDerWaalsContact O-CG 3.28Å; H35-M39 WeakPolarHBondContact O-CG 3.38Å; H35-M39 VanDerWaalsContact O-SD 3.38Å; H35-H112 AromaticContact CE1-CD2 3.84Å; H35-H112 AromaticContact CE1-CE1 3.89Å; H35-H112 AromaticContact CE1-NE2 2.91Å; H35-H112 PolarHBondContact CE1-NE2 3.06Å; H35-H112 AromaticContact ND1-NE2 3.42Å; H35-H112 PolarHBondContact ND1-NE2 3.1Å; H35-H112 AromaticContact NE2-NE2 3.61Å
36S91.5Very high95.8Very high77 Ų7726 Ų2654%0.53816%0.157SC..G310 helixtrans-57.2-31.9-170.259.60000115.2H38 M39S36-H38 PolarHBondContact O-N 3.27Å; S36-M39 PolarHBondContact O-N 3.43Å
37D90.9Very high95.9Very high31 Ų3126 Ų2617%0.16616%0.156CC..G310 helixtrans-80.1-3.4179.555.3-42.7000114.8M1 H35M1-D37 WeakPolarHBondContact CA-OD2 3.12Å; M1-D37 HydrophobicContact CB-CB 4.37Å; M1-D37 HydrophobicContact CG-CB 4.12Å; M1-D37 PolarHBondContact N-OD2 2.8Å; H35-D37 VanDerWaalsContact C-N 3.27Å; H35-D37 PolarHBondContact O-N 2.9Å; H35-D37 VanDerWaalsContact O-N 3.11Å
38H95.3Very high96Very high1 Ų127.9 Ų27.91%0.00516%0.164CC..G310 helixtrans-104.98170.7-68.3-104000112.2D17 F19 L31 H33 H35 S36 D133D17-H38 CarbonylContact C-O 3.48Å; D17-H38 VanDerWaalsContact C-O 3.28Å; D17-H38 WeakPolarHBondContact CA-O 3.41Å; D17-H38 HydrophobicContact CB-CB 3.8Å; D17-H38 CarbonylContact O-C 3.39Å; D17-H38 VanDerWaalsContact O-C 3.28Å; D17-H38 IonicContact OD2-CE1 3Å; D17-H38 IonicContact OD2-CG 3.67Å; D17-H38 IonicContact OD2-ND1 4Å; D17-H38 PolarHBondContact OD2-ND1 3.15Å; F19-H38 WeakPolarHBondContact CE2-O 3.44Å; L31-H38 HydrophobicContact CD1-CB 4.49Å; L31-H38 WeakPolarHBondContact CD1-O 3.48Å; H33-H38 AromaticContact CE1-CD2 3.49Å; H33-H38 PolarHBondContact CE1-CD2 2.97Å; H33-H38 VanDerWaalsContact CE1-CD2 3.49Å; H33-H38 AromaticContact CE1-CE1 3.53Å; H33-H38 AromaticContact CE1-CG 3.43Å; H33-H38 VanDerWaalsContact CE1-CG 3.43Å; H33-H38 AromaticContact CE1-ND1 3.44Å; H33-H38 PolarHBondContact CE1-ND1 3.29Å; H33-H38 AromaticContact CE1-NE2 3.63Å; H33-H38 AromaticContact NE2-CD2 3.65Å; H33-H38 AromaticContact NE2-CG 3.95Å; H33-H38 AromaticContact NE2-NE2 3.98Å; H35-H38 PolarHBondContact O-N 3.3Å; S36-H38 PolarHBondContact O-N 3.27Å; H38-D133 IonicContact CE1-OD1 3.77Å; H38-D133 PolarHBondContact CE1-OD1 3.42Å; H38-D133 VanDerWaalsContact CE1-OD1 3.28Å; H38-D133 IonicContact NE2-OD1 3.82Å; H38-D133 PolarHBondContact NE2-OD1 3.1Å; H38-D133 IonicContact NE2-OD2 2.65Å; H38-D133 PolarHBondContact NE2-OD2 3.34Å
39M95.3Very high96Very high12 Ų1231.6 Ų31.66%0.05918%0.181CC..  trans-123.615.5-171.5-62.9166.565.100113.2L31 F34 H35 S36 G41 L42 Y74L31-M39 HydrophobicContact CD1-CG 3.77Å; L31-M39 HydrophobicContact CD2-CG 4.45Å; F34-M39 HydrophobicContact CD2-CE 3.51Å; F34-M39 HydrophobicContact CD2-SD 3.52Å; F34-M39 VanDerWaalsContact CD2-SD 3.52Å; F34-M39 HydrophobicContact CE2-CE 3.24Å; F34-M39 HydrophobicContact CE2-SD 3.82Å; F34-M39 HydrophobicContact CG-SD 4.48Å; F34-M39 HydrophobicContact CZ-CE 4.39Å; H35-M39 VanDerWaalsContact C-SD 3.6Å; H35-M39 VanDerWaalsContact O-CG 3.28Å; H35-M39 WeakPolarHBondContact O-CG 3.38Å; H35-M39 VanDerWaalsContact O-SD 3.38Å; S36-M39 PolarHBondContact O-N 3.43Å; M39-G41 PolarHBondContact O-N 2.93Å; M39-G41 VanDerWaalsContact O-N 3.15Å; M39-L42 HydrophobicContact CB-CB 4.25Å; M39-L42 HydrophobicContact CB-CD2 4.19Å; M39-L42 HydrophobicContact CE-CD2 3.72Å; M39-L42 HydrophobicContact CG-CD2 4.13Å; M39-L42 WeakPolarHBondContact O-CB 3.48Å; M39-L42 PolarHBondContact O-N 2.87Å; M39-Y74 HydrophobicContact CE-CD1 4.21Å; M39-Y74 HydrophobicContact CE-CD2 4.38Å; M39-Y74 HydrophobicContact CE-CE1 3.4Å; M39-Y74 VanDerWaalsContact CE-CE1 3.4Å; M39-Y74 HydrophobicContact CE-CE2 3.65Å; M39-Y74 WeakPolarHBondContact CE-OH 3.41Å
40A94.5Very high95.8Very high32 Ų3233.8 Ų33.826%0.26419%0.191SC..BIsolated β-bridgetrans-58.5122179.400000110.4Y18 F19Y18-A40 HydrophobicContact CD2-CB 3.85Å; Y18-A40 HydrophobicContact CE2-CB 3.93Å; F19-A40 WeakPolarHBondContact CA-O 3.32Å; F19-A40 WeakPolarHBondContact CB-O 3.46Å; F19-A40 PolarHBondContact N-O 3.39Å
41G96.1Very high95.7Very high18 Ų1833.9 Ų33.919%0.18619%0.191CC..THydrogen-bonded Turntrans91.1-13.8-178.300000115.3C20 M39 E43 S44 F47C20-G41 WeakPolarHBondContact SG-CA 3.28Å; C20-G41 PolarHBondContact SG-N 3.31Å; C20-G41 VanDerWaalsContact SG-N 3.44Å; M39-G41 PolarHBondContact O-N 2.93Å; M39-G41 VanDerWaalsContact O-N 3.15Å; G41-E43 VanDerWaalsContact C-N 3.27Å; G41-E43 PolarHBondContact O-N 3.17Å; G41-S44 WeakPolarHBondContact O-CB 3.16Å; G41-S44 PolarHBondContact O-N 2.79Å; G41-S44 PolarHBondContact O-OG 3.37Å; G41-F47 WeakPolarHBondContact O-CB 3.32Å
42L95.6Very high95.6Very high0 Ų040.7 Ų40.70%022%0.217CC..THydrogen-bonded Turntrans-63-33.4-175.3-163.273.1000112.5F19 L31 M39 S44 F47 L58 M68 Y74 L77F19-L42 HydrophobicContact CD1-CD1 4.06Å; F19-L42 HydrophobicContact CD2-CB 3.89Å; F19-L42 HydrophobicContact CD2-CD1 3.74Å; F19-L42 HydrophobicContact CD2-CG 4.4Å; F19-L42 HydrophobicContact CE1-CD1 4.04Å; F19-L42 HydrophobicContact CE2-CB 4.32Å; F19-L42 HydrophobicContact CE2-CD1 3.73Å; F19-L42 HydrophobicContact CE2-CG 4.48Å; F19-L42 HydrophobicContact CG-CB 4.47Å; F19-L42 HydrophobicContact CG-CD1 3.92Å; F19-L42 HydrophobicContact CZ-CD1 3.88Å; L31-L42 HydrophobicContact CD2-CD2 4.26Å; M39-L42 HydrophobicContact CB-CB 4.25Å; M39-L42 HydrophobicContact CB-CD2 4.19Å; M39-L42 HydrophobicContact CE-CD2 3.72Å; M39-L42 HydrophobicContact CG-CD2 4.13Å; M39-L42 WeakPolarHBondContact O-CB 3.48Å; M39-L42 PolarHBondContact O-N 2.87Å; L42-S44 VanDerWaalsContact C-N 3.34Å; L42-F47 HydrophobicContact CD1-CD1 4.09Å; L42-F47 HydrophobicContact CD1-CE1 3.5Å; L42-F47 HydrophobicContact CD1-CZ 4.2Å; L42-F47 HydrophobicContact CG-CE1 4.49Å; L42-L58 HydrophobicContact CD1-CD1 4.32Å; L42-L58 HydrophobicContact CD1-CD2 4.04Å; L42-M68 HydrophobicContact CD2-SD 3.83Å; L42-Y74 HydrophobicContact CD2-CD1 4.06Å; L42-Y74 HydrophobicContact CD2-CE1 4.06Å; L42-Y74 HydrophobicContact CG-CD1 4.47Å; L42-L77 HydrophobicContact CD1-CD1 4.24Å; L42-L77 HydrophobicContact CD2-CD1 4.4Å; L42-L77 HydrophobicContact CG-CD1 3.89Å
43E94Very high95.3Very high86 Ų8645 Ų4540%0.40225%0.246SC..THydrogen-bonded Turntrans-84.9-1.5174.7-59.8-175.2-147.800113.6G41 R73 Y74 R76G41-E43 VanDerWaalsContact C-N 3.27Å; G41-E43 PolarHBondContact O-N 3.17Å; E43-R73 IonicContact OE1-CZ 3.69Å; E43-R73 IonicContact OE1-NE 3.97Å; E43-R73 IonicContact OE1-NH1 3.84Å; E43-R73 PolarHBondContact OE1-NH1 3.41Å; E43-Y74 HydrophobicContact CG-CD1 4.02Å; E43-Y74 HydrophobicContact CG-CE1 3.26Å; E43-Y74 PolarHBondContact OE1-OH 3.26Å; E43-R76 PolarHBondContact O-NH2 2.93Å
44S96.1Very high94.7Very high37 Ų3747.1 Ų47.126%0.25927%0.269SS..  trans-73.2144-176.475.90000111.5G41 L42 V46 F47 F48 R76G41-S44 WeakPolarHBondContact O-CB 3.16Å; G41-S44 PolarHBondContact O-N 2.79Å; G41-S44 PolarHBondContact O-OG 3.37Å; L42-S44 VanDerWaalsContact C-N 3.34Å; S44-V46 PolarHBondContact O-N 3.13Å; S44-F47 PolarHBondContact O-N 3.1Å; S44-F47 VanDerWaalsContact OG-CB 3.26Å; S44-F47 WeakPolarHBondContact OG-CB 3.38Å; S44-F47 PolarHBondContact OG-N 2.88Å; S44-F48 PolarHBondContact O-N 2.99Å; S44-F48 VanDerWaalsContact O-N 3.14Å; S44-R76 PolarHBondContact O-NH2 2.7Å
45N96.7Very high94.4Very high112 Ų11248.6 Ų48.660%0.59929%0.287SS*.Hα-helixtrans-63.4-31.7172-70.9-14.5000111.3F47 F48 E49 R76N45-F47 PolarHBondContact O-N 3.05Å; N45-F48 PolarHBondContact O-N 2.79Å; N45-E49 WeakPolarHBondContact O-CB 3.38Å; N45-E49 VanDerWaalsContact O-CG 3.31Å; N45-E49 WeakPolarHBondContact O-CG 3.39Å; N45-E49 PolarHBondContact O-N 2.86Å; N45-R76 PolarHBondContact OD1-NH1 3.25Å
46V96.9Very high94.4Very high99 Ų9948.1 Ų48.160%0.629%0.287SS*.Hα-helixtrans-61.2-46.3177.2-175.80000111.1L24 S44 E49 K50L24-V46 HydrophobicContact CD1-CG1 3.68Å; S44-V46 PolarHBondContact O-N 3.13Å; V46-E49 PolarHBondContact O-N 2.79Å; V46-K50 PolarHBondContact O-N 3.43Å
47F97.6Very high94.7Very high0 Ų046.9 Ų46.90%028%0.276CS..Hα-helixtrans-66.3-40.3176.6-177.4-114000112.3F19 L24 F29 G41 L42 S44 N45 E49 K50 L51 L58F19-F47 HydrophobicContact CB-CD1 4.45Å; F19-F47 HydrophobicContact CB-CD2 3.92Å; F19-F47 HydrophobicContact CB-CE2 4.11Å; F19-F47 HydrophobicContact CB-CG 4.1Å; F19-F47 HydrophobicContact CB-CZ 4.45Å; F19-F47 HydrophobicContact CD1-CD2 4.42Å; F19-F47 HydrophobicContact CD1-CE1 4.24Å; F19-F47 AromaticContact CD1-CE2 3.75Å; F19-F47 HydrophobicContact CD1-CE2 3.75Å; F19-F47 AromaticContact CD1-CZ 3.63Å; F19-F47 HydrophobicContact CD1-CZ 3.63Å; F19-F47 HydrophobicContact CE1-CZ 4.29Å; F19-F47 HydrophobicContact CG-CE2 4.32Å; F19-F47 HydrophobicContact CG-CZ 4.29Å; L24-F47 HydrophobicContact CD2-CB 4.23Å; L24-F47 HydrophobicContact CD2-CD2 3.67Å; L24-F47 HydrophobicContact CD2-CG 4.45Å; F29-F47 HydrophobicContact CB-CE2 4.23Å; F29-F47 HydrophobicContact CB-CZ 4.09Å; F29-F47 AromaticContact CD1-CE2 3.6Å; F29-F47 HydrophobicContact CD1-CE2 3.6Å; F29-F47 HydrophobicContact CD1-CZ 4.27Å; F29-F47 AromaticContact CD2-CE2 3.81Å; F29-F47 HydrophobicContact CD2-CE2 3.81Å; F29-F47 HydrophobicContact CD2-CZ 4.28Å; F29-F47 HydrophobicContact CE1-CD2 4.43Å; F29-F47 AromaticContact CE1-CE2 3.8Å; F29-F47 HydrophobicContact CE1-CE2 3.8Å; F29-F47 HydrophobicContact CE2-CE2 4.01Å; F29-F47 AromaticContact CG-CE2 3.6Å; F29-F47 HydrophobicContact CG-CE2 3.6Å; F29-F47 AromaticContact CG-CZ 3.95Å; F29-F47 HydrophobicContact CG-CZ 3.95Å; F29-F47 HydrophobicContact CZ-CE2 4.01Å; G41-F47 WeakPolarHBondContact O-CB 3.32Å; L42-F47 HydrophobicContact CD1-CD1 4.09Å; L42-F47 HydrophobicContact CD1-CE1 3.5Å; L42-F47 HydrophobicContact CD1-CZ 4.2Å; L42-F47 HydrophobicContact CG-CE1 4.49Å; S44-F47 PolarHBondContact O-N 3.1Å; S44-F47 VanDerWaalsContact OG-CB 3.26Å; S44-F47 WeakPolarHBondContact OG-CB 3.38Å; S44-F47 PolarHBondContact OG-N 2.88Å; N45-F47 PolarHBondContact O-N 3.05Å; F47-E49 PolarHBondContact O-N 2.84Å; F47-K50 WeakPolarHBondContact O-CB 3.25Å; F47-K50 PolarHBondContact O-N 3.04Å; F47-L51 HydrophobicContact CD1-CD1 4.15Å; F47-L51 HydrophobicContact CE1-CD1 3.58Å; F47-L51 HydrophobicContact CE1-CG 4.28Å; F47-L51 HydrophobicContact CE2-CG 4.43Å; F47-L51 HydrophobicContact CZ-CD1 3.83Å; F47-L51 HydrophobicContact CZ-CD2 4.22Å; F47-L51 HydrophobicContact CZ-CG 4.12Å; F47-L51 PolarHBondContact O-N 2.92Å; F47-L51 VanDerWaalsContact O-N 3.14Å; F47-L58 HydrophobicContact CE1-CD2 4.4Å; F47-L58 HydrophobicContact CZ-CD1 4.32Å
48F97.3Very high95Very high44 Ų4445.4 Ų45.419%0.19327%0.268CS..Hα-helixtrans-59.4-45.7174.7178.6-99.3000112.1S44 N45 K50 L51 R52 R76 L77 F80S44-F48 PolarHBondContact O-N 2.99Å; S44-F48 VanDerWaalsContact O-N 3.14Å; N45-F48 PolarHBondContact O-N 2.79Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.01Å; F48-L51 PolarHBondContact O-N 2.9Å; F48-R52 WeakPolarHBondContact O-CB 3.44Å; F48-R52 PolarHBondContact O-N 3.44Å; F48-R76 HydrophobicContact CD2-CG 4.06Å; F48-R76 HydrophobicContact CE2-CB 4.11Å; F48-R76 HydrophobicContact CE2-CG 4.12Å; F48-R76 WeakPolarHBondContact CE2-O 3.4Å; F48-L77 HydrophobicContact CD2-CD2 4.23Å; F48-F80 HydrophobicContact CD2-CE2 4.24Å; F48-F80 AromaticContact CE2-CE2 3.68Å; F48-F80 HydrophobicContact CE2-CE2 3.68Å; F48-F80 HydrophobicContact CE2-CZ 4.49Å; F48-F80 HydrophobicContact CZ-CE2 4.29Å
49E96.6Very high95.2Very high81 Ų8146 Ų4638%0.37927%0.271SS..Hα-helixtrans-64.1-36.2177.1-71.6-58.5124.300112.4N45 V46 F47 L51 R52 S53N45-E49 WeakPolarHBondContact O-CB 3.38Å; N45-E49 VanDerWaalsContact O-CG 3.31Å; N45-E49 WeakPolarHBondContact O-CG 3.39Å; N45-E49 PolarHBondContact O-N 2.86Å; V46-E49 PolarHBondContact O-N 2.79Å; F47-E49 PolarHBondContact O-N 2.84Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-R52 IonicContact OE1-CZ 3.07Å; E49-R52 IonicContact OE1-NE 2.74Å; E49-R52 PolarHBondContact OE1-NE 2.87Å; E49-R52 IonicContact OE1-NH2 3.25Å; E49-R52 IonicContact OE2-CZ 2.92Å; E49-R52 VanDerWaalsContact OE2-CZ 3.25Å; E49-R52 IonicContact OE2-NE 2.67Å; E49-R52 PolarHBondContact OE2-NE 3.15Å; E49-R52 VanDerWaalsContact OE2-NE 3.07Å; E49-R52 IonicContact OE2-NH2 3.27Å; E49-R52 PolarHBondContact OE2-NH2 2.73Å; E49-S53 WeakPolarHBondContact O-CB 3.17Å; E49-S53 PolarHBondContact O-N 2.8Å; E49-S53 PolarHBondContact O-OG 3.17Å
50K95.5Very high95.4Very high46 Ų4645.5 Ų45.520%0.227%0.269CS..Hα-helixtrans-59.7-39.4173.2172.664.2177.8-164.80112.7L24 A26 F29 V46 F47 F48 S53 A56L24-K50 VanDerWaalsContact O-CE 3.27Å; L24-K50 WeakPolarHBondContact O-CE 3.38Å; L24-K50 PolarHBondContact O-NZ 3.21Å; A26-K50 WeakPolarHBondContact O-CE 3.49Å; A26-K50 PolarHBondContact O-NZ 3.27Å; F29-K50 HydrophobicContact CE2-CG 4.02Å; F29-K50 HydrophobicContact CZ-CG 4.09Å; V46-K50 PolarHBondContact O-N 3.43Å; F47-K50 WeakPolarHBondContact O-CB 3.25Å; F47-K50 PolarHBondContact O-N 3.04Å; F48-K50 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 3.01Å; K50-S53 PolarHBondContact O-OG 3.36Å; K50-S53 VanDerWaalsContact O-OG 3.1Å; K50-A56 HydrophobicContact CD-CB 4.42Å; K50-A56 HydrophobicContact CG-CB 4.29Å
51L96.6Very high95.6Very high3 Ų344.6 Ų44.62%0.01626%0.259CS..Hα-helixtrans-73.1-42.8174.8-65172.3000111.1F29 F47 F48 E49 S53 G54 A56 L58 L77 F80F29-L51 HydrophobicContact CD2-CD2 4.32Å; F47-L51 HydrophobicContact CD1-CD1 4.15Å; F47-L51 HydrophobicContact CE1-CD1 3.58Å; F47-L51 HydrophobicContact CE1-CG 4.28Å; F47-L51 HydrophobicContact CE2-CG 4.43Å; F47-L51 HydrophobicContact CZ-CD1 3.83Å; F47-L51 HydrophobicContact CZ-CD2 4.22Å; F47-L51 HydrophobicContact CZ-CG 4.12Å; F47-L51 PolarHBondContact O-N 2.92Å; F47-L51 VanDerWaalsContact O-N 3.14Å; F48-L51 PolarHBondContact O-N 2.9Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 3Å; L51-S53 PolarHBondContact O-N 2.72Å; L51-G54 PolarHBondContact O-N 3.04Å; L51-A56 HydrophobicContact CD2-CB 4.11Å; L51-L58 HydrophobicContact CD1-CB 4.42Å; L51-L58 HydrophobicContact CD2-CB 4.32Å; L51-L77 HydrophobicContact CD1-CD2 3.93Å; L51-F80 HydrophobicContact CB-CB 4.09Å; L51-F80 HydrophobicContact CB-CD1 3.84Å; L51-F80 HydrophobicContact CB-CD2 4.14Å; L51-F80 HydrophobicContact CB-CE1 4.3Å; L51-F80 HydrophobicContact CB-CG 3.75Å; L51-F80 HydrophobicContact CD1-CB 3.91Å; L51-F80 HydrophobicContact CD1-CD2 4.35Å; L51-F80 HydrophobicContact CD1-CG 4.22Å; L51-F80 HydrophobicContact CD2-CB 4.42Å; L51-F80 HydrophobicContact CG-CB 4.37Å
52R95.8Very high95.6Very high144 Ų14447.1 Ų47.154%0.54327%0.265SS..Hα-helixtrans-67.5-32.4-176.8-166.1-176.67174.20.9113.5F48 E49 G54 F80F48-R52 WeakPolarHBondContact O-CB 3.44Å; F48-R52 PolarHBondContact O-N 3.44Å; E49-R52 PolarHBondContact O-N 3.01Å; E49-R52 IonicContact OE1-CZ 3.07Å; E49-R52 IonicContact OE1-NE 2.74Å; E49-R52 PolarHBondContact OE1-NE 2.87Å; E49-R52 IonicContact OE1-NH2 3.25Å; E49-R52 IonicContact OE2-CZ 2.92Å; E49-R52 VanDerWaalsContact OE2-CZ 3.25Å; E49-R52 IonicContact OE2-NE 2.67Å; E49-R52 PolarHBondContact OE2-NE 3.15Å; E49-R52 VanDerWaalsContact OE2-NE 3.07Å; E49-R52 IonicContact OE2-NH2 3.27Å; E49-R52 PolarHBondContact OE2-NH2 2.73Å; R52-G54 PolarHBondContact O-N 2.89Å; R52-G54 VanDerWaalsContact O-N 3.1Å; R52-F80 HydrophobicContact CB-CE1 4.47Å; R52-F80 HydrophobicContact CB-CZ 4.06Å; R52-F80 HydrophobicContact CG-CZ 4.29Å
53S92.5Very high95.6Very high89 Ų8949.3 Ų49.362%0.62228%0.276SS*.THydrogen-bonded Turntrans-65.1-9.6178.162.30000113.6E49 K50 L51E49-S53 WeakPolarHBondContact O-CB 3.17Å; E49-S53 PolarHBondContact O-N 2.8Å; E49-S53 PolarHBondContact O-OG 3.17Å; K50-S53 PolarHBondContact O-OG 3.36Å; K50-S53 VanDerWaalsContact O-OG 3.1Å; L51-S53 PolarHBondContact O-N 2.72Å
54G85.8Confident95.8Very high45 Ų4545.2 Ų45.246%0.46426%0.257SS..SBendtrans82.5164.8-173.800000112.1L51 R52 A56L51-G54 PolarHBondContact O-N 3.04Å; R52-G54 PolarHBondContact O-N 2.89Å; R52-G54 VanDerWaalsContact O-N 3.1Å; G54-A56 VanDerWaalsContact C-N 3.26Å; G54-A56 PolarHBondContact O-N 3.26Å
55G87.9Confident95.9Very high43 Ų4343.8 Ų43.844%0.44325%0.247SC..SBendtrans75.19.2-179.200000114.5C27 T95C27-G55 VanDerWaalsContact CB-O 3.3Å; C27-G55 WeakPolarHBondContact CB-O 3.25Å; G55-T95 WeakPolarHBondContact O-CB 3.39Å; G55-T95 WeakPolarHBondContact O-CG2 3.45Å; G55-T95 PolarHBondContact O-OG1 3.37Å
56A95Very high95.7Very high11 Ų1141.3 Ų41.39%0.09124%0.236CC..  trans-136.2147.4172.800000112.2C27 F29 K50 L51 G54C27-A56 CarbonylContact O-C 3.53Å; C27-A56 WeakPolarHBondContact O-CA 3.45Å; C27-A56 WeakPolarHBondContact O-CB 3.21Å; F29-A56 HydrophobicContact CD2-CB 4.35Å; F29-A56 HydrophobicContact CE2-CB 3.93Å; K50-A56 HydrophobicContact CD-CB 4.42Å; K50-A56 HydrophobicContact CG-CB 4.29Å; L51-A56 HydrophobicContact CD2-CB 4.11Å; G54-A56 VanDerWaalsContact C-N 3.26Å; G54-A56 PolarHBondContact O-N 3.26Å
57T96.4Very high95.6Very high50 Ų5036.9 Ų36.931%0.30721%0.209SC..EExtended strand (participates in β ladder)trans-138.8140-175.8-55.10000110.5C27 F29 F59 N82C27-T57 PolarHBondContact O-N 3.26Å; F29-T57 PolarHBondContact N-O 2.65Å; T57-F59 HydrophobicContact CG2-CD1 4.36Å; T57-F59 HydrophobicContact CG2-CD2 4.16Å; T57-F59 HydrophobicContact CG2-CE1 3.91Å; T57-F59 HydrophobicContact CG2-CE2 3.68Å; T57-F59 HydrophobicContact CG2-CG 4.47Å; T57-F59 HydrophobicContact CG2-CZ 3.54Å; T57-N82 HydrophobicContact CG2-CB 3.62Å
58L98.4Very high95.4Very high0 Ų036.9 Ų36.90%021%0.209CC..EExtended strand (participates in β ladder)trans-101.3116.6174177.362.8000110.1F19 F29 L42 F47 L51 M60 M68 L77 F80 I81 N82F19-L58 HydrophobicContact CE1-CD1 3.94Å; F19-L58 HydrophobicContact CZ-CD1 4.4Å; F29-L58 HydrophobicContact CB-CD1 3.92Å; F29-L58 CarbonylContact O-C 3.56Å; F29-L58 WeakPolarHBondContact O-CA 3.23Å; L42-L58 HydrophobicContact CD1-CD1 4.32Å; L42-L58 HydrophobicContact CD1-CD2 4.04Å; F47-L58 HydrophobicContact CE1-CD2 4.4Å; F47-L58 HydrophobicContact CZ-CD1 4.32Å; L51-L58 HydrophobicContact CD1-CB 4.42Å; L51-L58 HydrophobicContact CD2-CB 4.32Å; L58-M60 HydrophobicContact CD1-CE 4.13Å; L58-M60 HydrophobicContact CD2-CE 3.53Å; L58-M60 HydrophobicContact CG-CE 3.55Å; L58-M68 HydrophobicContact CD2-CE 4.45Å; L58-L77 HydrophobicContact CD2-CD1 4.26Å; L58-F80 PolarHBondContact N-O 3.35Å; L58-F80 VanDerWaalsContact N-O 3.16Å; L58-I81 HydrophobicContact CD2-CG1 4.31Å; L58-I81 CarbonylContact O-C 3.28Å; L58-I81 WeakPolarHBondContact O-CA 3.29Å; L58-N82 PolarHBondContact O-N 3.15Å
59F98.7Very high95.2Very high14 Ų1437 Ų376%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-103.8144.4-179.6-59.7-89.6000111.4A28 F29 F30 L31 T57 N82 W84 F90 V92A28-F59 HydrophobicContact CB-CD2 4.38Å; A28-F59 HydrophobicContact CB-CE2 3.92Å; F29-F59 PolarHBondContact O-N 3.02Å; F30-F59 VanDerWaalsContact CA-O 3.3Å; F30-F59 WeakPolarHBondContact CA-O 3.42Å; F30-F59 HydrophobicContact CD1-CB 3.45Å; F30-F59 VanDerWaalsContact CD1-CB 3.45Å; F30-F59 HydrophobicContact CD1-CG 4.32Å; F30-F59 HydrophobicContact CD2-CB 4.46Å; F30-F59 HydrophobicContact CD2-CD2 4.37Å; F30-F59 HydrophobicContact CE1-CB 3.36Å; F30-F59 HydrophobicContact CE1-CD2 4.18Å; F30-F59 AromaticContact CE1-CG 3.81Å; F30-F59 HydrophobicContact CE1-CG 3.81Å; F30-F59 HydrophobicContact CE2-CB 4.4Å; F30-F59 AromaticContact CE2-CD2 3.88Å; F30-F59 HydrophobicContact CE2-CD2 3.88Å; F30-F59 HydrophobicContact CE2-CG 4.35Å; F30-F59 HydrophobicContact CG-CB 4.02Å; F30-F59 HydrophobicContact CZ-CB 3.87Å; F30-F59 AromaticContact CZ-CD2 3.76Å; F30-F59 HydrophobicContact CZ-CD2 3.76Å; F30-F59 HydrophobicContact CZ-CE2 4.43Å; F30-F59 AromaticContact CZ-CG 3.83Å; F30-F59 HydrophobicContact CZ-CG 3.83Å; L31-F59 PolarHBondContact N-O 3.37Å; T57-F59 HydrophobicContact CG2-CD1 4.36Å; T57-F59 HydrophobicContact CG2-CD2 4.16Å; T57-F59 HydrophobicContact CG2-CE1 3.91Å; T57-F59 HydrophobicContact CG2-CE2 3.68Å; T57-F59 HydrophobicContact CG2-CG 4.47Å; T57-F59 HydrophobicContact CG2-CZ 3.54Å; F59-N82 VanDerWaalsContact CA-O 3.31Å; F59-N82 WeakPolarHBondContact CA-O 3.36Å; F59-N82 HydrophobicContact CD1-CB 3.78Å; F59-N82 HydrophobicContact CE1-CB 3.89Å; F59-W84 AromaticContact CD1-NE1 3.91Å; F59-F90 AromaticContact CD1-CE2 3.74Å; F59-F90 HydrophobicContact CD1-CE2 3.74Å; F59-F90 HydrophobicContact CD1-CZ 4.28Å; F59-F90 HydrophobicContact CE1-CD2 4.48Å; F59-F90 AromaticContact CE1-CE2 3.89Å; F59-F90 HydrophobicContact CE1-CE2 3.89Å; F59-V92 HydrophobicContact CE1-CG2 4.19Å; F59-V92 HydrophobicContact CE2-CG1 4.21Å; F59-V92 HydrophobicContact CE2-CG2 4.32Å; F59-V92 HydrophobicContact CZ-CG1 4.29Å; F59-V92 HydrophobicContact CZ-CG2 3.93Å
60M98.7Very high94.9Very high2 Ų235.4 Ų35.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-164.6173.7173.558.9-170.273.700111.2L31 L58 T64 A65 M68 I81 N82 S83 W84L31-M60 HydrophobicContact CB-CB 4.25Å; L31-M60 HydrophobicContact CB-CE 4.23Å; L31-M60 HydrophobicContact CD2-CE 4.32Å; L58-M60 HydrophobicContact CD1-CE 4.13Å; L58-M60 HydrophobicContact CD2-CE 3.53Å; L58-M60 HydrophobicContact CG-CE 3.55Å; M60-T64 HydrophobicContact CB-CG2 4.09Å; M60-T64 HydrophobicContact CG-CG2 4.44Å; M60-T64 HydrophobicContact SD-CG2 4.01Å; M60-A65 HydrophobicContact CG-CB 3.97Å; M60-A65 VanDerWaalsContact SD-CA 3.51Å; M60-A65 HydrophobicContact SD-CB 3.78Å; M60-M68 HydrophobicContact CE-CE 3.5Å; M60-M68 VanDerWaalsContact CE-CE 3.5Å; M60-M68 HydrophobicContact CE-SD 3.97Å; M60-M68 HydrophobicContact SD-CE 3.82Å; M60-M68 HydrophobicContact SD-SD 4.31Å; M60-I81 HydrophobicContact CE-CD1 4.48Å; M60-I81 HydrophobicContact CE-CG1 4.14Å; M60-I81 HydrophobicContact CE-CG2 4.25Å; M60-I81 HydrophobicContact CG-CG2 4.03Å; M60-I81 HydrophobicContact SD-CG2 4.11Å; M60-N82 PolarHBondContact N-O 3.35Å; M60-S83 CarbonylContact O-C 3.55Å; M60-S83 VanDerWaalsContact O-CA 3.24Å; M60-S83 WeakPolarHBondContact O-CA 3.41Å; M60-W84 PolarHBondContact O-N 3.33Å
61H98.5Very high94.5Very high13 Ų1333.2 Ų33.26%0.0620%0.2CC..EExtended strand (participates in β ladder)trans-67.3147.4169.5-171.1-102.9000111.8L63 T64 A65 W84 E85 L107 G115 V117H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 WeakPolarHBondContact ND1-CB 3.47Å; H61-L63 PolarHBondContact ND1-N 2.97Å; H61-L63 VanDerWaalsContact ND1-N 3.14Å; H61-L63 PolarHBondContact O-N 3.38Å; H61-T64 WeakPolarHBondContact O-CA 3.15Å; H61-T64 WeakPolarHBondContact O-CB 3.3Å; H61-T64 PolarHBondContact O-N 3.41Å; H61-A65 PolarHBondContact O-N 3.04Å; H61-W84 CarbonylContact C-O 3.54Å; H61-W84 WeakPolarHBondContact CA-O 3.48Å; H61-W84 PolarHBondContact CD2-O 2.87Å; H61-W84 VanDerWaalsContact CD2-O 3.32Å; H61-E85 IonicContact NE2-OE2 3.75Å; H61-L107 HydrophobicContact CB-CD2 4.01Å; H61-G115 WeakPolarHBondContact CB-O 3.45Å; H61-V117 HydrophobicContact CB-CG1 3.79Å; H61-V117 HydrophobicContact CB-CG2 4.33Å
62K97.4Very high94.1Very high71 Ų7140.3 Ų40.331%0.30923%0.233SC..Hα-helixtrans-54.2-44.5177.7-71-161.8-162.3156.20113.9T64 A65 T66 W84 E85K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 2.52Å; K62-A65 WeakPolarHBondContact O-CB 3.33Å; K62-A65 PolarHBondContact O-N 2.82Å; K62-T66 PolarHBondContact O-N 3.03Å; K62-T66 PolarHBondContact O-OG1 3.05Å; K62-W84 PolarHBondContact N-O 2.81Å; K62-E85 HydrophobicContact CD-CG 4.31Å; K62-E85 WeakPolarHBondContact CD-OE1 3.3Å; K62-E85 VanDerWaalsContact CE-OE1 3.24Å; K62-E85 WeakPolarHBondContact CE-OE1 3.45Å; K62-E85 IonicContact NZ-OE1 3.46Å; K62-E85 PolarHBondContact NZ-OE1 3.11Å
63L96Very high93.9Very high46 Ų4636.9 Ų36.924%0.24122%0.22CC..Hα-helixtrans-65.3-37.2176.9-67.6171.4000112H61 A65 T66 L67 I114 V237H61-L63 VanDerWaalsContact C-N 3.34Å; H61-L63 WeakPolarHBondContact ND1-CB 3.47Å; H61-L63 PolarHBondContact ND1-N 2.97Å; H61-L63 VanDerWaalsContact ND1-N 3.14Å; H61-L63 PolarHBondContact O-N 3.38Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 2.92Å; L63-T66 PolarHBondContact O-N 2.73Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.29Å; L63-I114 HydrophobicContact CB-CG1 4.42Å; L63-I114 HydrophobicContact CD1-CD1 4.07Å; L63-I114 HydrophobicContact CD1-CG1 3.79Å; L63-V237 HydrophobicContact CD2-CG2 3.96Å
64T97.6Very high94Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-62.9-40.8175-64.20000110.8L31 F34 M60 H61 K62 L67 M68 G115L31-T64 HydrophobicContact CD2-CG2 3.89Å; L31-T64 HydrophobicContact CG-CG2 4.23Å; F34-T64 HydrophobicContact CB-CG2 4.29Å; M60-T64 HydrophobicContact CB-CG2 4.09Å; M60-T64 HydrophobicContact CG-CG2 4.44Å; M60-T64 HydrophobicContact SD-CG2 4.01Å; H61-T64 WeakPolarHBondContact O-CA 3.15Å; H61-T64 WeakPolarHBondContact O-CB 3.3Å; H61-T64 PolarHBondContact O-N 3.41Å; K62-T64 VanDerWaalsContact C-N 3.32Å; K62-T64 PolarHBondContact O-N 2.52Å; T64-L67 PolarHBondContact O-N 3.07Å; T64-M68 VanDerWaalsContact O-CB 3.23Å; T64-M68 WeakPolarHBondContact O-CB 3.36Å; T64-M68 PolarHBondContact O-N 3.09Å; T64-G115 PolarHBondContact OG1-O 2.88Å
65A97.1Very high94.4Very high7 Ų737.1 Ų37.16%0.05820%0.197CC..Hα-helixtrans-61.5-46.7173.100000112M60 H61 K62 L63 L67 M68 L69 I81M60-A65 HydrophobicContact CG-CB 3.97Å; M60-A65 VanDerWaalsContact SD-CA 3.51Å; M60-A65 HydrophobicContact SD-CB 3.78Å; H61-A65 PolarHBondContact O-N 3.04Å; K62-A65 WeakPolarHBondContact O-CB 3.33Å; K62-A65 PolarHBondContact O-N 2.82Å; L63-A65 VanDerWaalsContact C-N 3.32Å; L63-A65 PolarHBondContact O-N 2.92Å; A65-L67 PolarHBondContact O-N 3.34Å; A65-M68 PolarHBondContact O-N 2.86Å; A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 VanDerWaalsContact O-CG 3.25Å; A65-L69 WeakPolarHBondContact O-CG 3.22Å; A65-L69 PolarHBondContact O-N 2.68Å; A65-I81 HydrophobicContact CB-CG2 3.92Å
66T94.5Very high94.8Very high60 Ų6039.1 Ų39.137%0.36819%0.191SC..Hα-helixtrans-57.9-47.1176.9-61.70000111.9K62 L63 S70 T236K62-T66 PolarHBondContact O-N 3.03Å; K62-T66 PolarHBondContact O-OG1 3.05Å; L63-T66 PolarHBondContact O-N 2.73Å; T66-S70 PolarHBondContact O-N 3.44Å; T66-S70 VanDerWaalsContact O-N 3.13Å; T66-T236 HydrophobicContact CG2-CG2 4.44Å
67L93.6Very high94.9Very high6 Ų638.6 Ų38.63%0.03119%0.187CC..Hα-helixtrans-64.5-45.9178.4-66.4172.7000111.4F34 L63 T64 A65 L69 S70 I114 Y207 A233F34-L67 HydrophobicContact CB-CB 4.5Å; F34-L67 HydrophobicContact CD1-CB 3.81Å; F34-L67 HydrophobicContact CE1-CB 4.45Å; F34-L67 HydrophobicContact CG-CB 4.43Å; L63-L67 VanDerWaalsContact O-CG 3.27Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 3.29Å; T64-L67 PolarHBondContact O-N 3.07Å; A65-L67 PolarHBondContact O-N 3.34Å; L67-L69 PolarHBondContact O-N 2.65Å; L67-S70 WeakPolarHBondContact O-CB 3.33Å; L67-S70 PolarHBondContact O-N 3.46Å; L67-S70 PolarHBondContact O-OG 3Å; L67-I114 HydrophobicContact CD1-CG2 3.64Å; L67-Y207 HydrophobicContact CD1-CD1 4.42Å; L67-Y207 HydrophobicContact CD1-CE1 4.34Å; L67-Y207 HydrophobicContact CD2-CD1 4.49Å; L67-Y207 HydrophobicContact CD2-CE1 3.77Å; L67-A233 HydrophobicContact CD2-CB 4.03Å; L67-A233 VanDerWaalsContact CD2-O 3.31Å; L67-A233 WeakPolarHBondContact CD2-O 3.43Å
68M93.5Very high94.9Very high0 Ų041.3 Ų41.30%020%0.195CC..Hα-helixtrans-62.5-44.2179.9-174.4179.575.600111.8L31 F34 L42 L58 M60 T64 A65 S70 D71 Y74 L77 I81L31-M68 HydrophobicContact CD2-SD 4.07Å; F34-M68 HydrophobicContact CD2-CB 3.88Å; F34-M68 HydrophobicContact CD2-CG 4.03Å; F34-M68 HydrophobicContact CE2-CB 3.82Å; F34-M68 HydrophobicContact CE2-CG 3.67Å; F34-M68 HydrophobicContact CG-CB 4.41Å; F34-M68 HydrophobicContact CZ-CB 4.34Å; F34-M68 HydrophobicContact CZ-CG 4.4Å; L42-M68 HydrophobicContact CD2-SD 3.83Å; L58-M68 HydrophobicContact CD2-CE 4.45Å; M60-M68 HydrophobicContact CE-CE 3.5Å; M60-M68 VanDerWaalsContact CE-CE 3.5Å; M60-M68 HydrophobicContact CE-SD 3.97Å; M60-M68 HydrophobicContact SD-CE 3.82Å; M60-M68 HydrophobicContact SD-SD 4.31Å; T64-M68 VanDerWaalsContact O-CB 3.23Å; T64-M68 WeakPolarHBondContact O-CB 3.36Å; T64-M68 PolarHBondContact O-N 3.09Å; A65-M68 PolarHBondContact O-N 2.86Å; M68-S70 VanDerWaalsContact C-N 3.26Å; M68-S70 PolarHBondContact O-N 2.95Å; M68-D71 PolarHBondContact O-N 3.29Å; M68-D71 VanDerWaalsContact O-N 3.1Å; M68-Y74 VanDerWaalsContact CG-CB 3.47Å; M68-Y74 HydrophobicContact CG-CD1 4.34Å; M68-Y74 HydrophobicContact CG-CD2 3.78Å; M68-Y74 HydrophobicContact CG-CG 3.6Å; M68-Y74 HydrophobicContact SD-CD1 4.45Å; M68-Y74 HydrophobicContact SD-CG 4.22Å; M68-L77 HydrophobicContact CE-CB 4.45Å; M68-L77 HydrophobicContact CE-CD1 4.39Å; M68-I81 HydrophobicContact CE-CD1 3.19Å; M68-I81 HydrophobicContact CE-CG1 3.91Å
69L93.8Very high94.8Very high47 Ų4746.3 Ų46.325%0.24623%0.228CC..Hα-helixtrans-73.7-14.5-179.9-67.2176.3000113.7A65 L67 D71 E78 I81A65-L69 VanDerWaalsContact O-CB 3.31Å; A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 VanDerWaalsContact O-CG 3.25Å; A65-L69 WeakPolarHBondContact O-CG 3.22Å; A65-L69 PolarHBondContact O-N 2.68Å; L67-L69 PolarHBondContact O-N 2.65Å; L69-D71 PolarHBondContact O-N 3.35Å; L69-E78 HydrophobicContact CD1-CB 4.36Å; L69-E78 HydrophobicContact CD1-CG 3.96Å; L69-E78 HydrophobicContact CD2-CB 3.71Å; L69-E78 HydrophobicContact CD2-CG 4.21Å; L69-I81 HydrophobicContact CD1-CD1 4.08Å; L69-I81 HydrophobicContact CD2-CD1 3.78Å; L69-I81 HydrophobicContact CG-CD1 3.98Å
70S89Confident94.7Very high46 Ų4648 Ų4832%0.32224%0.235SC..THydrogen-bonded Turntrans-68-18.7168.3810000112.5T66 L67 M68T66-S70 PolarHBondContact O-N 3.44Å; T66-S70 VanDerWaalsContact O-N 3.13Å; L67-S70 WeakPolarHBondContact O-CB 3.33Å; L67-S70 PolarHBondContact O-N 3.46Å; L67-S70 PolarHBondContact O-OG 3Å; M68-S70 VanDerWaalsContact C-N 3.26Å; M68-S70 PolarHBondContact O-N 2.95Å
71D88.3Confident94.7Very high1 Ų149.2 Ų49.21%0.00524%0.242CC..SBendtrans-98.9116.6173.9-173.6-16.7000111F34 M68 L69 R73 Y74 R229F34-D71 HydrophobicContact CZ-CB 4.22Å; M68-D71 PolarHBondContact O-N 3.29Å; M68-D71 VanDerWaalsContact O-N 3.1Å; L69-D71 PolarHBondContact O-N 3.35Å; D71-R73 PolarHBondContact O-N 2.8Å; D71-R73 WeakPolarHBondContact OD1-CG 3.19Å; D71-R73 PolarHBondContact OD1-N 3.26Å; D71-R73 IonicContact OD1-NE 2.82Å; D71-R73 PolarHBondContact OD1-NE 2.89Å; D71-R73 IonicContact OD2-CZ 3.8Å; D71-R73 IonicContact OD2-NE 2.7Å; D71-R73 PolarHBondContact OD2-NE 2.76Å; D71-R73 IonicContact OD2-NH2 3.03Å; D71-R73 PolarHBondContact OD2-NH2 2.91Å; D71-Y74 HydrophobicContact CB-CD2 3.9Å; D71-Y74 HydrophobicContact CB-CE2 4.21Å; D71-Y74 PolarHBondContact O-N 2.94Å; D71-R229 IonicContact OD1-NH2 3.92Å; D71-R229 IonicContact OD2-CZ 3.09Å; D71-R229 IonicContact OD2-NH2 3.53Å; D71-R229 PolarHBondContact OD2-NH2 2.78Å
72H88Confident94.7Very high152 Ų15251.6 Ų51.670%0.70426%0.255SS*.G310 helixtrans-49.8-28.8179.971-58.9000114.9Y74 K75H72-Y74 PolarHBondContact O-N 2.77Å; H72-K75 PolarHBondContact O-N 3.36Å
73R90.6Very high94.7Very high72 Ų7250.3 Ų50.327%0.27226%0.255SS..G310 helixtrans-60.3-33.2178.7-64.8-179.9-67.1164.4-5.9112.8E43 D71E43-R73 IonicContact OE1-CZ 3.69Å; E43-R73 IonicContact OE1-NE 3.97Å; E43-R73 IonicContact OE1-NH1 3.84Å; E43-R73 PolarHBondContact OE1-NH1 3.41Å; D71-R73 PolarHBondContact O-N 2.8Å; D71-R73 WeakPolarHBondContact OD1-CG 3.19Å; D71-R73 PolarHBondContact OD1-N 3.26Å; D71-R73 IonicContact OD1-NE 2.82Å; D71-R73 PolarHBondContact OD1-NE 2.89Å; D71-R73 IonicContact OD2-CZ 3.8Å; D71-R73 IonicContact OD2-NE 2.7Å; D71-R73 PolarHBondContact OD2-NE 2.76Å; D71-R73 IonicContact OD2-NH2 3.03Å; D71-R73 PolarHBondContact OD2-NH2 2.91Å
74Y94.4Very high94.8Very high8 Ų851.4 Ų51.43%0.03126%0.256CS..G310 helixtrans-103.1-3.1-176.1-51.3-72.8000113.3F34 M39 L42 E43 M68 D71 H72 R76 L77F34-Y74 AromaticContact CE2-CD2 3.77Å; F34-Y74 HydrophobicContact CE2-CD2 3.77Å; F34-Y74 AromaticContact CE2-CE2 3.53Å; F34-Y74 HydrophobicContact CE2-CE2 3.53Å; F34-Y74 AromaticContact CZ-CD2 3.91Å; F34-Y74 HydrophobicContact CZ-CD2 3.91Å; F34-Y74 AromaticContact CZ-CE2 3.68Å; F34-Y74 HydrophobicContact CZ-CE2 3.68Å; M39-Y74 HydrophobicContact CE-CD1 4.21Å; M39-Y74 HydrophobicContact CE-CD2 4.38Å; M39-Y74 HydrophobicContact CE-CE1 3.4Å; M39-Y74 VanDerWaalsContact CE-CE1 3.4Å; M39-Y74 HydrophobicContact CE-CE2 3.65Å; M39-Y74 WeakPolarHBondContact CE-OH 3.41Å; L42-Y74 HydrophobicContact CD2-CD1 4.06Å; L42-Y74 HydrophobicContact CD2-CE1 4.06Å; L42-Y74 HydrophobicContact CG-CD1 4.47Å; E43-Y74 HydrophobicContact CG-CD1 4.02Å; E43-Y74 HydrophobicContact CG-CE1 3.26Å; E43-Y74 PolarHBondContact OE1-OH 3.26Å; M68-Y74 VanDerWaalsContact CG-CB 3.47Å; M68-Y74 HydrophobicContact CG-CD1 4.34Å; M68-Y74 HydrophobicContact CG-CD2 3.78Å; M68-Y74 HydrophobicContact CG-CG 3.6Å; M68-Y74 HydrophobicContact SD-CD1 4.45Å; M68-Y74 HydrophobicContact SD-CG 4.22Å; D71-Y74 HydrophobicContact CB-CD2 3.9Å; D71-Y74 HydrophobicContact CB-CE2 4.21Å; D71-Y74 PolarHBondContact O-N 2.94Å; H72-Y74 PolarHBondContact O-N 2.77Å; Y74-R76 PolarHBondContact O-N 2.86Å; Y74-R76 VanDerWaalsContact O-N 3.12Å; Y74-L77 HydrophobicContact CD1-CD1 4.24Å; Y74-L77 VanDerWaalsContact O-CB 3.3Å; Y74-L77 WeakPolarHBondContact O-CB 3.31Å; Y74-L77 PolarHBondContact O-N 2.54Å
75K94.7Very high94.8Very high131 Ų13154.4 Ų54.457%0.5727%0.27SS*.G310 helixtrans-56.7-32.5-178-171166.6-177173.50113H72 L77 E78H72-K75 PolarHBondContact O-N 3.36Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-L77 VanDerWaalsContact O-N 3.15Å; K75-E78 VanDerWaalsContact O-CB 3.23Å; K75-E78 WeakPolarHBondContact O-CB 3.3Å; K75-E78 PolarHBondContact O-N 3.3Å; K75-E78 VanDerWaalsContact O-N 3.11Å
76R96.2Very high94.8Very high84 Ų8455.8 Ų55.832%0.31728%0.278SS..G310 helixtrans-61.7-20.2175.272.1177.8-168.6-178.72.7114.1E43 S44 N45 F48 Y74 E78 P79E43-R76 PolarHBondContact O-NH2 2.93Å; S44-R76 PolarHBondContact O-NH2 2.7Å; N45-R76 PolarHBondContact OD1-NH1 3.25Å; F48-R76 HydrophobicContact CD2-CG 4.06Å; F48-R76 HydrophobicContact CE2-CB 4.11Å; F48-R76 HydrophobicContact CE2-CG 4.12Å; F48-R76 WeakPolarHBondContact CE2-O 3.4Å; Y74-R76 PolarHBondContact O-N 2.86Å; Y74-R76 VanDerWaalsContact O-N 3.12Å; R76-E78 VanDerWaalsContact C-N 3.34Å; R76-P79 WeakPolarHBondContact O-CD 3.42Å
77L97.2Very high94.9Very high1 Ų156.1 Ų56.11%0.00528%0.277CS..G310 helixtrans-81.5-14.3178.7-59.4176.6000112.6L42 F48 L51 L58 M68 Y74 K75 P79 F80 I81L42-L77 HydrophobicContact CD1-CD1 4.24Å; L42-L77 HydrophobicContact CD2-CD1 4.4Å; L42-L77 HydrophobicContact CG-CD1 3.89Å; F48-L77 HydrophobicContact CD2-CD2 4.23Å; L51-L77 HydrophobicContact CD1-CD2 3.93Å; L58-L77 HydrophobicContact CD2-CD1 4.26Å; M68-L77 HydrophobicContact CE-CB 4.45Å; M68-L77 HydrophobicContact CE-CD1 4.39Å; Y74-L77 HydrophobicContact CD1-CD1 4.24Å; Y74-L77 VanDerWaalsContact O-CB 3.3Å; Y74-L77 WeakPolarHBondContact O-CB 3.31Å; Y74-L77 PolarHBondContact O-N 2.54Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-L77 VanDerWaalsContact O-N 3.15Å; L77-P79 VanDerWaalsContact C-N 3.33Å; L77-P79 VanDerWaalsContact O-N 3.14Å; L77-F80 PolarHBondContact O-N 2.8Å; L77-I81 HydrophobicContact CB-CD1 4.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.35Å; L77-I81 PolarHBondContact O-N 3.16Å
78E97.2Very high95.1Very high106 Ų10658.8 Ų58.850%0.49529%0.294SS..G310 helixtrans-45-45.6-176.2-173.4171.8-16300114.4L69 K75 R76 F80 I81L69-E78 HydrophobicContact CD1-CB 4.36Å; L69-E78 HydrophobicContact CD1-CG 3.96Å; L69-E78 HydrophobicContact CD2-CB 3.71Å; L69-E78 HydrophobicContact CD2-CG 4.21Å; K75-E78 VanDerWaalsContact O-CB 3.23Å; K75-E78 WeakPolarHBondContact O-CB 3.3Å; K75-E78 PolarHBondContact O-N 3.3Å; K75-E78 VanDerWaalsContact O-N 3.11Å; R76-E78 VanDerWaalsContact C-N 3.34Å; E78-F80 PolarHBondContact O-N 3.01Å; E78-F80 VanDerWaalsContact O-N 3.14Å; E78-I81 PolarHBondContact O-N 2.87Å
79P96.4Very high95.3Very high106 Ų10661.9 Ų61.969%0.68831%0.314SS*.G310 helixtrans-66.6-15.7-179.5-2135.2000115R76 L77R76-P79 WeakPolarHBondContact O-CD 3.42Å; L77-P79 VanDerWaalsContact C-N 3.33Å; L77-P79 VanDerWaalsContact O-N 3.14Å
80F96.6Very high95.5Very high48 Ų4860.3 Ų60.321%0.21131%0.305CS..G310 helixtrans-109-1-174.2-50.1-73.2000113.2F48 L51 R52 L58 L77 E78F48-F80 HydrophobicContact CD2-CE2 4.24Å; F48-F80 AromaticContact CE2-CE2 3.68Å; F48-F80 HydrophobicContact CE2-CE2 3.68Å; F48-F80 HydrophobicContact CE2-CZ 4.49Å; F48-F80 HydrophobicContact CZ-CE2 4.29Å; L51-F80 HydrophobicContact CB-CB 4.09Å; L51-F80 HydrophobicContact CB-CD1 3.84Å; L51-F80 HydrophobicContact CB-CD2 4.14Å; L51-F80 HydrophobicContact CB-CE1 4.3Å; L51-F80 HydrophobicContact CB-CG 3.75Å; L51-F80 HydrophobicContact CD1-CB 3.91Å; L51-F80 HydrophobicContact CD1-CD2 4.35Å; L51-F80 HydrophobicContact CD1-CG 4.22Å; L51-F80 HydrophobicContact CD2-CB 4.42Å; L51-F80 HydrophobicContact CG-CB 4.37Å; R52-F80 HydrophobicContact CB-CE1 4.47Å; R52-F80 HydrophobicContact CB-CZ 4.06Å; R52-F80 HydrophobicContact CG-CZ 4.29Å; L58-F80 PolarHBondContact N-O 3.35Å; L58-F80 VanDerWaalsContact N-O 3.16Å; L77-F80 PolarHBondContact O-N 2.8Å; E78-F80 PolarHBondContact O-N 3.01Å; E78-F80 VanDerWaalsContact O-N 3.14Å
81I98Very high95.9Very high29 Ų2963.4 Ų63.415%0.14932%0.318CS..EExtended strand (participates in β ladder)trans-83.6123.7179.8-64.2166000109.5L58 M60 A65 M68 L69 L77 E78L58-I81 HydrophobicContact CD2-CG1 4.31Å; L58-I81 CarbonylContact O-C 3.28Å; L58-I81 WeakPolarHBondContact O-CA 3.29Å; M60-I81 HydrophobicContact CE-CD1 4.48Å; M60-I81 HydrophobicContact CE-CG1 4.14Å; M60-I81 HydrophobicContact CE-CG2 4.25Å; M60-I81 HydrophobicContact CG-CG2 4.03Å; M60-I81 HydrophobicContact SD-CG2 4.11Å; A65-I81 HydrophobicContact CB-CG2 3.92Å; M68-I81 HydrophobicContact CE-CD1 3.19Å; M68-I81 HydrophobicContact CE-CG1 3.91Å; L69-I81 HydrophobicContact CD1-CD1 4.08Å; L69-I81 HydrophobicContact CD2-CD1 3.78Å; L69-I81 HydrophobicContact CG-CD1 3.98Å; L77-I81 HydrophobicContact CB-CD1 4.47Å; L77-I81 WeakPolarHBondContact O-CG1 3.35Å; L77-I81 PolarHBondContact O-N 3.16Å; E78-I81 PolarHBondContact O-N 2.87Å
82N98.1Very high96.3Very high63 Ų6363.7 Ų63.734%0.33732%0.319SS..EExtended strand (participates in β ladder)trans-110.599.1167.9-169.2-19000109.2T57 L58 F59 M60 W84T57-N82 HydrophobicContact CG2-CB 3.62Å; L58-N82 PolarHBondContact O-N 3.15Å; F59-N82 VanDerWaalsContact CA-O 3.31Å; F59-N82 WeakPolarHBondContact CA-O 3.36Å; F59-N82 HydrophobicContact CD1-CB 3.78Å; F59-N82 HydrophobicContact CE1-CB 3.89Å; M60-N82 PolarHBondContact N-O 3.35Å; N82-W84 PolarHBondContact OD1-NE1 3.12Å
83S98.2Very high96.6Very high44 Ų4459.6 Ų59.631%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-97.4135.1-17263.60000113.6M60M60-S83 CarbonylContact O-C 3.55Å; M60-S83 VanDerWaalsContact O-CA 3.24Å; M60-S83 WeakPolarHBondContact O-CA 3.41Å
84W98.3Very high96.7Very high69 Ų6956.8 Ų56.826%0.26130%0.298SS..EExtended strand (participates in β ladder)trans-120.8156.7-176.3-70.282.6000113.1F59 M60 H61 K62 N82 V88 F90 L107F59-W84 AromaticContact CD1-NE1 3.91Å; M60-W84 PolarHBondContact O-N 3.33Å; H61-W84 CarbonylContact C-O 3.54Å; H61-W84 WeakPolarHBondContact CA-O 3.48Å; H61-W84 PolarHBondContact CD2-O 2.87Å; H61-W84 VanDerWaalsContact CD2-O 3.32Å; K62-W84 PolarHBondContact N-O 2.81Å; N82-W84 PolarHBondContact OD1-NE1 3.12Å; W84-V88 HydrophobicContact CE3-CB 4.46Å; W84-V88 HydrophobicContact CE3-CG1 3.98Å; W84-V88 HydrophobicContact CZ3-CG1 3.9Å; W84-F90 HydrophobicContact CB-CD1 4.45Å; W84-F90 HydrophobicContact CB-CE1 3.97Å; W84-F90 HydrophobicContact CB-CZ 4.49Å; W84-F90 AromaticContact CD1-CE1 3.78Å; W84-F90 AromaticContact CD1-CE2 3.91Å; W84-F90 AromaticContact CD1-CZ 3.6Å; W84-F90 HydrophobicContact CD2-CB 4.17Å; W84-F90 AromaticContact CD2-CD1 3.34Å; W84-F90 HydrophobicContact CD2-CD1 3.34Å; W84-F90 HydrophobicContact CD2-CD2 4.17Å; W84-F90 AromaticContact CD2-CE1 3.63Å; W84-F90 HydrophobicContact CD2-CE1 3.63Å; W84-F90 HydrophobicContact CD2-CE2 4.39Å; W84-F90 AromaticContact CD2-CG 3.63Å; W84-F90 HydrophobicContact CD2-CG 3.63Å; W84-F90 HydrophobicContact CD2-CZ 4.14Å; W84-F90 AromaticContact CE2-CD1 3.67Å; W84-F90 AromaticContact CE2-CD2 3.6Å; W84-F90 AromaticContact CE2-CE2 3.96Å; W84-F90 AromaticContact CE2-CG 3.43Å; W84-F90 VanDerWaalsContact CE2-CG 3.43Å; W84-F90 HydrophobicContact CE3-CB 3.96Å; W84-F90 AromaticContact CE3-CD1 3.51Å; W84-F90 HydrophobicContact CE3-CD1 3.51Å; W84-F90 HydrophobicContact CE3-CE1 4.18Å; W84-F90 AromaticContact CE3-CG 3.86Å; W84-F90 HydrophobicContact CE3-CG 3.86Å; W84-F90 AromaticContact CG-CD1 3.76Å; W84-F90 HydrophobicContact CG-CD1 3.76Å; W84-F90 AromaticContact CG-CE1 3.49Å; W84-F90 HydrophobicContact CG-CE1 3.49Å; W84-F90 VanDerWaalsContact CG-CE1 3.49Å; W84-F90 HydrophobicContact CG-CE2 4.38Å; W84-F90 HydrophobicContact CG-CG 4.32Å; W84-F90 AromaticContact CG-CZ 3.81Å; W84-F90 HydrophobicContact CG-CZ 3.81Å; W84-F90 HydrophobicContact CH2-CB 3.26Å; W84-F90 HydrophobicContact CH2-CD1 4.3Å; W84-F90 HydrophobicContact CH2-CD2 4.45Å; W84-F90 AromaticContact CH2-CG 3.79Å; W84-F90 HydrophobicContact CH2-CG 3.79Å; W84-F90 HydrophobicContact CZ2-CB 3.46Å; W84-F90 VanDerWaalsContact CZ2-CB 3.46Å; W84-F90 HydrophobicContact CZ2-CD1 4.15Å; W84-F90 AromaticContact CZ2-CD2 3.77Å; W84-F90 HydrophobicContact CZ2-CD2 3.77Å; W84-F90 AromaticContact CZ2-CG 3.53Å; W84-F90 HydrophobicContact CZ2-CG 3.53Å; W84-F90 HydrophobicContact CZ3-CB 3.52Å; W84-F90 HydrophobicContact CZ3-CD1 4Å; W84-F90 AromaticContact CZ3-CG 3.95Å; W84-F90 HydrophobicContact CZ3-CG 3.95Å; W84-F90 AromaticContact NE1-CD2 3.74Å; W84-F90 AromaticContact NE1-CE2 3.63Å; W84-F90 AromaticContact NE1-CG 4Å; W84-F90 AromaticContact NE1-CZ 3.82Å; W84-L107 HydrophobicContact CB-CD2 4.1Å
85E97.5Very high96.2Very high62 Ų6260.2 Ų60.229%0.2932%0.32SS..  trans-83.7160.1166.6-62.5-67.7175.500110.3H61 K62 V88H61-E85 IonicContact NE2-OE2 3.75Å; K62-E85 HydrophobicContact CD-CG 4.31Å; K62-E85 WeakPolarHBondContact CD-OE1 3.3Å; K62-E85 VanDerWaalsContact CE-OE1 3.24Å; K62-E85 WeakPolarHBondContact CE-OE1 3.45Å; K62-E85 IonicContact NZ-OE1 3.46Å; K62-E85 PolarHBondContact NZ-OE1 3.11Å; E85-V88 HydrophobicContact CB-CG2 4.15Å
86T97.2Very high95.2Very high36 Ų3658.6 Ų58.622%0.22132%0.318CS..THydrogen-bonded Turntrans-67.9153.3169.754.60000112.3V88 L107 P109 V117T86-V88 PolarHBondContact O-N 3.4Å; T86-L107 CarbonylContact C-O 3.56Å; T86-L107 WeakPolarHBondContact CA-O 3.4Å; T86-L107 WeakPolarHBondContact CB-O 3.42Å; T86-L107 HydrophobicContact CG2-CB 4.4Å; T86-P109 HydrophobicContact CG2-CG 4.08Å; T86-V117 HydrophobicContact CG2-CG1 3.84Å
87N96.3Very high93.8Very high68 Ų6857.8 Ų57.836%0.36432%0.32SS..THydrogen-bonded Turntrans63.320.3177.9-51.5-56.2000115.1L107 L108 L146N87-L107 PolarHBondContact N-O 2.93Å; N87-L108 WeakPolarHBondContact OD1-CD2 3.43Å; N87-L146 HydrophobicContact CB-CD1 4.14Å
88V97.3Very high92.2Very high61 Ų6164.3 Ų64.337%0.3737%0.366SS..  trans-113.2109.1173.8-177.90000108.8W84 E85 T86W84-V88 HydrophobicContact CE3-CB 4.46Å; W84-V88 HydrophobicContact CE3-CG1 3.98Å; W84-V88 HydrophobicContact CZ3-CG1 3.9Å; E85-V88 HydrophobicContact CB-CG2 4.15Å; T86-V88 PolarHBondContact O-N 3.4Å
89P97.7Very high90.4Very high66 Ų6663.8 Ų63.843%0.42937%0.373SS..  trans-69.4140.6173.8-18.832000111.9T104 V105 T106 L146P89-T104 HydrophobicContact CB-CG2 3.74Å; P89-V105 CarbonylContact C-O 3.52Å; P89-V105 WeakPolarHBondContact CA-O 3.38Å; P89-T106 WeakPolarHBondContact CA-OG1 3.47Å; P89-L146 HydrophobicContact CG-CD1 4.37Å; P89-L146 HydrophobicContact CG-CD2 4.38Å
90F98.3Very high89.6Confident13 Ų1362.8 Ų62.86%0.05737%0.373CS..EExtended strand (participates in β ladder)trans-146.6151.5173.461.1-82.6000112.1F30 F59 W84 V92 T104 V105 L107F30-F90 HydrophobicContact CE1-CE2 4.43Å; F30-F90 HydrophobicContact CE1-CZ 4.04Å; F30-F90 HydrophobicContact CZ-CE2 4.48Å; F30-F90 HydrophobicContact CZ-CZ 4.5Å; F59-F90 AromaticContact CD1-CE2 3.74Å; F59-F90 HydrophobicContact CD1-CE2 3.74Å; F59-F90 HydrophobicContact CD1-CZ 4.28Å; F59-F90 HydrophobicContact CE1-CD2 4.48Å; F59-F90 AromaticContact CE1-CE2 3.89Å; F59-F90 HydrophobicContact CE1-CE2 3.89Å; W84-F90 HydrophobicContact CB-CD1 4.45Å; W84-F90 HydrophobicContact CB-CE1 3.97Å; W84-F90 HydrophobicContact CB-CZ 4.49Å; W84-F90 AromaticContact CD1-CE1 3.78Å; W84-F90 AromaticContact CD1-CE2 3.91Å; W84-F90 AromaticContact CD1-CZ 3.6Å; W84-F90 HydrophobicContact CD2-CB 4.17Å; W84-F90 AromaticContact CD2-CD1 3.34Å; W84-F90 HydrophobicContact CD2-CD1 3.34Å; W84-F90 HydrophobicContact CD2-CD2 4.17Å; W84-F90 AromaticContact CD2-CE1 3.63Å; W84-F90 HydrophobicContact CD2-CE1 3.63Å; W84-F90 HydrophobicContact CD2-CE2 4.39Å; W84-F90 AromaticContact CD2-CG 3.63Å; W84-F90 HydrophobicContact CD2-CG 3.63Å; W84-F90 HydrophobicContact CD2-CZ 4.14Å; W84-F90 AromaticContact CE2-CD1 3.67Å; W84-F90 AromaticContact CE2-CD2 3.6Å; W84-F90 AromaticContact CE2-CE2 3.96Å; W84-F90 AromaticContact CE2-CG 3.43Å; W84-F90 VanDerWaalsContact CE2-CG 3.43Å; W84-F90 HydrophobicContact CE3-CB 3.96Å; W84-F90 AromaticContact CE3-CD1 3.51Å; W84-F90 HydrophobicContact CE3-CD1 3.51Å; W84-F90 HydrophobicContact CE3-CE1 4.18Å; W84-F90 AromaticContact CE3-CG 3.86Å; W84-F90 HydrophobicContact CE3-CG 3.86Å; W84-F90 AromaticContact CG-CD1 3.76Å; W84-F90 HydrophobicContact CG-CD1 3.76Å; W84-F90 AromaticContact CG-CE1 3.49Å; W84-F90 HydrophobicContact CG-CE1 3.49Å; W84-F90 VanDerWaalsContact CG-CE1 3.49Å; W84-F90 HydrophobicContact CG-CE2 4.38Å; W84-F90 HydrophobicContact CG-CG 4.32Å; W84-F90 AromaticContact CG-CZ 3.81Å; W84-F90 HydrophobicContact CG-CZ 3.81Å; W84-F90 HydrophobicContact CH2-CB 3.26Å; W84-F90 HydrophobicContact CH2-CD1 4.3Å; W84-F90 HydrophobicContact CH2-CD2 4.45Å; W84-F90 AromaticContact CH2-CG 3.79Å; W84-F90 HydrophobicContact CH2-CG 3.79Å; W84-F90 HydrophobicContact CZ2-CB 3.46Å; W84-F90 VanDerWaalsContact CZ2-CB 3.46Å; W84-F90 HydrophobicContact CZ2-CD1 4.15Å; W84-F90 AromaticContact CZ2-CD2 3.77Å; W84-F90 HydrophobicContact CZ2-CD2 3.77Å; W84-F90 AromaticContact CZ2-CG 3.53Å; W84-F90 HydrophobicContact CZ2-CG 3.53Å; W84-F90 HydrophobicContact CZ3-CB 3.52Å; W84-F90 HydrophobicContact CZ3-CD1 4Å; W84-F90 AromaticContact CZ3-CG 3.95Å; W84-F90 HydrophobicContact CZ3-CG 3.95Å; W84-F90 AromaticContact NE1-CD2 3.74Å; W84-F90 AromaticContact NE1-CE2 3.63Å; W84-F90 AromaticContact NE1-CG 4Å; W84-F90 AromaticContact NE1-CZ 3.82Å; F90-V92 HydrophobicContact CD2-CG2 3.77Å; F90-V92 HydrophobicContact CE2-CG2 3.54Å; F90-T104 CarbonylContact O-C 3.42Å; F90-T104 WeakPolarHBondContact O-CA 3.38Å; F90-V105 WeakPolarHBondContact CD1-O 3.23Å; F90-V105 HydrophobicContact CE1-CB 4.11Å; F90-V105 HydrophobicContact CE1-CG1 4.33Å; F90-V105 WeakPolarHBondContact CE1-O 3.36Å; F90-V105 HydrophobicContact CE2-CB 4.02Å; F90-V105 HydrophobicContact CZ-CB 3.8Å; F90-V105 HydrophobicContact CZ-CG1 3.99Å; F90-V105 PolarHBondContact N-O 3.32Å; F90-V105 PolarHBondContact O-N 3.49Å; F90-L107 HydrophobicContact CE1-CD1 3.7Å; F90-L107 HydrophobicContact CZ-CD1 3.95Å
91L97.5Very high89.4Confident112 Ų11263.9 Ų63.959%0.58638%0.377SS*.EExtended strand (participates in β ladder)trans-85.3134.8-177.6-171.567.9000111.4
92V96.7Very high89.3Confident7 Ų764.6 Ų64.64%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-122.9127.8170.1179.30000108.8F13 A28 F30 F59 F90 S102 A103 V105F13-V92 HydrophobicContact CE2-CG1 4.2Å; A28-V92 HydrophobicContact CB-CG1 3.46Å; A28-V92 VanDerWaalsContact CB-CG1 3.46Å; F30-V92 HydrophobicContact CZ-CG2 4.19Å; F59-V92 HydrophobicContact CE1-CG2 4.19Å; F59-V92 HydrophobicContact CE2-CG1 4.21Å; F59-V92 HydrophobicContact CE2-CG2 4.32Å; F59-V92 HydrophobicContact CZ-CG1 4.29Å; F59-V92 HydrophobicContact CZ-CG2 3.93Å; F90-V92 HydrophobicContact CD2-CG2 3.77Å; F90-V92 HydrophobicContact CE2-CG2 3.54Å; V92-S102 CarbonylContact O-C 3.53Å; V92-S102 WeakPolarHBondContact O-CA 3.23Å; V92-S102 WeakPolarHBondContact O-CB 3.4Å; V92-A103 PolarHBondContact N-O 2.89Å; V92-A103 PolarHBondContact O-N 2.89Å; V92-V105 HydrophobicContact CB-CG2 4.13Å; V92-V105 HydrophobicContact CG2-CB 4.47Å; V92-V105 HydrophobicContact CG2-CG2 3.74Å
93C94Very high89.2Confident66 Ų6661.6 Ų61.645%0.44637%0.369SS..EExtended strand (participates in β ladder)trans-112.1144.7-179.1-600000111.2
94S92.2Very high89.2Confident12 Ų1261.9 Ų61.98%0.08437%0.369CS..  trans-65.2131.7166.7-175.70000109.5D97 K101S94-D97 WeakPolarHBondContact CB-OD2 3.45Å; S94-D97 PolarHBondContact OG-OD2 2.91Å; S94-K101 WeakPolarHBondContact CB-O 3.23Å; S94-K101 PolarHBondContact N-O 3.42Å
95T85.8Confident89.3Confident80 Ų8058.6 Ų58.649%0.49136%0.357SS..SBendtrans-96.8-12.3176.555.30000112.6C27 G55C27-T95 WeakPolarHBondContact CB-OG1 3.4Å; G55-T95 WeakPolarHBondContact O-CB 3.39Å; G55-T95 WeakPolarHBondContact O-CG2 3.45Å; G55-T95 PolarHBondContact O-OG1 3.37Å
96N73.7Confident89.3Confident97 Ų9755.7 Ų55.752%0.51934%0.343SS..SBendtrans-99.8-17.6-173.3-65.7-25.5000113.4Q25Q25-N96 PolarHBondContact O-ND2 3.14Å
97D65.5Low89.4Confident67 Ų6754 Ų5436%0.35833%0.333SS..  trans-97.5136-169.9-67-44.8000112.6S94 C99S94-D97 WeakPolarHBondContact CB-OD2 3.45Å; S94-D97 PolarHBondContact OG-OD2 2.91Å; D97-C99 WeakPolarHBondContact CB-O 3.32Å; D97-C99 PolarHBondContact O-N 3.29Å
98S64.6Low89.5Confident139 Ų13950.8 Ų50.897%0.97232%0.315SS*.SBendtrans-65.1-26.6168.248.60000112.8
99C58.4Low89.5Confident95 Ų9549.7 Ų49.764%0.64231%0.31SS*.SBendtrans-97107.1167.5-171.50000106.9D97 K101D97-C99 WeakPolarHBondContact CB-O 3.32Å; D97-C99 PolarHBondContact O-N 3.29Å; C99-K101 PolarHBondContact O-N 3.42Å
100A80.1Confident89.5Confident84 Ų8446.5 Ų46.569%0.69429%0.289SS*.  trans-62.976.2-174.600000112.5
101K91.9Very high89.4Confident71 Ų7147.6 Ų47.631%0.30930%0.304SS..  trans-62.5140.6172.4-70.9-172.3177.4-1710108.9F13 S94 C99F13-K101 HydrophobicContact CD1-CB 4.04Å; F13-K101 HydrophobicContact CD1-CD 4.41Å; F13-K101 HydrophobicContact CE1-CB 3.84Å; S94-K101 WeakPolarHBondContact CB-O 3.23Å; S94-K101 PolarHBondContact N-O 3.42Å; C99-K101 PolarHBondContact O-N 3.42Å
102S95.7Very high89.4Confident44 Ų4442.6 Ų42.631%0.30828%0.278SS..EExtended strand (participates in β ladder)trans-146.8159177.163.90000111V92V92-S102 CarbonylContact O-C 3.53Å; V92-S102 WeakPolarHBondContact O-CA 3.23Å; V92-S102 WeakPolarHBondContact O-CB 3.4Å
103A97.5Very high89.3Confident0 Ų042.9 Ų42.90%028%0.28CS..EExtended strand (participates in β ladder)trans-139.4133.917200000108.9Y11 F13 I14 V92 V105 E122Y11-A103 HydrophobicContact CD1-CB 3.77Å; Y11-A103 HydrophobicContact CE1-CB 3.81Å; Y11-A103 HydrophobicContact CG-CB 4.33Å; F13-A103 HydrophobicContact CZ-CB 4.16Å; I14-A103 HydrophobicContact CD1-CB 4.16Å; V92-A103 PolarHBondContact N-O 2.89Å; V92-A103 PolarHBondContact O-N 2.89Å; A103-V105 HydrophobicContact CB-CG2 4.46Å; A103-E122 CarbonylContact C-O 3.55Å; A103-E122 WeakPolarHBondContact CA-O 3.46Å
104T98.2Very high89.4Confident51 Ų5139.9 Ų39.931%0.31326%0.259SS..EExtended strand (participates in β ladder)trans-73.8126160.6-61.10000107.7P89 F90 F121 E122P89-T104 HydrophobicContact CB-CG2 3.74Å; F90-T104 CarbonylContact O-C 3.42Å; F90-T104 WeakPolarHBondContact O-CA 3.38Å; T104-F121 CarbonylContact O-C 3.57Å; T104-F121 WeakPolarHBondContact O-CA 3.49Å; T104-E122 PolarHBondContact N-O 2.96Å; T104-E122 PolarHBondContact O-N 2.83Å
105V98.6Very high89.6Confident0 Ų039.8 Ų39.80%026%0.26CS..EExtended strand (participates in β ladder)trans-113.7137.3-178.8-169.70000109.6F30 P89 F90 V92 A103 L107 L120 F121F30-V105 HydrophobicContact CE1-CB 4.46Å; F30-V105 HydrophobicContact CE1-CG1 3.7Å; F30-V105 HydrophobicContact CZ-CB 4.3Å; F30-V105 HydrophobicContact CZ-CG1 3.9Å; F30-V105 HydrophobicContact CZ-CG2 3.97Å; P89-V105 CarbonylContact C-O 3.52Å; P89-V105 WeakPolarHBondContact CA-O 3.38Å; F90-V105 WeakPolarHBondContact CD1-O 3.23Å; F90-V105 HydrophobicContact CE1-CB 4.11Å; F90-V105 HydrophobicContact CE1-CG1 4.33Å; F90-V105 WeakPolarHBondContact CE1-O 3.36Å; F90-V105 HydrophobicContact CE2-CB 4.02Å; F90-V105 HydrophobicContact CZ-CB 3.8Å; F90-V105 HydrophobicContact CZ-CG1 3.99Å; F90-V105 PolarHBondContact N-O 3.32Å; F90-V105 PolarHBondContact O-N 3.49Å; V92-V105 HydrophobicContact CB-CG2 4.13Å; V92-V105 HydrophobicContact CG2-CB 4.47Å; V92-V105 HydrophobicContact CG2-CG2 3.74Å; A103-V105 HydrophobicContact CB-CG2 4.46Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å; V105-L120 CarbonylContact C-O 3.45Å; V105-L120 VanDerWaalsContact CA-O 3.3Å; V105-L120 WeakPolarHBondContact CA-O 3.42Å; V105-F121 HydrophobicContact CB-CD1 4.4Å; V105-F121 HydrophobicContact CG1-CD1 4Å; V105-F121 HydrophobicContact CG1-CE1 3.86Å; V105-F121 HydrophobicContact CG2-CD1 3.7Å; V105-F121 HydrophobicContact CG2-CE1 4.04Å
106T98.5Very high90.2Very high0 Ų036.2 Ų36.20%024%0.238CC..EExtended strand (participates in β ladder)trans-130.6130.9173.2-62.20000109.4P89 L108 L120 L146P89-T106 WeakPolarHBondContact CA-OG1 3.47Å; T106-L108 HydrophobicContact CG2-CD2 3.9Å; T106-L108 HydrophobicContact CG2-CG 4.46Å; T106-L120 PolarHBondContact N-O 3.36Å; T106-L120 PolarHBondContact O-N 2.86Å; T106-L146 HydrophobicContact CG2-CB 4.45Å; T106-L146 HydrophobicContact CG2-CD1 3.28Å; T106-L146 HydrophobicContact CG2-CG 4.45Å
107L98.7Very high91.4Very high1 Ų131.8 Ų31.81%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-85.6128.3171.5-81.460000109.3H61 W84 T86 N87 F90 V105 V117 M118 L119H61-L107 HydrophobicContact CB-CD2 4.01Å; W84-L107 HydrophobicContact CB-CD2 4.1Å; T86-L107 CarbonylContact C-O 3.56Å; T86-L107 WeakPolarHBondContact CA-O 3.4Å; T86-L107 WeakPolarHBondContact CB-O 3.42Å; T86-L107 HydrophobicContact CG2-CB 4.4Å; N87-L107 PolarHBondContact N-O 2.93Å; F90-L107 HydrophobicContact CE1-CD1 3.7Å; F90-L107 HydrophobicContact CZ-CD1 3.95Å; V105-L107 HydrophobicContact CG1-CD1 4.4Å; L107-V117 HydrophobicContact CB-CB 4.16Å; L107-V117 HydrophobicContact CB-CG1 4.08Å; L107-V117 HydrophobicContact CB-CG2 4.46Å; L107-V117 HydrophobicContact CD2-CB 4.44Å; L107-V117 HydrophobicContact CD2-CG1 4.22Å; L107-V117 HydrophobicContact CD2-CG2 3.98Å; L107-V117 HydrophobicContact CG-CB 4.15Å; L107-V117 HydrophobicContact CG-CG1 4.31Å; L107-V117 HydrophobicContact CG-CG2 3.89Å; L107-M118 WeakPolarHBondContact CA-O 3.35Å; L107-L119 HydrophobicContact CD1-CD2 3.73Å; L107-L119 HydrophobicContact CG-CD2 3.82Å
108L98.2Very high92.9Very high0 Ų028.6 Ų28.60%020%0.198CC..EExtended strand (participates in β ladder)trans-114.7147.1173.5-56.4175.2000109.5N87 T106 G110 V117 M118 L120 L129 L146 L147N87-L108 WeakPolarHBondContact OD1-CD2 3.43Å; T106-L108 HydrophobicContact CG2-CD2 3.9Å; T106-L108 HydrophobicContact CG2-CG 4.46Å; L108-G110 PolarHBondContact O-N 3.49Å; L108-V117 CarbonylContact O-C 3.58Å; L108-V117 WeakPolarHBondContact O-CA 3.4Å; L108-V117 WeakPolarHBondContact O-CB 3.48Å; L108-M118 HydrophobicContact CB-CB 4.26Å; L108-M118 HydrophobicContact CB-CE 3.7Å; L108-M118 HydrophobicContact CD1-CE 4.34Å; L108-M118 PolarHBondContact N-O 3.3Å; L108-M118 PolarHBondContact O-N 2.6Å; L108-L120 HydrophobicContact CD1-CB 4.47Å; L108-L129 HydrophobicContact CD1-CD1 4.28Å; L108-L146 HydrophobicContact CD2-CB 4.41Å; L108-L147 HydrophobicContact CD1-CD1 4.43Å; L108-L147 HydrophobicContact CD1-CD2 3.91Å; L108-L147 HydrophobicContact CD1-CG 4.05Å
109P97.5Very high94.6Very high38 Ų3822 Ų2225%0.24715%0.152CC..EExtended strand (participates in β ladder)trans-58.3125.1176.7-22.131.6000112.5T86 M118 F144T86-P109 HydrophobicContact CG2-CG 4.08Å; P109-M118 WeakPolarHBondContact O-CE 3.01Å; P109-F144 HydrophobicContact CB-CE1 4.49Å; P109-F144 HydrophobicContact CG-CE1 4.16Å
110G97.5Very high96.5Very high0 Ų017.5 Ų17.50%012%0.121CC..  trans-86.7-14.9178.300000114.8L108 H112 S116 E134 R135 V136L108-G110 PolarHBondContact O-N 3.49Å; G110-H112 PolarHBondContact O-N 3.25Å; G110-H112 VanDerWaalsContact O-N 3.1Å; G110-S116 PolarHBondContact N-O 2.86Å; G110-E134 VanDerWaalsContact O-CA 3.25Å; G110-E134 WeakPolarHBondContact O-CA 3.39Å; G110-E134 WeakPolarHBondContact O-CB 3.28Å; G110-R135 PolarHBondContact O-N 2.64Å; G110-R135 VanDerWaalsContact O-N 3.11Å; G110-V136 WeakPolarHBondContact O-CG2 3.43Å
111G96.2Very high97.4Very high36 Ų3613.5 Ų13.537%0.3719%0.088SC..SBendtrans6511.117900000115.2R176G111-R176 PolarHBondContact O-NH2 3.04Å
112H97.2Very high97.7Very high7 Ų712.2 Ų12.23%0.0328%0.083CC..SBendtrans-90.4-49.9-176170.377.7000113.1H33 H35 G110 S116 D133 N315 H316H33-H112 AromaticContact CD2-CD2 3.65Å; H33-H112 AromaticContact CD2-NE2 3.96Å; H33-H112 AromaticContact NE2-CD2 3.81Å; H33-H112 AromaticContact NE2-NE2 3.85Å; H35-H112 AromaticContact CE1-CD2 3.84Å; H35-H112 AromaticContact CE1-CE1 3.89Å; H35-H112 AromaticContact CE1-NE2 2.91Å; H35-H112 PolarHBondContact CE1-NE2 3.06Å; H35-H112 AromaticContact ND1-NE2 3.42Å; H35-H112 PolarHBondContact ND1-NE2 3.1Å; H35-H112 AromaticContact NE2-NE2 3.61Å; G110-H112 PolarHBondContact O-N 3.25Å; G110-H112 VanDerWaalsContact O-N 3.1Å; H112-S116 PolarHBondContact N-OG 2.99Å; H112-D133 HydrophobicContact CB-CB 4.2Å; H112-D133 WeakPolarHBondContact CB-O 3.43Å; H112-D133 IonicContact CE1-OD2 2.66Å; H112-D133 IonicContact NE2-OD2 3.95Å; H112-N315 PolarHBondContact ND1-O 2.88Å; H112-N315 WeakPolarHBondContact O-CB 3.29Å; H112-N315 PolarHBondContact O-ND2 3Å; H112-H316 AromaticContact CE1-CD2 3.87Å; H112-H316 AromaticContact CE1-CE1 3.74Å; H112-H316 AromaticContact CE1-NE2 3.4Å; H112-H316 PolarHBondContact CE1-NE2 2.76Å; H112-H316 AromaticContact ND1-NE2 3.92Å
113C95.9Very high97.7Very high13 Ų1311.9 Ų11.99%0.0889%0.086CC..SBendtrans-146.7176.6172.170.60000109.5G115 S116C113-G115 PolarHBondContact O-N 3.2Å; C113-S116 PolarHBondContact N-OG 3.43Å; C113-S116 VanDerWaalsContact N-OG 3.12Å; C113-S116 WeakPolarHBondContact O-CB 3.43Å; C113-S116 PolarHBondContact O-N 3.46Å; C113-S116 VanDerWaalsContact O-N 3.09Å; C113-S116 PolarHBondContact O-OG 3.19Å
114I94.9Very high97.6Very high3 Ų316.8 Ų16.82%0.01512%0.121CC..THydrogen-bonded Turntrans-58.7134.5173-175.1157.9000110.7L63 L67 S116 E210 Y234 V237 I240L63-I114 HydrophobicContact CB-CG1 4.42Å; L63-I114 HydrophobicContact CD1-CD1 4.07Å; L63-I114 HydrophobicContact CD1-CG1 3.79Å; L67-I114 HydrophobicContact CD1-CG2 3.64Å; I114-S116 PolarHBondContact O-N 2.97Å; I114-E210 HydrophobicContact CB-CG 4.24Å; I114-E210 HydrophobicContact CG2-CG 4.03Å; I114-E210 WeakPolarHBondContact CG2-OE1 3.11Å; I114-Y234 HydrophobicContact CG2-CE1 3.83Å; I114-V237 HydrophobicContact CD1-CB 4.29Å; I114-V237 HydrophobicContact CD1-CG1 3.86Å; I114-V237 HydrophobicContact CD1-CG2 3.8Å; I114-I240 HydrophobicContact CD1-CD1 3.5Å
115G96.5Very high97.5Very high9 Ų918.9 Ų18.99%0.09313%0.127CC..THydrogen-bonded Turntrans73.1-1.6-177.800000115.6H61 T64 C113 V117H61-G115 WeakPolarHBondContact CB-O 3.45Å; T64-G115 PolarHBondContact OG1-O 2.88Å; C113-G115 PolarHBondContact O-N 3.2Å; G115-V117 PolarHBondContact O-N 3.39Å
116S98.3Very high97.4Very high6 Ų619.8 Ų19.84%0.04214%0.136CC..  trans-67.413117767.20000111.5S32 G110 H112 C113 I114S32-S116 WeakPolarHBondContact O-CA 3.29Å; G110-S116 PolarHBondContact N-O 2.86Å; H112-S116 PolarHBondContact N-OG 2.99Å; C113-S116 PolarHBondContact N-OG 3.43Å; C113-S116 VanDerWaalsContact N-OG 3.12Å; C113-S116 WeakPolarHBondContact O-CB 3.43Å; C113-S116 PolarHBondContact O-N 3.46Å; C113-S116 VanDerWaalsContact O-N 3.09Å; C113-S116 PolarHBondContact O-OG 3.19Å; I114-S116 PolarHBondContact O-N 2.97Å
117V98.8Very high97.4Very high3 Ų321.1 Ų21.12%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-130.6145.7-178.4-66.30000112.7S32 H61 T86 L107 L108 G115 L119S32-V117 WeakPolarHBondContact CB-O 3.4Å; S32-V117 WeakPolarHBondContact O-CG2 3.34Å; S32-V117 PolarHBondContact O-N 3.24Å; H61-V117 HydrophobicContact CB-CG1 3.79Å; H61-V117 HydrophobicContact CB-CG2 4.33Å; T86-V117 HydrophobicContact CG2-CG1 3.84Å; L107-V117 HydrophobicContact CB-CB 4.16Å; L107-V117 HydrophobicContact CB-CG1 4.08Å; L107-V117 HydrophobicContact CB-CG2 4.46Å; L107-V117 HydrophobicContact CD2-CB 4.44Å; L107-V117 HydrophobicContact CD2-CG1 4.22Å; L107-V117 HydrophobicContact CD2-CG2 3.98Å; L107-V117 HydrophobicContact CG-CB 4.15Å; L107-V117 HydrophobicContact CG-CG1 4.31Å; L107-V117 HydrophobicContact CG-CG2 3.89Å; L108-V117 CarbonylContact O-C 3.58Å; L108-V117 WeakPolarHBondContact O-CA 3.4Å; L108-V117 WeakPolarHBondContact O-CB 3.48Å; G115-V117 PolarHBondContact O-N 3.39Å; V117-L119 HydrophobicContact CG2-CD2 4.21Å
118M98.7Very high97.4Very high0 Ų021 Ų210%015%0.145CC..EExtended strand (participates in β ladder)trans-85.6156.2158.3-46.7-179.8-75.400108.7L107 L108 P109 L129 Y130 T131 V136 W141 F144L107-M118 WeakPolarHBondContact CA-O 3.35Å; L108-M118 HydrophobicContact CB-CB 4.26Å; L108-M118 HydrophobicContact CB-CE 3.7Å; L108-M118 HydrophobicContact CD1-CE 4.34Å; L108-M118 PolarHBondContact N-O 3.3Å; L108-M118 PolarHBondContact O-N 2.6Å; P109-M118 WeakPolarHBondContact O-CE 3.01Å; M118-L129 HydrophobicContact CB-CD1 4.12Å; M118-Y130 CarbonylContact C-O 3.56Å; M118-Y130 WeakPolarHBondContact CA-O 3.4Å; M118-Y130 WeakPolarHBondContact CB-O 3.3Å; M118-T131 WeakPolarHBondContact CG-O 3.21Å; M118-T131 HydrophobicContact SD-CG2 4.49Å; M118-V136 HydrophobicContact CE-CG2 4.43Å; M118-W141 HydrophobicContact CE-CH2 3.76Å; M118-W141 HydrophobicContact CE-CZ2 4.28Å; M118-W141 HydrophobicContact CE-CZ3 3.94Å; M118-W141 HydrophobicContact SD-CH2 3.14Å; M118-W141 WeakPolarHBondContact SD-CH2 3.31Å; M118-W141 HydrophobicContact SD-CZ2 3.6Å; M118-W141 VanDerWaalsContact SD-CZ2 3.6Å; M118-W141 HydrophobicContact SD-CZ3 3.9Å; M118-F144 HydrophobicContact CE-CD2 4.19Å; M118-F144 HydrophobicContact CE-CE2 3.45Å; M118-F144 VanDerWaalsContact CE-CE2 3.45Å; M118-F144 HydrophobicContact CE-CZ 3.81Å
119L98.8Very high97.4Very high2 Ų221 Ų211%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-123114.9-177.1-57.3168.3000109.3V16 F30 L107 V117 F121 L129 Y130V16-L119 HydrophobicContact CB-CD1 4.4Å; V16-L119 HydrophobicContact CG1-CD1 3.51Å; V16-L119 HydrophobicContact CG2-CD1 3.95Å; F30-L119 HydrophobicContact CB-CD1 3.6Å; F30-L119 HydrophobicContact CD1-CD1 3.99Å; F30-L119 HydrophobicContact CD1-CD2 3.82Å; F30-L119 HydrophobicContact CE1-CD2 4.39Å; F30-L119 HydrophobicContact CG-CD1 3.94Å; L107-L119 HydrophobicContact CD1-CD2 3.73Å; L107-L119 HydrophobicContact CG-CD2 3.82Å; V117-L119 HydrophobicContact CG2-CD2 4.21Å; L119-F121 HydrophobicContact CB-CE1 4.31Å; L119-F121 HydrophobicContact CB-CE2 3.67Å; L119-F121 HydrophobicContact CB-CZ 3.55Å; L119-F121 HydrophobicContact CD1-CZ 3.91Å; L119-F121 HydrophobicContact CG-CZ 4.34Å; L119-L129 WeakPolarHBondContact O-CA 3.49Å; L119-Y130 HydrophobicContact CD1-CD1 4.18Å; L119-Y130 PolarHBondContact N-O 3.05Å; L119-Y130 PolarHBondContact O-N 2.84Å
120L98.7Very high97.4Very high0 Ų019.3 Ų19.30%013%0.133CC..EExtended strand (participates in β ladder)trans-96.3120.4171.9175.966.3000108.8V105 T106 L108 E122 P127 V128 L129 L146 L147 L156V105-L120 CarbonylContact C-O 3.45Å; V105-L120 VanDerWaalsContact CA-O 3.3Å; V105-L120 WeakPolarHBondContact CA-O 3.42Å; T106-L120 PolarHBondContact N-O 3.36Å; T106-L120 PolarHBondContact O-N 2.86Å; L108-L120 HydrophobicContact CD1-CB 4.47Å; L120-E122 HydrophobicContact CD1-CG 4.26Å; L120-E122 HydrophobicContact CD2-CG 4.35Å; L120-E122 HydrophobicContact CG-CG 3.99Å; L120-P127 HydrophobicContact CD1-CB 4.42Å; L120-V128 WeakPolarHBondContact CA-O 3.4Å; L120-L129 HydrophobicContact CB-CD1 4.15Å; L120-L146 HydrophobicContact CD2-CB 4.46Å; L120-L146 WeakPolarHBondContact CD2-O 3.25Å; L120-L147 HydrophobicContact CD1-CD2 4.43Å; L120-L147 HydrophobicContact CD2-CD2 4.33Å; L120-L156 HydrophobicContact CD1-CD2 4.37Å
121F98.6Very high97.5Very high0 Ų019.3 Ų19.30%013%0.133CC..EExtended strand (participates in β ladder)trans-108.5129.9176.5-52.5-81.1000109.9I8 Y11 I14 V16 F30 T104 V105 L119 P127 V128I8-F121 HydrophobicContact CD1-CE2 4.11Å; I8-F121 HydrophobicContact CG1-CE2 4.03Å; I8-F121 HydrophobicContact CG1-CZ 4.37Å; Y11-F121 HydrophobicContact CD2-CB 3.73Å; Y11-F121 HydrophobicContact CD2-CG 4.36Å; Y11-F121 HydrophobicContact CE2-CB 3.66Å; I14-F121 HydrophobicContact CD1-CD1 3.54Å; I14-F121 HydrophobicContact CD1-CE1 3.69Å; I14-F121 HydrophobicContact CD1-CG 4.44Å; I14-F121 HydrophobicContact CG2-CE1 3.85Å; I14-F121 HydrophobicContact CG2-CZ 4.03Å; V16-F121 HydrophobicContact CG2-CZ 4.04Å; F30-F121 HydrophobicContact CD2-CE1 4.43Å; F30-F121 HydrophobicContact CE2-CE1 4.13Å; F30-F121 HydrophobicContact CZ-CE1 4.28Å; T104-F121 CarbonylContact O-C 3.57Å; T104-F121 WeakPolarHBondContact O-CA 3.49Å; V105-F121 HydrophobicContact CB-CD1 4.4Å; V105-F121 HydrophobicContact CG1-CD1 4Å; V105-F121 HydrophobicContact CG1-CE1 3.86Å; V105-F121 HydrophobicContact CG2-CD1 3.7Å; V105-F121 HydrophobicContact CG2-CE1 4.04Å; L119-F121 HydrophobicContact CB-CE1 4.31Å; L119-F121 HydrophobicContact CB-CE2 3.67Å; L119-F121 HydrophobicContact CB-CZ 3.55Å; L119-F121 HydrophobicContact CD1-CZ 3.91Å; L119-F121 HydrophobicContact CG-CZ 4.34Å; F121-P127 CarbonylContact O-C 3.43Å; F121-P127 WeakPolarHBondContact O-CA 3.45Å; F121-V128 HydrophobicContact CB-CB 4.39Å; F121-V128 HydrophobicContact CD2-CB 4.49Å; F121-V128 HydrophobicContact CD2-CG1 4.4Å; F121-V128 PolarHBondContact N-O 3.01Å; F121-V128 PolarHBondContact O-N 2.82Å
122E97.9Very high97.6Very high44 Ų4417.8 Ų17.821%0.20612%0.117CC..EExtended strand (participates in β ladder)trans-134.9125.9-178.3-57.3-172.991.700110.8A103 T104 L120 P127 K154A103-E122 CarbonylContact C-O 3.55Å; A103-E122 WeakPolarHBondContact CA-O 3.46Å; T104-E122 PolarHBondContact N-O 2.96Å; T104-E122 PolarHBondContact O-N 2.83Å; L120-E122 HydrophobicContact CD1-CG 4.26Å; L120-E122 HydrophobicContact CD2-CG 4.35Å; L120-E122 HydrophobicContact CG-CG 3.99Å; E122-P127 HydrophobicContact CG-CB 4.38Å; E122-K154 WeakPolarHBondContact OE1-CE 3.42Å; E122-K154 IonicContact OE1-NZ 2.7Å; E122-K154 PolarHBondContact OE1-NZ 2.97Å; E122-K154 IonicContact OE2-NZ 3.77Å; E122-K154 PolarHBondContact OE2-NZ 3.49Å
123G96.5Very high97.6Very high36 Ų3617.8 Ų17.837%0.37112%0.118SC..EExtended strand (participates in β ladder)trans-174.7-158.8-173.500000111.3Y11 E125 G126Y11-G123 WeakPolarHBondContact OH-CA 3.37Å; Y11-G123 PolarHBondContact OH-N 2.79Å; G123-E125 PolarHBondContact O-N 3.02Å; G123-E125 VanDerWaalsContact O-N 3.13Å; G123-G126 PolarHBondContact O-N 2.96Å
124S95.2Very high97.7Very high103 Ų10317.2 Ų17.272%0.7211%0.114SC*.THydrogen-bonded Turntrans-61.3-23.3-175.156.70000114.2G126S124-G126 VanDerWaalsContact C-N 3.35Å
125E95.8Very high97.8Very high95 Ų9517.6 Ų17.644%0.44412%0.115SC..THydrogen-bonded Turntrans-92.13.3179.6-54.7-65.3149.100112.9E10 Y11 G123 T157E10-E125 HydrophobicContact CB-CB 3.86Å; E10-E125 HydrophobicContact CB-CG 4.45Å; E10-E125 HydrophobicContact CG-CB 4.46Å; E10-E125 WeakPolarHBondContact O-CG 3.25Å; Y11-E125 HydrophobicContact CE1-CB 4.29Å; G123-E125 PolarHBondContact O-N 3.02Å; G123-E125 VanDerWaalsContact O-N 3.13Å; E125-T157 PolarHBondContact O-OG1 2.87Å; E125-T157 VanDerWaalsContact O-OG1 3.07Å
126G96.9Very high97.9Very high19 Ų1917.8 Ų17.820%0.19611%0.114CC..  trans82.4179.6179.100000114.8Y11 G123 S124 V128Y11-G126 PolarHBondContact OH-N 3.41Å; Y11-G126 PolarHBondContact OH-O 2.87Å; G123-G126 PolarHBondContact O-N 2.96Å; S124-G126 VanDerWaalsContact C-N 3.35Å; G126-V128 PolarHBondContact O-N 3.4Å
127P98Very high97.7Very high28 Ų2819.2 Ų19.218%0.18212%0.124CC..  trans-71.8126-173.3-18.232.6000112.3L120 F121 E122 L156 T157L120-P127 HydrophobicContact CD1-CB 4.42Å; F121-P127 CarbonylContact O-C 3.43Å; F121-P127 WeakPolarHBondContact O-CA 3.45Å; E122-P127 HydrophobicContact CG-CB 4.38Å; P127-L156 HydrophobicContact CB-CD2 3.9Å; P127-T157 WeakPolarHBondContact O-CB 3.47Å; P127-T157 PolarHBondContact O-N 2.98Å
128V98.6Very high97.5Very high0 Ų022.5 Ų22.50%014%0.141CC..EExtended strand (participates in β ladder)trans-125129.4176.9175.90000109.3I8 E10 Y11 L120 F121 G126 S158 Y160I8-V128 HydrophobicContact CG2-CG1 3.88Å; E10-V128 HydrophobicContact CB-CG2 3.92Å; E10-V128 HydrophobicContact CG-CG2 3.76Å; Y11-V128 HydrophobicContact CD2-CB 4.43Å; Y11-V128 HydrophobicContact CD2-CG2 4.3Å; Y11-V128 HydrophobicContact CE2-CB 4.08Å; Y11-V128 HydrophobicContact CE2-CG2 3.8Å; L120-V128 WeakPolarHBondContact CA-O 3.4Å; F121-V128 HydrophobicContact CB-CB 4.39Å; F121-V128 HydrophobicContact CD2-CB 4.49Å; F121-V128 HydrophobicContact CD2-CG1 4.4Å; F121-V128 PolarHBondContact N-O 3.01Å; F121-V128 PolarHBondContact O-N 2.82Å; G126-V128 PolarHBondContact O-N 3.4Å; V128-S158 WeakPolarHBondContact CA-O 3.48Å; V128-Y160 HydrophobicContact CG1-CD2 3.72Å; V128-Y160 HydrophobicContact CG1-CE2 3.48Å; V128-Y160 VanDerWaalsContact CG1-CE2 3.48Å
129L98.8Very high97.3Very high0 Ų030 Ų300%017%0.174CC..EExtended strand (participates in β ladder)trans-113126.8178.4-176.464.2000110.3L108 M118 L119 L120 W141 L147 L156 S158 L159 Y160 L329L108-L129 HydrophobicContact CD1-CD1 4.28Å; M118-L129 HydrophobicContact CB-CD1 4.12Å; L119-L129 WeakPolarHBondContact O-CA 3.49Å; L120-L129 HydrophobicContact CB-CD1 4.15Å; L129-W141 HydrophobicContact CD2-CH2 3.9Å; L129-W141 HydrophobicContact CD2-CZ3 3.73Å; L129-L147 HydrophobicContact CD2-CD2 4.31Å; L129-L156 HydrophobicContact CB-CD1 3.96Å; L129-L156 HydrophobicContact CB-CD2 4.49Å; L129-L156 HydrophobicContact CD2-CD1 4.28Å; L129-S158 PolarHBondContact N-O 3.37Å; L129-L159 HydrophobicContact CB-CD1 3.9Å; L129-L159 HydrophobicContact CD2-CD1 3.85Å; L129-L159 HydrophobicContact CG-CD1 3.97Å; L129-L159 WeakPolarHBondContact O-CA 3.39Å; L129-Y160 PolarHBondContact O-N 3.27Å; L129-L329 HydrophobicContact CD2-CD1 4.12Å
130Y98.8Very high97.1Very high1 Ų131 Ų310%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-108.1121.9167.5174.7-91.4000109.7F4 I8 V16 D17 M118 L119 G132 Y160F4-Y130 HydrophobicContact CD1-CD2 4.5Å; F4-Y130 AromaticContact CD1-CE2 3.62Å; F4-Y130 HydrophobicContact CD1-CE2 3.62Å; F4-Y130 HydrophobicContact CE1-CD2 4.13Å; F4-Y130 AromaticContact CE1-CE2 3.66Å; F4-Y130 HydrophobicContact CE1-CE2 3.66Å; F4-Y130 HydrophobicContact CG-CE2 4.35Å; F4-Y130 HydrophobicContact CZ-CE2 4.43Å; I8-Y130 HydrophobicContact CD1-CD2 4.35Å; V16-Y130 HydrophobicContact CB-CE1 4.34Å; V16-Y130 HydrophobicContact CG1-CD1 3.69Å; V16-Y130 HydrophobicContact CG1-CE1 3.4Å; V16-Y130 HydrophobicContact CG1-CG 4.34Å; D17-Y130 WeakPolarHBondContact OD2-CE1 3.36Å; D17-Y130 PolarHBondContact OD2-OH 3.36Å; M118-Y130 CarbonylContact C-O 3.56Å; M118-Y130 WeakPolarHBondContact CA-O 3.4Å; M118-Y130 WeakPolarHBondContact CB-O 3.3Å; L119-Y130 HydrophobicContact CD1-CD1 4.18Å; L119-Y130 PolarHBondContact N-O 3.05Å; L119-Y130 PolarHBondContact O-N 2.84Å; Y130-G132 VanDerWaalsContact CD1-N 3.27Å; Y130-Y160 WeakPolarHBondContact CA-O 3.32Å; Y130-Y160 HydrophobicContact CD2-CG 4.35Å
131T98.6Very high96.9Very high1 Ų131.2 Ų31.21%0.00618%0.18CC..  trans-81.1-23.2-174.964.70000113.7M118 E134 W141 L159 Y160 F161 D162 M325M118-T131 WeakPolarHBondContact CG-O 3.21Å; M118-T131 HydrophobicContact SD-CG2 4.49Å; T131-E134 HydrophobicContact CG2-CG 4.35Å; T131-W141 HydrophobicContact CG2-CH2 4.44Å; T131-L159 HydrophobicContact CG2-CD1 3.93Å; T131-Y160 PolarHBondContact N-O 3.4Å; T131-Y160 PolarHBondContact OG1-O 3.07Å; T131-F161 HydrophobicContact CG2-CB 4.3Å; T131-F161 WeakPolarHBondContact OG1-CA 3.41Å; T131-D162 PolarHBondContact OG1-N 3.23Å; T131-M325 HydrophobicContact CG2-SD 4.46Å
132G97.9Very high96.7Very high3 Ų336.6 Ų36.63%0.03120%0.204CC..  trans58.1-149.2-159.900000110.2Y130 D162Y130-G132 VanDerWaalsContact CD1-N 3.27Å; G132-D162 WeakPolarHBondContact O-CB 3.37Å
133D97.9Very high96.5Very high8 Ų837.7 Ų37.74%0.04322%0.216CC..SBendtrans-80130.6164.1-70.8-3.1000108.4H33 H38 H112 H316H33-D133 IonicContact CE1-OD2 3.84Å; H33-D133 IonicContact NE2-OD2 2.99Å; H38-D133 IonicContact CE1-OD1 3.77Å; H38-D133 PolarHBondContact CE1-OD1 3.42Å; H38-D133 VanDerWaalsContact CE1-OD1 3.28Å; H38-D133 IonicContact NE2-OD1 3.82Å; H38-D133 PolarHBondContact NE2-OD1 3.1Å; H38-D133 IonicContact NE2-OD2 2.65Å; H38-D133 PolarHBondContact NE2-OD2 3.34Å; H112-D133 HydrophobicContact CB-CB 4.2Å; H112-D133 WeakPolarHBondContact CB-O 3.43Å; H112-D133 IonicContact CE1-OD2 2.66Å; H112-D133 IonicContact NE2-OD2 3.95Å; D133-H316 IonicContact OD1-CE1 3.81Å; D133-H316 IonicContact OD2-CE1 3.83Å; D133-H316 PolarHBondContact OD2-CE1 3.26Å; D133-H316 IonicContact OD2-NE2 2.72Å
134E97.3Very high96.4Very high1 Ų136.8 Ų36.81%0.00520%0.202CC..  trans-141.5149-173.478.176.9-154.400113.1G110 T131 V136 D162 N315 H316 S317G110-E134 VanDerWaalsContact O-CA 3.25Å; G110-E134 WeakPolarHBondContact O-CA 3.39Å; G110-E134 WeakPolarHBondContact O-CB 3.28Å; T131-E134 HydrophobicContact CG2-CG 4.35Å; E134-V136 PolarHBondContact OE2-N 3.28Å; E134-D162 HydrophobicContact CG-CB 4.3Å; E134-D162 PolarHBondContact N-OD2 3.37Å; E134-N315 CarbonylContact C-O 3.58Å; E134-H316 CarbonylContact O-C 3.6Å; E134-H316 VanDerWaalsContact O-CA 3.23Å; E134-H316 WeakPolarHBondContact O-CA 3.24Å; E134-S317 VanDerWaalsContact CD-OG 3.28Å; E134-S317 PolarHBondContact O-N 2.91Å; E134-S317 WeakPolarHBondContact OE1-CB 3.22Å; E134-S317 PolarHBondContact OE1-OG 2.78Å; E134-S317 PolarHBondContact OE2-OG 3.46Å
135R97.9Very high96.2Very high10 Ų1036 Ų364%0.03820%0.195CC..  trans-150.383.5157.9-174.9-178.6-163.9-167.7-1.3110.4G110 P174 R176 S314 N315 H316 E321G110-R135 PolarHBondContact O-N 2.64Å; G110-R135 VanDerWaalsContact O-N 3.11Å; R135-P174 PolarHBondContact NH1-O 2.93Å; R135-P174 PolarHBondContact NH2-O 2.83Å; R135-R176 VanDerWaalsContact CB-NH2 3.27Å; R135-R176 PolarHBondContact O-NH2 3.42Å; R135-S314 WeakPolarHBondContact CD-O 3.48Å; R135-S314 PolarHBondContact NH1-O 2.82Å; R135-N315 VanDerWaalsContact CB-C 3.47Å; R135-N315 VanDerWaalsContact CB-O 3.29Å; R135-N315 WeakPolarHBondContact CB-O 3.34Å; R135-H316 WeakPolarHBondContact CD-O 3.47Å; R135-E321 IonicContact CZ-OE1 3.18Å; R135-E321 IonicContact CZ-OE2 2.95Å; R135-E321 IonicContact NE-OE1 2.75Å; R135-E321 PolarHBondContact NE-OE1 2.88Å; R135-E321 IonicContact NE-OE2 2.79Å; R135-E321 PolarHBondContact NE-OE2 2.94Å; R135-E321 IonicContact NH2-OE1 3.4Å; R135-E321 PolarHBondContact NH2-OE1 3.02Å; R135-E321 IonicContact NH2-OE2 3.46Å; R135-E321 PolarHBondContact NH2-OE2 3.37Å
136V97.5Very high96.2Very high14 Ų1433.5 Ų33.59%0.08518%0.184CC..  trans-103.1137-179.9-179.80000109.6G110 M118 E134 D140 W141 F144G110-V136 WeakPolarHBondContact O-CG2 3.43Å; M118-V136 HydrophobicContact CE-CG2 4.43Å; E134-V136 PolarHBondContact OE2-N 3.28Å; V136-D140 HydrophobicContact CG1-CB 3.54Å; V136-W141 HydrophobicContact CB-CZ2 4.4Å; V136-W141 HydrophobicContact CG1-CD2 4.35Å; V136-W141 HydrophobicContact CG1-CG 4.15Å; V136-W141 PolarHBondContact O-NE1 2.82Å; V136-F144 HydrophobicContact CG1-CE2 3.8Å; V136-F144 HydrophobicContact CG1-CZ 3.88Å
137S95.2Very high96.1Very high36 Ų3632.7 Ų32.725%0.25218%0.175SC..  trans-69.6150.6178.979.40000110.8F139 D140 W141S137-F139 PolarHBondContact O-N 2.81Å; S137-F139 VanDerWaalsContact O-N 3.15Å; S137-D140 PolarHBondContact O-N 2.92Å; S137-D140 PolarHBondContact OG-N 2.7Å; S137-D140 VanDerWaalsContact OG-N 3.13Å; S137-D140 PolarHBondContact OG-OD2 3.39Å; S137-W141 VanDerWaalsContact O-CD1 3.29Å; S137-W141 PolarHBondContact O-N 3.03Å
138L94.7Very high96Very high72 Ų7233 Ų3338%0.37717%0.174SC..Hα-helixtrans-60.2-27.2176.2-173.263.3000112.6K142 A324 Y328L138-K142 WeakPolarHBondContact O-CG 3.4Å; L138-K142 PolarHBondContact O-N 3.49Å; L138-A324 HydrophobicContact CD2-CB 4.49Å; L138-Y328 HydrophobicContact CD1-CG 4.2Å
139F94.9Very high95.7Very high158 Ų15837.7 Ų37.769%0.69320%0.198SC*.Hα-helixtrans-65.6-44.4172.7177.7-94.7000111.4S137 K142 S143S137-F139 PolarHBondContact O-N 2.81Å; S137-F139 VanDerWaalsContact O-N 3.15Å; F139-K142 PolarHBondContact O-N 2.96Å; F139-S143 PolarHBondContact O-N 2.83Å
140D93.9Very high95.3Very high23 Ų2345.5 Ų45.512%0.12324%0.24CC..Hα-helixtrans-70.3-36.1179-61.4-37.3000112V136 S137 K142 S143 F144 S416V136-D140 HydrophobicContact CG1-CB 3.54Å; S137-D140 PolarHBondContact O-N 2.92Å; S137-D140 PolarHBondContact OG-N 2.7Å; S137-D140 VanDerWaalsContact OG-N 3.13Å; S137-D140 PolarHBondContact OG-OD2 3.39Å; D140-K142 PolarHBondContact O-N 2.58Å; D140-S143 WeakPolarHBondContact CA-OG 3.45Å; D140-S143 PolarHBondContact O-N 3.06Å; D140-S143 PolarHBondContact O-OG 2.79Å; D140-F144 WeakPolarHBondContact O-CD2 3.24Å; D140-F144 PolarHBondContact O-N 3.11Å; D140-S416 VanDerWaalsContact CG-OG 3.25Å; D140-S416 PolarHBondContact OD1-OG 3.29Å; D140-S416 WeakPolarHBondContact OD2-CB 3.14Å; D140-S416 PolarHBondContact OD2-OG 3.44Å
141W94.8Very high94.9Very high3 Ų348.5 Ų48.51%0.01127%0.272CS..Hα-helixtrans-54.9-39.4172.1-84.4112.4000112.8M118 L129 T131 V136 S137 S143 F144 L147 M325 Y328 L329M118-W141 HydrophobicContact CE-CH2 3.76Å; M118-W141 HydrophobicContact CE-CZ2 4.28Å; M118-W141 HydrophobicContact CE-CZ3 3.94Å; M118-W141 HydrophobicContact SD-CH2 3.14Å; M118-W141 WeakPolarHBondContact SD-CH2 3.31Å; M118-W141 HydrophobicContact SD-CZ2 3.6Å; M118-W141 VanDerWaalsContact SD-CZ2 3.6Å; M118-W141 HydrophobicContact SD-CZ3 3.9Å; L129-W141 HydrophobicContact CD2-CH2 3.9Å; L129-W141 HydrophobicContact CD2-CZ3 3.73Å; T131-W141 HydrophobicContact CG2-CH2 4.44Å; V136-W141 HydrophobicContact CB-CZ2 4.4Å; V136-W141 HydrophobicContact CG1-CD2 4.35Å; V136-W141 HydrophobicContact CG1-CG 4.15Å; V136-W141 PolarHBondContact O-NE1 2.82Å; S137-W141 VanDerWaalsContact O-CD1 3.29Å; S137-W141 PolarHBondContact O-N 3.03Å; W141-S143 VanDerWaalsContact C-N 3.29Å; W141-F144 HydrophobicContact CD2-CE2 4.29Å; W141-F144 AromaticContact CE3-CD2 3.95Å; W141-F144 HydrophobicContact CE3-CD2 3.95Å; W141-F144 HydrophobicContact CE3-CE2 4.02Å; W141-F144 HydrophobicContact CZ3-CD2 4.43Å; W141-F144 HydrophobicContact CZ3-CE2 4.41Å; W141-L147 HydrophobicContact CE3-CD1 3.71Å; W141-L147 HydrophobicContact CZ3-CD1 3.77Å; W141-M325 HydrophobicContact CD2-CG 4.09Å; W141-M325 HydrophobicContact CH2-CG 4.29Å; W141-M325 HydrophobicContact CH2-SD 3.88Å; W141-M325 HydrophobicContact CZ2-CG 3.7Å; W141-M325 HydrophobicContact CZ2-SD 3.25Å; W141-M325 WeakPolarHBondContact CZ2-SD 3.45Å; W141-Y328 HydrophobicContact CB-CD1 4.3Å; W141-Y328 HydrophobicContact CB-CE1 4.41Å; W141-L329 HydrophobicContact CE3-CD1 4.21Å; W141-L329 HydrophobicContact CE3-CD2 4.17Å; W141-L329 HydrophobicContact CH2-CD1 4.14Å; W141-L329 HydrophobicContact CZ3-CD1 3.84Å; W141-L329 HydrophobicContact CZ3-CD2 4.34Å
142K93.9Very high94.6Very high114 Ų11455.7 Ų55.750%0.49631%0.305SS..Hα-helixtrans-74.1-19.7177.3-69.1172.6177.8-171.80113.1L138 F139 D140 H148 Y328L138-K142 WeakPolarHBondContact O-CG 3.4Å; L138-K142 PolarHBondContact O-N 3.49Å; F139-K142 PolarHBondContact O-N 2.96Å; D140-K142 PolarHBondContact O-N 2.58Å; K142-H148 PolarHBondContact O-CE1 3.41Å; K142-Y328 HydrophobicContact CD-CE2 4.4Å; K142-Y328 HydrophobicContact CG-CD2 4.34Å; K142-Y328 HydrophobicContact CG-CE1 4.06Å; K142-Y328 HydrophobicContact CG-CE2 3.67Å
143S92.9Very high94.5Very high67 Ų6758 Ų5847%0.46932%0.316SS..Hα-helixtrans-94.1-10.8-17675.80000113.6F139 D140 W141 P145F139-S143 PolarHBondContact O-N 2.83Å; D140-S143 WeakPolarHBondContact CA-OG 3.45Å; D140-S143 PolarHBondContact O-N 3.06Å; D140-S143 PolarHBondContact O-OG 2.79Å; W141-S143 VanDerWaalsContact C-N 3.29Å; S143-P145 WeakPolarHBondContact O-CD 3.23Å; S143-P145 VanDerWaalsContact O-N 3.13Å
144F94.4Very high94.5Very high17 Ų1758.6 Ų58.68%0.07532%0.319CS..  trans-67.6107.4175.7-66.5-46.5000111.5P109 M118 V136 D140 W141 L146 L147 H148P109-F144 HydrophobicContact CB-CE1 4.49Å; P109-F144 HydrophobicContact CG-CE1 4.16Å; M118-F144 HydrophobicContact CE-CD2 4.19Å; M118-F144 HydrophobicContact CE-CE2 3.45Å; M118-F144 VanDerWaalsContact CE-CE2 3.45Å; M118-F144 HydrophobicContact CE-CZ 3.81Å; V136-F144 HydrophobicContact CG1-CE2 3.8Å; V136-F144 HydrophobicContact CG1-CZ 3.88Å; D140-F144 WeakPolarHBondContact O-CD2 3.24Å; D140-F144 PolarHBondContact O-N 3.11Å; W141-F144 HydrophobicContact CD2-CE2 4.29Å; W141-F144 AromaticContact CE3-CD2 3.95Å; W141-F144 HydrophobicContact CE3-CD2 3.95Å; W141-F144 HydrophobicContact CE3-CE2 4.02Å; W141-F144 HydrophobicContact CZ3-CD2 4.43Å; W141-F144 HydrophobicContact CZ3-CE2 4.41Å; F144-L146 VanDerWaalsContact C-N 3.27Å; F144-L146 PolarHBondContact O-N 2.9Å; F144-L147 HydrophobicContact CB-CB 4.45Å; F144-L147 HydrophobicContact CB-CD1 3.91Å; F144-L147 HydrophobicContact CB-CG 4Å; F144-L147 HydrophobicContact CD2-CD1 3.88Å; F144-L147 HydrophobicContact CG-CD1 4.38Å; F144-L147 PolarHBondContact O-N 2.77Å; F144-H148 PolarHBondContact O-CE1 2.75Å; F144-H148 PolarHBondContact O-ND1 2.98Å
145P92.6Very high94.5Very high87 Ų8763.4 Ų63.457%0.56534%0.341SS*.G310 helixtrans-66-32.9-171.426.4-33.7000112S143 L147 H148S143-P145 WeakPolarHBondContact O-CD 3.23Å; S143-P145 VanDerWaalsContact O-N 3.13Å; P145-L147 PolarHBondContact O-N 3.37Å; P145-H148 PolarHBondContact O-N 3.12Å; P145-H148 VanDerWaalsContact O-O 3.09Å
146L94.7Very high94.5Very high41 Ų4163 Ų6322%0.21534%0.34CS..G310 helixtrans-77.9-5.2-175.8-64.3168.8000113.7N87 P89 T106 L108 L120 F144 H148 K154N87-L146 HydrophobicContact CB-CD1 4.14Å; P89-L146 HydrophobicContact CG-CD1 4.37Å; P89-L146 HydrophobicContact CG-CD2 4.38Å; T106-L146 HydrophobicContact CG2-CB 4.45Å; T106-L146 HydrophobicContact CG2-CD1 3.28Å; T106-L146 HydrophobicContact CG2-CG 4.45Å; L108-L146 HydrophobicContact CD2-CB 4.41Å; L120-L146 HydrophobicContact CD2-CB 4.46Å; L120-L146 WeakPolarHBondContact CD2-O 3.25Å; F144-L146 VanDerWaalsContact C-N 3.27Å; F144-L146 PolarHBondContact O-N 2.9Å; L146-H148 VanDerWaalsContact C-N 3.32Å; L146-K154 VanDerWaalsContact O-CE 3.23Å; L146-K154 WeakPolarHBondContact O-CE 3.31Å; L146-K154 PolarHBondContact O-NZ 2.92Å
147L95.9Very high94.5Very high2 Ų263.9 Ų63.91%0.0135%0.345CS..G310 helixtrans-85.9-6.1166-64.3-178.7000112.6L108 L120 L129 W141 F144 P145 L153 K154 L329L108-L147 HydrophobicContact CD1-CD1 4.43Å; L108-L147 HydrophobicContact CD1-CD2 3.91Å; L108-L147 HydrophobicContact CD1-CG 4.05Å; L120-L147 HydrophobicContact CD1-CD2 4.43Å; L120-L147 HydrophobicContact CD2-CD2 4.33Å; L129-L147 HydrophobicContact CD2-CD2 4.31Å; W141-L147 HydrophobicContact CE3-CD1 3.71Å; W141-L147 HydrophobicContact CZ3-CD1 3.77Å; F144-L147 HydrophobicContact CB-CB 4.45Å; F144-L147 HydrophobicContact CB-CD1 3.91Å; F144-L147 HydrophobicContact CB-CG 4Å; F144-L147 HydrophobicContact CD2-CD1 3.88Å; F144-L147 HydrophobicContact CG-CD1 4.38Å; F144-L147 PolarHBondContact O-N 2.77Å; P145-L147 PolarHBondContact O-N 3.37Å; L147-L153 HydrophobicContact CB-CD1 4.16Å; L147-L153 WeakPolarHBondContact O-CD1 3.5Å; L147-K154 WeakPolarHBondContact O-CB 3.3Å; L147-K154 WeakPolarHBondContact O-CG 3.22Å; L147-K154 PolarHBondContact O-N 2.74Å; L147-L329 HydrophobicContact CD1-CD2 4.14Å
148H95.6Very high94.7Very high35 Ų3562.2 Ų62.216%0.16233%0.333CS..EExtended strand (participates in β ladder)trans-120.2150.6-175.9-54.382.8000110.9K142 F144 P145 L146 E152 Y328K142-H148 PolarHBondContact O-CE1 3.41Å; F144-H148 PolarHBondContact O-CE1 2.75Å; F144-H148 PolarHBondContact O-ND1 2.98Å; P145-H148 PolarHBondContact O-N 3.12Å; P145-H148 VanDerWaalsContact O-O 3.09Å; L146-H148 VanDerWaalsContact C-N 3.32Å; H148-E152 CarbonylContact C-O 3.56Å; H148-E152 WeakPolarHBondContact CA-O 3.42Å; H148-E152 WeakPolarHBondContact CB-O 3.49Å; H148-Y328 AromaticContact NE2-CZ 3.89Å; H148-Y328 PolarHBondContact NE2-OH 3.29Å
149I91.7Very high94.9Very high99 Ų9958.8 Ų58.851%0.50832%0.316SS..EExtended strand (participates in β ladder)trans-127124.7167.9-61.5173.1000105.7G151 E152 K154I149-G151 PolarHBondContact O-N 2.78Å; I149-G151 VanDerWaalsContact O-N 3.1Å; I149-E152 PolarHBondContact N-O 3.27Å; I149-E152 PolarHBondContact O-N 2.67Å; I149-K154 HydrophobicContact CD1-CD 4.22Å; I149-K154 HydrophobicContact CD1-CG 3.79Å; I149-K154 HydrophobicContact CG1-CD 4.16Å; I149-K154 VanDerWaalsContact CG1-CE 3.41Å; I149-K154 HydrophobicContact CG1-CG 3.71Å
150D90.8Very high95Very high163 Ų16351.3 Ų51.387%0.87228%0.283SS*.THydrogen-bonded Turntrans52.733.9-180-56.2-36.4000114.3E152D150-E152 VanDerWaalsContact C-N 3.25Å; D150-E152 PolarHBondContact O-N 2.92Å
151G89Confident95.2Very high65 Ų6550.2 Ų50.267%0.6728%0.277SS*.THydrogen-bonded Turntrans84-10.4-178.700000114.8I149I149-G151 PolarHBondContact O-N 2.78Å; I149-G151 VanDerWaalsContact O-N 3.1Å
152E93.7Very high95.3Very high152 Ų15250.3 Ų50.371%0.7128%0.278SS*.EExtended strand (participates in β ladder)trans-95.1143.8177.5-67.3-59.8149.600111.4H148 I149 D150 K154H148-E152 CarbonylContact C-O 3.56Å; H148-E152 WeakPolarHBondContact CA-O 3.42Å; H148-E152 WeakPolarHBondContact CB-O 3.49Å; I149-E152 PolarHBondContact N-O 3.27Å; I149-E152 PolarHBondContact O-N 2.67Å; D150-E152 VanDerWaalsContact C-N 3.25Å; D150-E152 PolarHBondContact O-N 2.92Å; E152-K154 PolarHBondContact O-N 2.9Å
153L96Very high95.5Very high50 Ų5044.9 Ų44.926%0.26225%0.254SS..EExtended strand (participates in β ladder)trans-68.7132.7-179.7-174.971.1000110.9L147 Q155 Y328 L329L147-L153 HydrophobicContact CB-CD1 4.16Å; L147-L153 WeakPolarHBondContact O-CD1 3.5Å; L153-Q155 PolarHBondContact O-N 2.94Å; L153-Y328 HydrophobicContact CD1-CE1 3.94Å; L153-Y328 HydrophobicContact CD2-CE1 4.35Å; L153-Y328 WeakPolarHBondContact CD2-O 3.24Å; L153-L329 HydrophobicContact CD1-CD2 4.11Å; L153-L329 HydrophobicContact CD2-CD2 4.47Å
154K96.4Very high95.6Very high22 Ų2242.6 Ų42.610%0.09624%0.237CC..PPolyproline II helixtrans-60.8130172.4-70.6177.3-178.5178.10110E122 L146 L147 I149 E152 L156E122-K154 WeakPolarHBondContact OE1-CE 3.42Å; E122-K154 IonicContact OE1-NZ 2.7Å; E122-K154 PolarHBondContact OE1-NZ 2.97Å; E122-K154 IonicContact OE2-NZ 3.77Å; E122-K154 PolarHBondContact OE2-NZ 3.49Å; L146-K154 VanDerWaalsContact O-CE 3.23Å; L146-K154 WeakPolarHBondContact O-CE 3.31Å; L146-K154 PolarHBondContact O-NZ 2.92Å; L147-K154 WeakPolarHBondContact O-CB 3.3Å; L147-K154 WeakPolarHBondContact O-CG 3.22Å; L147-K154 PolarHBondContact O-N 2.74Å; I149-K154 HydrophobicContact CD1-CD 4.22Å; I149-K154 HydrophobicContact CD1-CG 3.79Å; I149-K154 HydrophobicContact CG1-CD 4.16Å; I149-K154 VanDerWaalsContact CG1-CE 3.41Å; I149-K154 HydrophobicContact CG1-CG 3.71Å; E152-K154 PolarHBondContact O-N 2.9Å; K154-L156 PolarHBondContact O-N 3.07Å
155Q97.2Very high95.6Very high102 Ų10242.1 Ų42.148%0.47724%0.235SC..  trans-71.4101.2170.5-179.959.675.200109.8L153 T157 K330 K332L153-Q155 PolarHBondContact O-N 2.94Å; Q155-T157 PolarHBondContact O-N 3.48Å; Q155-K330 PolarHBondContact NE2-O 2.96Å; Q155-K332 HydrophobicContact CG-CG 4.47Å
156L98.3Very high95.8Very high2 Ų238 Ų381%0.0121%0.208CC..  trans-66133.7176.8-58.7-178.1000110.7L120 P127 L129 K154 L329 P331 K332L120-L156 HydrophobicContact CD1-CD2 4.37Å; P127-L156 HydrophobicContact CB-CD2 3.9Å; L129-L156 HydrophobicContact CB-CD1 3.96Å; L129-L156 HydrophobicContact CB-CD2 4.49Å; L129-L156 HydrophobicContact CD2-CD1 4.28Å; K154-L156 PolarHBondContact O-N 3.07Å; L156-L329 HydrophobicContact CD1-CB 4.25Å; L156-L329 HydrophobicContact CD1-CD1 4.32Å; L156-P331 HydrophobicContact CB-CB 3.96Å; L156-K332 PolarHBondContact O-N 2.98Å
157T98.3Very high95.8Very high32 Ų3237.6 Ų37.620%0.19621%0.207CC..SBendtrans-64.1-52.3165.9-62.50000109E10 E125 P127 Q155 K332 S333E10-T157 HydrophobicContact CG-CG2 4.29Å; E125-T157 PolarHBondContact O-OG1 2.87Å; E125-T157 VanDerWaalsContact O-OG1 3.07Å; P127-T157 WeakPolarHBondContact O-CB 3.47Å; P127-T157 PolarHBondContact O-N 2.98Å; Q155-T157 PolarHBondContact O-N 3.48Å; T157-K332 WeakPolarHBondContact O-CB 3.42Å; T157-S333 PolarHBondContact O-N 3.21Å
158S98.4Very high95.6Very high1 Ų140.9 Ų40.91%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-143.3142.9-175.1-64.90000111.9E10 V128 L129 S333 Y335E10-S158 VanDerWaalsContact OE1-CB 3.25Å; E10-S158 WeakPolarHBondContact OE1-CB 3.43Å; E10-S158 PolarHBondContact OE1-OG 3.1Å; V128-S158 WeakPolarHBondContact CA-O 3.48Å; L129-S158 PolarHBondContact N-O 3.37Å; S158-S333 WeakPolarHBondContact CA-O 3.16Å; S158-Y335 WeakPolarHBondContact OG-CE2 3.39Å
159L98.6Very high95.5Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-120.8116.817117567.4000109.4L129 T131 F161 M325 V326 L329 P331 S333 L334 Y335L129-L159 HydrophobicContact CB-CD1 3.9Å; L129-L159 HydrophobicContact CD2-CD1 3.85Å; L129-L159 HydrophobicContact CG-CD1 3.97Å; L129-L159 WeakPolarHBondContact O-CA 3.39Å; T131-L159 HydrophobicContact CG2-CD1 3.93Å; L159-F161 HydrophobicContact CD2-CB 4.35Å; L159-F161 HydrophobicContact CG-CB 4.12Å; L159-M325 HydrophobicContact CD2-CE 4.1Å; L159-V326 HydrophobicContact CD2-CG2 3.94Å; L159-L329 HydrophobicContact CD1-CD1 4.23Å; L159-L329 HydrophobicContact CD2-CD1 4.05Å; L159-P331 HydrophobicContact CB-CB 3.74Å; L159-P331 HydrophobicContact CB-CG 3.73Å; L159-P331 HydrophobicContact CD2-CG 4.03Å; L159-S333 PolarHBondContact N-O 3.37Å; L159-L334 HydrophobicContact CB-CD2 4.01Å; L159-L334 HydrophobicContact CD2-CD2 3.92Å; L159-L334 HydrophobicContact CG-CD2 4.32Å; L159-Y335 PolarHBondContact O-N 3.1Å
160Y98.6Very high95.7Very high1 Ų138.3 Ų38.30%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-95106.7170.8-64.1-107.5000107.7F4 I8 A9 E10 V128 L129 Y130 T131 Y335F4-Y160 HydrophobicContact CD2-CD1 4.47Å; F4-Y160 AromaticContact CE2-CD1 3.66Å; F4-Y160 HydrophobicContact CE2-CD1 3.66Å; F4-Y160 AromaticContact CE2-CE1 3.82Å; F4-Y160 HydrophobicContact CE2-CE1 3.82Å; F4-Y160 AromaticContact CZ-CD1 3.95Å; F4-Y160 HydrophobicContact CZ-CD1 3.95Å; F4-Y160 HydrophobicContact CZ-CE1 4.12Å; I8-Y160 HydrophobicContact CD1-CD1 4.47Å; I8-Y160 HydrophobicContact CD1-CD2 4.38Å; I8-Y160 HydrophobicContact CD1-CE1 4.46Å; I8-Y160 HydrophobicContact CD1-CE2 4.4Å; I8-Y160 HydrophobicContact CD1-CG 4.44Å; I8-Y160 HydrophobicContact CG2-CE2 4.17Å; A9-Y160 WeakPolarHBondContact CB-OH 3.37Å; A9-Y160 PolarHBondContact N-OH 3.28Å; E10-Y160 WeakPolarHBondContact OE2-CE2 3.07Å; E10-Y160 PolarHBondContact OE2-OH 2.75Å; V128-Y160 HydrophobicContact CG1-CD2 3.72Å; V128-Y160 HydrophobicContact CG1-CE2 3.48Å; V128-Y160 VanDerWaalsContact CG1-CE2 3.48Å; L129-Y160 PolarHBondContact O-N 3.27Å; Y130-Y160 WeakPolarHBondContact CA-O 3.32Å; Y130-Y160 HydrophobicContact CD2-CG 4.35Å; T131-Y160 PolarHBondContact N-O 3.4Å; T131-Y160 PolarHBondContact OG1-O 3.07Å; Y160-Y335 CarbonylContact C-O 3.28Å; Y160-Y335 VanDerWaalsContact CA-O 3.29Å; Y160-Y335 WeakPolarHBondContact CA-O 3.47Å; Y160-Y335 VanDerWaalsContact CD1-CB 3.42Å; Y160-Y335 HydrophobicContact CD1-CD1 4.17Å; Y160-Y335 HydrophobicContact CD1-CD2 4.43Å; Y160-Y335 AromaticContact CD1-CG 3.8Å; Y160-Y335 HydrophobicContact CD1-CG 3.8Å; Y160-Y335 HydrophobicContact CD2-CD2 4.29Å; Y160-Y335 HydrophobicContact CD2-CG 4.45Å; Y160-Y335 AromaticContact CE1-CD1 3.59Å; Y160-Y335 HydrophobicContact CE1-CD1 3.59Å; Y160-Y335 HydrophobicContact CE1-CD2 4.15Å; Y160-Y335 HydrophobicContact CE1-CE1 4.16Å; Y160-Y335 AromaticContact CE1-CG 3.59Å; Y160-Y335 HydrophobicContact CE1-CG 3.59Å; Y160-Y335 AromaticContact CE2-CD2 3.98Å; Y160-Y335 HydrophobicContact CE2-CD2 3.98Å; Y160-Y335 HydrophobicContact CE2-CE2 4.27Å; Y160-Y335 HydrophobicContact CE2-CG 4.25Å; Y160-Y335 HydrophobicContact CG-CD2 4.49Å; Y160-Y335 HydrophobicContact CG-CG 4.22Å; Y160-Y335 AromaticContact CZ-CD1 3.92Å; Y160-Y335 AromaticContact CZ-CD2 3.91Å; Y160-Y335 AromaticContact CZ-CG 3.82Å
161F98Very high96Very high0 Ų037 Ų370%020%0.197CC..EExtended strand (participates in β ladder)trans-117.6152.1-166.472.2-79.7000113.8T131 L159 S163 V322 M325 L334 Y335 P336 C337 L357T131-F161 HydrophobicContact CG2-CB 4.3Å; T131-F161 WeakPolarHBondContact OG1-CA 3.41Å; L159-F161 HydrophobicContact CD2-CB 4.35Å; L159-F161 HydrophobicContact CG-CB 4.12Å; F161-S163 PolarHBondContact O-N 3.1Å; F161-S163 VanDerWaalsContact O-N 3.09Å; F161-V322 HydrophobicContact CD2-CG1 3.66Å; F161-V322 HydrophobicContact CE2-CG1 3.75Å; F161-M325 HydrophobicContact CB-CE 4.14Å; F161-L334 HydrophobicContact CD1-CD2 4.29Å; F161-L334 HydrophobicContact CE1-CB 4.16Å; F161-L334 HydrophobicContact CE1-CD2 4.4Å; F161-Y335 WeakPolarHBondContact CD1-O 3.33Å; F161-Y335 PolarHBondContact N-O 2.66Å; F161-P336 HydrophobicContact CE1-CB 3.75Å; F161-P336 HydrophobicContact CE1-CG 4.45Å; F161-P336 HydrophobicContact CE2-CB 4.41Å; F161-P336 HydrophobicContact CZ-CB 3.66Å; F161-C337 WeakPolarHBondContact O-CB 3.44Å; F161-C337 PolarHBondContact O-N 3.06Å; F161-L357 HydrophobicContact CE2-CD1 4.27Å; F161-L357 HydrophobicContact CZ-CD1 4.19Å
162D97.3Very high96.3Very high5 Ų540.2 Ų40.23%0.02720%0.195CC..  trans-63.9105.4169.9-173.9-1.4000110.6T131 G132 E134 T164 H316T131-D162 PolarHBondContact OG1-N 3.23Å; G132-D162 WeakPolarHBondContact O-CB 3.37Å; E134-D162 HydrophobicContact CG-CB 4.3Å; E134-D162 PolarHBondContact N-OD2 3.37Å; D162-T164 WeakPolarHBondContact OD1-CB 3.42Å; D162-T164 PolarHBondContact OD1-N 3.21Å; D162-T164 PolarHBondContact OD1-OG1 2.93Å; D162-H316 IonicContact OD1-ND1 3.77Å; D162-H316 IonicContact OD2-CE1 3.53Å; D162-H316 IonicContact OD2-CG 3.84Å; D162-H316 IonicContact OD2-ND1 3.79Å; D162-H316 PolarHBondContact OD2-ND1 2.89Å
163S96.5Very high96.5Very high0 Ų034 Ų340%017%0.166CC..  trans-103.714.7176.858.20000113.6F161 F165 C166 P336 C337 V338F161-S163 PolarHBondContact O-N 3.1Å; F161-S163 VanDerWaalsContact O-N 3.09Å; S163-F165 PolarHBondContact O-N 3.14Å; S163-F165 VanDerWaalsContact O-N 3.11Å; S163-C166 WeakPolarHBondContact O-CB 3.36Å; S163-C166 PolarHBondContact O-N 2.74Å; S163-P336 WeakPolarHBondContact OG-CB 3.27Å; S163-C337 PolarHBondContact OG-N 3.01Å; S163-V338 WeakPolarHBondContact OG-CA 3.38Å; S163-V338 PolarHBondContact OG-N 2.68Å; S163-V338 PolarHBondContact OG-O 3.39Å
164T95.1Very high96.6Very high18 Ų1832.2 Ų32.211%0.1116%0.157CC..THydrogen-bonded Turntrans-51.4-41.1-174.8-64.10000112.6D162 M289D162-T164 WeakPolarHBondContact OD1-CB 3.42Å; D162-T164 PolarHBondContact OD1-N 3.21Å; D162-T164 PolarHBondContact OD1-OG1 2.93Å; T164-M289 HydrophobicContact CG2-CE 4.43Å
165F95.5Very high96.6Very high8 Ų833.1 Ų33.14%0.03517%0.166CC..THydrogen-bonded Turntrans-115.527.3-179.3-64.1-63.9000113.3S163 T167 T170 F173 V288 M289 A292 H316S163-F165 PolarHBondContact O-N 3.14Å; S163-F165 VanDerWaalsContact O-N 3.11Å; F165-T167 VanDerWaalsContact C-N 3.26Å; F165-T167 PolarHBondContact O-N 3.05Å; F165-T170 HydrophobicContact CB-CG2 4.4Å; F165-T170 HydrophobicContact CD1-CG2 3.96Å; F165-T170 WeakPolarHBondContact O-CB 3.37Å; F165-T170 PolarHBondContact O-OG1 3.48Å; F165-F173 HydrophobicContact CB-CE2 3.88Å; F165-F173 HydrophobicContact CB-CZ 3.71Å; F165-F173 AromaticContact CD1-CZ 3.91Å; F165-F173 HydrophobicContact CD1-CZ 3.91Å; F165-F173 AromaticContact CD2-CE2 3.79Å; F165-F173 HydrophobicContact CD2-CE2 3.79Å; F165-F173 AromaticContact CD2-CZ 4Å; F165-F173 HydrophobicContact CD2-CZ 4Å; F165-F173 AromaticContact CG-CE2 3.81Å; F165-F173 HydrophobicContact CG-CE2 3.81Å; F165-F173 AromaticContact CG-CZ 3.59Å; F165-F173 HydrophobicContact CG-CZ 3.59Å; F165-V288 HydrophobicContact CE1-CG1 4.38Å; F165-V288 HydrophobicContact CE1-CG2 4.01Å; F165-V288 HydrophobicContact CE2-CG1 3.69Å; F165-V288 HydrophobicContact CE2-CG2 4.1Å; F165-V288 HydrophobicContact CZ-CB 4.22Å; F165-V288 HydrophobicContact CZ-CG1 3.44Å; F165-V288 VanDerWaalsContact CZ-CG1 3.44Å; F165-V288 HydrophobicContact CZ-CG2 3.8Å; F165-M289 HydrophobicContact CE1-CE 3.94Å; F165-M289 HydrophobicContact CE1-SD 4.36Å; F165-M289 HydrophobicContact CZ-CE 3.88Å; F165-A292 HydrophobicContact CD1-CB 4.16Å; F165-A292 HydrophobicContact CE1-CB 3.87Å; F165-H316 HydrophobicContact CD2-CB 3.47Å; F165-H316 VanDerWaalsContact CD2-CB 3.47Å; F165-H316 HydrophobicContact CE2-CB 3.57Å; F165-H316 AromaticContact CE2-CD2 3.78Å; F165-H316 AromaticContact CE2-CG 3.75Å
166C95.9Very high96.5Very high0 Ų030.6 Ų30.60%015%0.153CC..  trans-76.777.7167.8-73.10000110.2S163 F319 F348 F351 L352S163-C166 WeakPolarHBondContact O-CB 3.36Å; S163-C166 PolarHBondContact O-N 2.74Å; C166-F319 HydrophobicContact CB-CD2 4.01Å; C166-F319 HydrophobicContact CB-CE2 4.39Å; C166-F348 HydrophobicContact CB-CE2 3.82Å; C166-F348 HydrophobicContact CB-CZ 4.09Å; C166-F348 WeakPolarHBondContact O-CE2 3.2Å; C166-F351 VanDerWaalsContact C-CE1 3.5Å; C166-F351 HydrophobicContact CB-CE1 4.37Å; C166-F351 WeakPolarHBondContact O-CE1 3.35Å; C166-L352 HydrophobicContact CB-CD2 4.18Å
167T94.5Very high96.5Very high32 Ų3232.5 Ų32.520%0.19616%0.16CC..SBendtrans-138.9159.4176.784.20000111.6F165 H169 T170 P340F165-T167 VanDerWaalsContact C-N 3.26Å; F165-T167 PolarHBondContact O-N 3.05Å; T167-H169 PolarHBondContact O-N 2.85Å; T167-H169 VanDerWaalsContact O-N 3.09Å; T167-H169 PolarHBondContact OG1-N 3.04Å; T167-T170 WeakPolarHBondContact CB-OG1 3.5Å; T167-T170 PolarHBondContact N-OG1 2.62Å; T167-T170 PolarHBondContact O-N 3.11Å; T167-T170 PolarHBondContact O-OG1 3.41Å; T167-T170 PolarHBondContact OG1-N 3.38Å; T167-T170 PolarHBondContact OG1-OG1 2.87Å; T167-P340 HydrophobicContact CG2-CB 3.57Å; T167-P340 HydrophobicContact CG2-CG 3.86Å
168P93.1Very high96.5Very high72 Ų7236 Ų3647%0.46817%0.173SC..THydrogen-bonded Turntrans-56.9-26.5177.4-26.133.3000114.9R171 F351P168-R171 VanDerWaalsContact O-CG 3.31Å; P168-R171 WeakPolarHBondContact O-CG 3.44Å; P168-F351 HydrophobicContact CB-CE2 4.37Å; P168-F351 HydrophobicContact CG-CD2 3.85Å; P168-F351 HydrophobicContact CG-CE2 3.58Å; P168-F351 HydrophobicContact CG-CZ 4.32Å
169H93.5Very high96.5Very high78 Ų7836 Ų3636%0.36117%0.173SC..THydrogen-bonded Turntrans-100.90.2-174.1-56.2-63.2000113.7T167 K295 T297T167-H169 PolarHBondContact O-N 2.85Å; T167-H169 VanDerWaalsContact O-N 3.09Å; T167-H169 PolarHBondContact OG1-N 3.04Å; H169-K295 HydrophobicContact CB-CB 4.07Å; H169-K295 HydrophobicContact CB-CG 4.2Å; H169-K295 VanDerWaalsContact CD2-CD 3.44Å; H169-K295 WeakPolarHBondContact CD2-CD 3.48Å; H169-K295 VanDerWaalsContact CD2-CE 3.48Å; H169-K295 WeakPolarHBondContact CD2-CE 3.31Å; H169-K295 VanDerWaalsContact CD2-CG 3.5Å; H169-K295 WeakPolarHBondContact CD2-CG 3.48Å; H169-K295 WeakPolarHBondContact NE2-CD 3.46Å; H169-K295 WeakPolarHBondContact NE2-CE 3.46Å; H169-K295 PolarHBondContact NE2-NZ 2.97Å; H169-T297 WeakPolarHBondContact O-CB 2.79Å; H169-T297 VanDerWaalsContact O-CG2 3.24Å; H169-T297 WeakPolarHBondContact O-CG2 3.39Å; H169-T297 PolarHBondContact O-OG1 3.47Å
170T95.6Very high96.5Very high1 Ų136 Ų361%0.00617%0.173CC..  trans-118.932-178.848.50000111.2F165 T167 Q172 F173 A292 T297 S318 F319F165-T170 HydrophobicContact CB-CG2 4.4Å; F165-T170 HydrophobicContact CD1-CG2 3.96Å; F165-T170 WeakPolarHBondContact O-CB 3.37Å; F165-T170 PolarHBondContact O-OG1 3.48Å; T167-T170 WeakPolarHBondContact CB-OG1 3.5Å; T167-T170 PolarHBondContact N-OG1 2.62Å; T167-T170 PolarHBondContact O-N 3.11Å; T167-T170 PolarHBondContact O-OG1 3.41Å; T167-T170 PolarHBondContact OG1-N 3.38Å; T167-T170 PolarHBondContact OG1-OG1 2.87Å; T170-Q172 VanDerWaalsContact C-N 3.34Å; T170-Q172 PolarHBondContact O-N 3.09Å; T170-F173 HydrophobicContact CG2-CE1 3.96Å; T170-F173 HydrophobicContact CG2-CZ 3.93Å; T170-A292 HydrophobicContact CG2-CB 3.74Å; T170-T297 HydrophobicContact CG2-CG2 4.04Å; T170-S318 WeakPolarHBondContact O-CB 3.23Å; T170-F319 PolarHBondContact O-N 3.04Å
171R95.5Very high96.5Very high135 Ų13541.6 Ų41.651%0.50920%0.198SC..SBendtrans-54.8-47179.3-68.4-86.7-78.8-91.6-2.9112.2P168 S318 D320P168-R171 VanDerWaalsContact O-CG 3.31Å; P168-R171 WeakPolarHBondContact O-CG 3.44Å; R171-S318 VanDerWaalsContact O-CB 3.32Å; R171-S318 WeakPolarHBondContact O-CB 3.39Å; R171-S318 PolarHBondContact O-OG 2.91Å; R171-D320 VanDerWaalsContact CD-OD1 3.31Å; R171-D320 WeakPolarHBondContact CD-OD1 3.27Å; R171-D320 IonicContact NE-OD1 3.24Å; R171-D320 PolarHBondContact NE-OD1 2.87Å; R171-D320 WeakPolarHBondContact O-CB 3.36Å; R171-D320 PolarHBondContact O-N 3.16Å
172Q96.5Very high96.5Very high133 Ų13342.5 Ų42.562%0.62121%0.205SC*.  trans-135144.4-176.6-63.7179.5-14.400110.2T170 D320T170-Q172 VanDerWaalsContact C-N 3.34Å; T170-Q172 PolarHBondContact O-N 3.09Å; Q172-D320 HydrophobicContact CG-CB 4.46Å; Q172-D320 WeakPolarHBondContact CG-OD2 3.41Å; Q172-D320 PolarHBondContact NE2-OD2 2.81Å
173F97.2Very high96.6Very high21 Ų2142.4 Ų42.49%0.09221%0.205CC..  trans-123.7151.2168.9-61.7-36.1000109.5F165 T170 V288 T297 L312 S318F165-F173 HydrophobicContact CB-CE2 3.88Å; F165-F173 HydrophobicContact CB-CZ 3.71Å; F165-F173 AromaticContact CD1-CZ 3.91Å; F165-F173 HydrophobicContact CD1-CZ 3.91Å; F165-F173 AromaticContact CD2-CE2 3.79Å; F165-F173 HydrophobicContact CD2-CE2 3.79Å; F165-F173 AromaticContact CD2-CZ 4Å; F165-F173 HydrophobicContact CD2-CZ 4Å; F165-F173 AromaticContact CG-CE2 3.81Å; F165-F173 HydrophobicContact CG-CE2 3.81Å; F165-F173 AromaticContact CG-CZ 3.59Å; F165-F173 HydrophobicContact CG-CZ 3.59Å; T170-F173 HydrophobicContact CG2-CE1 3.96Å; T170-F173 HydrophobicContact CG2-CZ 3.93Å; F173-V288 HydrophobicContact CD1-CG2 4.15Å; F173-V288 HydrophobicContact CD2-CG2 4.33Å; F173-V288 HydrophobicContact CE1-CG2 3.65Å; F173-V288 HydrophobicContact CE2-CG2 3.86Å; F173-V288 HydrophobicContact CG-CG2 4.47Å; F173-V288 HydrophobicContact CZ-CG2 3.48Å; F173-V288 VanDerWaalsContact CZ-CG2 3.48Å; F173-T297 HydrophobicContact CD1-CG2 4.43Å; F173-T297 HydrophobicContact CE1-CG2 3.91Å; F173-L312 HydrophobicContact CB-CD2 4.23Å; F173-L312 HydrophobicContact CD1-CD2 4.07Å; F173-L312 HydrophobicContact CG-CD2 4.29Å; F173-S318 VanDerWaalsContact CD2-CB 3.45Å; F173-S318 VanDerWaalsContact CE2-CA 3.49Å
174P97.5Very high96.7Very high14 Ų1442.6 Ų42.69%0.09121%0.207CC..  trans-55.4149.7163.626-35.7000110.6R135 E178 V300 L312R135-P174 PolarHBondContact NH1-O 2.93Å; R135-P174 PolarHBondContact NH2-O 2.83Å; P174-E178 WeakPolarHBondContact CA-OE2 3.36Å; P174-E178 HydrophobicContact CB-CB 3.91Å; P174-V300 HydrophobicContact CB-CG1 4.26Å; P174-V300 HydrophobicContact CB-CG2 3.84Å; P174-V300 HydrophobicContact CG-CB 4.5Å; P174-V300 HydrophobicContact CG-CG1 4.19Å; P174-V300 HydrophobicContact CG-CG2 4.08Å; P174-L312 HydrophobicContact CG-CB 4.1Å; P174-L312 HydrophobicContact CG-CD1 4.28Å; P174-L312 HydrophobicContact CG-CD2 3.78Å; P174-L312 HydrophobicContact CG-CG 4.24Å; P174-L312 WeakPolarHBondContact CG-O 3.42Å
175S96.7Very high96.8Very high40 Ų4047.3 Ų47.328%0.2823%0.226SC..  trans-58.1157.4165.8640000110.6W177 E178 A179S175-W177 PolarHBondContact O-N 2.7Å; S175-E178 WeakPolarHBondContact CB-OE2 3.49Å; S175-E178 PolarHBondContact N-OE2 3.49Å; S175-E178 PolarHBondContact O-N 3.46Å; S175-E178 VanDerWaalsContact OG-CG 3.27Å; S175-E178 WeakPolarHBondContact OG-CG 3.17Å; S175-E178 PolarHBondContact OG-N 2.81Å; S175-E178 PolarHBondContact OG-OE2 3.44Å; S175-A179 PolarHBondContact O-N 3.09Å
176R96.8Very high97Very high50 Ų5047.4 Ų47.419%0.18923%0.227CC..Hα-helixtrans-56.5-33.6172.5-62.3-174.1-169.593.64.6111.3G111 R135 V180 F211 Y313 N315G111-R176 PolarHBondContact O-NH2 3.04Å; R135-R176 VanDerWaalsContact CB-NH2 3.27Å; R135-R176 PolarHBondContact O-NH2 3.42Å; R176-V180 WeakPolarHBondContact O-CB 3.39Å; R176-V180 VanDerWaalsContact O-CG2 3.27Å; R176-V180 WeakPolarHBondContact O-CG2 3.13Å; R176-V180 PolarHBondContact O-N 3.32Å; R176-F211 HydrophobicContact CB-CD1 3.82Å; R176-F211 HydrophobicContact CB-CE1 3.58Å; R176-F211 HydrophobicContact CB-CZ 4.48Å; R176-Y313 HydrophobicContact CB-CE2 4.2Å; R176-Y313 HydrophobicContact CG-CE2 4.33Å; R176-N315 PolarHBondContact NE-OD1 2.79Å
177W97.4Very high97.1Very high42 Ų4247.5 Ų47.516%0.15923%0.227CC..Hα-helixtrans-66.9-45.4177.3-82.6120000113.7S175 A179 V180 K181 F211 Q215 A418S175-W177 PolarHBondContact O-N 2.7Å; W177-A179 VanDerWaalsContact C-N 3.3Å; W177-A179 PolarHBondContact O-N 2.89Å; W177-V180 HydrophobicContact CE3-CG1 4.42Å; W177-V180 PolarHBondContact O-N 3.17Å; W177-K181 WeakPolarHBondContact O-CB 3.44Å; W177-K181 PolarHBondContact O-N 3.32Å; W177-F211 AromaticContact CD2-CZ 3.81Å; W177-F211 HydrophobicContact CD2-CZ 3.81Å; W177-F211 AromaticContact CE2-CZ 3.69Å; W177-F211 HydrophobicContact CE3-CZ 4.15Å; W177-F211 HydrophobicContact CG-CZ 4.31Å; W177-F211 HydrophobicContact CH2-CZ 4.29Å; W177-F211 HydrophobicContact CZ2-CE2 4.21Å; W177-F211 AromaticContact CZ2-CZ 3.95Å; W177-F211 HydrophobicContact CZ2-CZ 3.95Å; W177-F211 HydrophobicContact CZ3-CZ 4.37Å; W177-Q215 VanDerWaalsContact CH2-CD 3.43Å; W177-Q215 HydrophobicContact CH2-CG 4.22Å; W177-Q215 VanDerWaalsContact CH2-OE1 3.29Å; W177-Q215 HydrophobicContact CZ3-CG 4.08Å; W177-A418 PolarHBondContact NE1-O 3.46Å
178E98.1Very high97.3Very high104 Ų10447.9 Ų47.949%0.48623%0.233SC..Hα-helixtrans-62.2-41.2176.5-74.1163.5120.100111.3P174 S175 K181 A182P174-E178 WeakPolarHBondContact CA-OE2 3.36Å; P174-E178 HydrophobicContact CB-CB 3.91Å; S175-E178 WeakPolarHBondContact CB-OE2 3.49Å; S175-E178 PolarHBondContact N-OE2 3.49Å; S175-E178 PolarHBondContact O-N 3.46Å; S175-E178 VanDerWaalsContact OG-CG 3.27Å; S175-E178 WeakPolarHBondContact OG-CG 3.17Å; S175-E178 PolarHBondContact OG-N 2.81Å; S175-E178 PolarHBondContact OG-OE2 3.44Å; E178-K181 PolarHBondContact O-N 3.32Å; E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.94Å
179A98.3Very high97.5Very high1 Ų148.2 Ų48.21%0.00823%0.231CC..Hα-helixtrans-62.5-44.8174.800000112S175 W177 A182 A183 V300 I311 L312 Y313S175-A179 PolarHBondContact O-N 3.09Å; W177-A179 VanDerWaalsContact C-N 3.3Å; W177-A179 PolarHBondContact O-N 2.89Å; A179-A182 PolarHBondContact O-N 2.77Å; A179-A183 WeakPolarHBondContact O-CB 3.47Å; A179-A183 PolarHBondContact O-N 2.8Å; A179-V300 HydrophobicContact CB-CG1 4.44Å; A179-I311 HydrophobicContact CB-CG2 4.1Å; A179-L312 WeakPolarHBondContact CB-O 3.36Å; A179-Y313 HydrophobicContact CB-CD2 3.82Å
180V98.4Very high97.8Very high0 Ų045.9 Ų45.90%022%0.219CC..Hα-helixtrans-61.3-48.4173.6161.80000111.2R176 W177 A182 A183 S184 F211 L212 Q215R176-V180 WeakPolarHBondContact O-CB 3.39Å; R176-V180 VanDerWaalsContact O-CG2 3.27Å; R176-V180 WeakPolarHBondContact O-CG2 3.13Å; R176-V180 PolarHBondContact O-N 3.32Å; W177-V180 HydrophobicContact CE3-CG1 4.42Å; W177-V180 PolarHBondContact O-N 3.17Å; V180-A182 VanDerWaalsContact C-N 3.3Å; V180-A182 PolarHBondContact O-N 2.88Å; V180-A183 PolarHBondContact O-N 2.95Å; V180-S184 WeakPolarHBondContact O-CB 3.41Å; V180-S184 PolarHBondContact O-N 3.36Å; V180-S184 PolarHBondContact O-OG 2.87Å; V180-F211 HydrophobicContact CG2-CD1 4.01Å; V180-F211 HydrophobicContact CG2-CE1 3.68Å; V180-L212 HydrophobicContact CG2-CD1 3.81Å; V180-Q215 HydrophobicContact CB-CB 4.45Å; V180-Q215 HydrophobicContact CG1-CB 3.46Å; V180-Q215 VanDerWaalsContact CG1-CB 3.46Å; V180-Q215 HydrophobicContact CG1-CG 4.19Å; V180-Q215 HydrophobicContact CG2-CB 4.1Å; V180-Q215 HydrophobicContact CG2-CG 4.43Å
181K98.5Very high97.9Very high119 Ų11946.4 Ų46.452%0.51722%0.222SC..Hα-helixtrans-57.8-44.7179.3-175.3170.7-177.4165.50110.5W177 E178 K185 E423W177-K181 WeakPolarHBondContact O-CB 3.44Å; W177-K181 PolarHBondContact O-N 3.32Å; E178-K181 PolarHBondContact O-N 3.32Å; K181-K185 WeakPolarHBondContact O-CB 3.34Å; K181-K185 PolarHBondContact O-N 2.77Å; K181-E423 IonicContact NZ-OE1 3.2Å; K181-E423 PolarHBondContact NZ-OE1 3.33Å
182A98.5Very high98Very high19 Ų1949 Ų4916%0.15724%0.237CC..Hα-helixtrans-62.8-49.1175.500000112.1E178 A179 V180 K185 I186 V300E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 2.94Å; A179-A182 PolarHBondContact O-N 2.77Å; V180-A182 VanDerWaalsContact C-N 3.3Å; V180-A182 PolarHBondContact O-N 2.88Å; A182-K185 PolarHBondContact O-N 3.47Å; A182-I186 WeakPolarHBondContact O-CD1 3.44Å; A182-I186 VanDerWaalsContact O-CG1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å; A182-I186 PolarHBondContact O-N 3.25Å; A182-I186 VanDerWaalsContact O-N 3.1Å; A182-V300 HydrophobicContact CB-CG1 3.77Å
183A98.7Very high98Very high3 Ų350 Ų503%0.02524%0.239CC..Hα-helixtrans-61.7-46.7179.200000112.1A179 V180 K185 I186 A187 L212 L216 L284 I311A179-A183 WeakPolarHBondContact O-CB 3.47Å; A179-A183 PolarHBondContact O-N 2.8Å; V180-A183 PolarHBondContact O-N 2.95Å; A183-K185 PolarHBondContact O-N 3.43Å; A183-I186 PolarHBondContact O-N 3.47Å; A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.03Å; A183-L212 HydrophobicContact CB-CD1 4.35Å; A183-L216 HydrophobicContact CB-CD2 4.37Å; A183-L284 HydrophobicContact CB-CD1 4.23Å; A183-I311 HydrophobicContact CB-CD1 4.4Å; A183-I311 HydrophobicContact CB-CG1 4.24Å; A183-I311 HydrophobicContact CB-CG2 4.47Å
184S98.6Very high97.9Very high4 Ų452.7 Ų52.73%0.02826%0.255CS..Hα-helixtrans-62.2-42.7178.4-55.60000111.9V180 A187 A188 L216 R219V180-S184 WeakPolarHBondContact O-CB 3.41Å; V180-S184 PolarHBondContact O-N 3.36Å; V180-S184 PolarHBondContact O-OG 2.87Å; S184-A187 PolarHBondContact O-N 2.97Å; S184-A188 VanDerWaalsContact O-CB 3.3Å; S184-A188 WeakPolarHBondContact O-CB 3.48Å; S184-A188 PolarHBondContact O-N 2.93Å; S184-L216 WeakPolarHBondContact OG-CD2 3.27Å; S184-R219 WeakPolarHBondContact OG-CD 3.44Å; S184-R219 PolarHBondContact OG-NE 3.37Å; S184-R219 VanDerWaalsContact OG-NE 3.15Å
185K98.6Very high97.8Very high118 Ų11856 Ų5651%0.51328%0.278SS..Hα-helixtrans-61.2-48.7178.1174.1163.3175.546.40111.1K181 A182 A183 A187 A188 D189K181-K185 WeakPolarHBondContact O-CB 3.34Å; K181-K185 PolarHBondContact O-N 2.77Å; A182-K185 PolarHBondContact O-N 3.47Å; A183-K185 PolarHBondContact O-N 3.43Å; K185-A187 VanDerWaalsContact C-N 3.33Å; K185-A187 PolarHBondContact O-N 2.97Å; K185-A188 PolarHBondContact O-N 3.25Å; K185-D189 WeakPolarHBondContact CG-OD2 3.39Å; K185-D189 IonicContact NZ-OD1 2.78Å; K185-D189 PolarHBondContact NZ-OD1 3.14Å; K185-D189 IonicContact NZ-OD2 4Å; K185-D189 PolarHBondContact NZ-OD2 3.21Å; K185-D189 WeakPolarHBondContact O-CB 3.4Å; K185-D189 PolarHBondContact O-N 3.31Å
186I98.5Very high97.6Very high10 Ų1059.5 Ų59.55%0.05129%0.29CS..Hα-helixtrans-61.3-44.3179.2-67.3166.4000110.9A182 A183 W190 L282 L284 K301 F303 I311A182-I186 WeakPolarHBondContact O-CD1 3.44Å; A182-I186 VanDerWaalsContact O-CG1 3.23Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å; A182-I186 PolarHBondContact O-N 3.25Å; A182-I186 VanDerWaalsContact O-N 3.1Å; A183-I186 PolarHBondContact O-N 3.47Å; I186-W190 WeakPolarHBondContact O-CB 3.48Å; I186-W190 PolarHBondContact O-N 2.92Å; I186-L282 HydrophobicContact CG2-CD2 3.48Å; I186-L282 VanDerWaalsContact CG2-CD2 3.48Å; I186-L284 HydrophobicContact CG2-CD2 3.81Å; I186-K301 HydrophobicContact CD1-CB 4.17Å; I186-K301 HydrophobicContact CD1-CD 3.44Å; I186-K301 VanDerWaalsContact CD1-CD 3.44Å; I186-K301 HydrophobicContact CD1-CG 4.43Å; I186-K301 HydrophobicContact CG1-CD 4.17Å; I186-F303 HydrophobicContact CD1-CE2 4.38Å; I186-F303 HydrophobicContact CD1-CZ 4.26Å; I186-F303 HydrophobicContact CG1-CZ 4.37Å; I186-F303 HydrophobicContact CG2-CZ 3.99Å; I186-I311 HydrophobicContact CD1-CD1 3.75Å
187A98.6Very high97.5Very high1 Ų157.6 Ų57.61%0.00828%0.284CS..Hα-helixtrans-61.3-49.7177.500000111.9A183 S184 K185 D189 W190 L191 I199 L220 L284A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.38Å; A183-A187 PolarHBondContact O-N 3.03Å; S184-A187 PolarHBondContact O-N 2.97Å; K185-A187 VanDerWaalsContact C-N 3.33Å; K185-A187 PolarHBondContact O-N 2.97Å; A187-D189 PolarHBondContact O-N 2.81Å; A187-W190 PolarHBondContact O-N 3.39Å; A187-L191 WeakPolarHBondContact O-CB 3.21Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.44Å; A187-I199 HydrophobicContact CB-CD1 3.97Å; A187-I199 HydrophobicContact CB-CG1 3.86Å; A187-I199 HydrophobicContact CB-CG2 4.45Å; A187-L220 HydrophobicContact CB-CD1 3.7Å; A187-L284 HydrophobicContact CB-CD1 4.41Å
188A98.6Very high97.5Very high40 Ų4057.3 Ų57.333%0.33128%0.283SS..Hα-helixtrans-60.1-46.3178.100000112S184 K185 W190 L191 K192 L220S184-A188 VanDerWaalsContact O-CB 3.3Å; S184-A188 WeakPolarHBondContact O-CB 3.48Å; S184-A188 PolarHBondContact O-N 2.93Å; K185-A188 PolarHBondContact O-N 3.25Å; A188-W190 VanDerWaalsContact C-N 3.26Å; A188-W190 PolarHBondContact O-N 2.61Å; A188-L191 PolarHBondContact O-N 3.29Å; A188-K192 WeakPolarHBondContact O-CB 3.22Å; A188-K192 PolarHBondContact O-N 3.09Å; A188-L220 HydrophobicContact CB-CD2 3.8Å
189D98.4Very high97.4Very high79 Ų7952.5 Ų52.542%0.42226%0.26SS..Hα-helixtrans-61.5-35.2179.4-69.4-18.9000111.3K185 A187 K193K185-D189 WeakPolarHBondContact CG-OD2 3.39Å; K185-D189 IonicContact NZ-OD1 2.78Å; K185-D189 PolarHBondContact NZ-OD1 3.14Å; K185-D189 IonicContact NZ-OD2 4Å; K185-D189 PolarHBondContact NZ-OD2 3.21Å; K185-D189 WeakPolarHBondContact O-CB 3.4Å; K185-D189 PolarHBondContact O-N 3.31Å; A187-D189 PolarHBondContact O-N 2.81Å; D189-K193 WeakPolarHBondContact O-CG 3.5Å
190W98Very high97.3Very high29 Ų2953.1 Ų53.111%0.1126%0.263CS..Hα-helixtrans-73.1-47.8176.1-177.3-100.6000113I186 A187 A188 K192 K193 N197 R198 I199 N279 T280 L282 T307I186-W190 WeakPolarHBondContact O-CB 3.48Å; I186-W190 PolarHBondContact O-N 2.92Å; A187-W190 PolarHBondContact O-N 3.39Å; A188-W190 VanDerWaalsContact C-N 3.26Å; A188-W190 PolarHBondContact O-N 2.61Å; W190-K192 PolarHBondContact O-N 3.26Å; W190-K193 HydrophobicContact CE3-CD 4.36Å; W190-K193 WeakPolarHBondContact O-CB 3.38Å; W190-K193 PolarHBondContact O-N 3.13Å; W190-K193 VanDerWaalsContact O-N 3.16Å; W190-N197 PolarHBondContact O-ND2 2.9Å; W190-R198 PolarHBondContact NE1-O 3.48Å; W190-I199 HydrophobicContact CB-CD1 3.97Å; W190-I199 HydrophobicContact CG-CD1 4.05Å; W190-N279 WeakPolarHBondContact CZ2-O 3.29Å; W190-T280 PolarHBondContact NE1-O 3.26Å; W190-L282 HydrophobicContact CB-CB 4.32Å; W190-L282 HydrophobicContact CB-CD2 3.59Å; W190-L282 HydrophobicContact CD2-CB 3.58Å; W190-L282 HydrophobicContact CD2-CD2 4.04Å; W190-L282 HydrophobicContact CD2-CG 4.4Å; W190-L282 HydrophobicContact CE3-CB 4.22Å; W190-L282 HydrophobicContact CE3-CD2 4.25Å; W190-L282 HydrophobicContact CG-CB 3.57Å; W190-L282 HydrophobicContact CG-CD2 3.74Å; W190-L282 HydrophobicContact CG-CG 4.32Å; W190-L282 HydrophobicContact CZ2-CB 4.34Å; W190-T307 HydrophobicContact CH2-CG2 3.85Å; W190-T307 HydrophobicContact CZ2-CG2 4.4Å
191L97.7Very high97.2Very high13 Ų1353.3 Ų53.37%0.06826%0.264CS..Hα-helixtrans-63.7-27.1-179.5-69.4173.6000113.1A187 A188 K193 N197 I199 R252 L253A187-L191 WeakPolarHBondContact O-CB 3.21Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.4Å; A187-L191 PolarHBondContact O-N 3.44Å; A188-L191 PolarHBondContact O-N 3.29Å; L191-K193 VanDerWaalsContact C-N 3.32Å; L191-N197 WeakPolarHBondContact CD2-O 3.47Å; L191-I199 HydrophobicContact CD1-CG1 4.08Å; L191-I199 HydrophobicContact CD2-CD1 4.49Å; L191-I199 HydrophobicContact CD2-CG1 4.01Å; L191-I199 HydrophobicContact CG-CD1 4.27Å; L191-I199 HydrophobicContact CG-CG1 3.92Å; L191-R252 HydrophobicContact CD2-CB 3.85Å; L191-L253 HydrophobicContact CD1-CD2 3.88Å
192K98Very high96.9Very high190 Ų19050.2 Ų50.283%0.82625%0.251SS*.THydrogen-bonded Turntrans-70.7-25.2176.8-174176178.2-178.80113.2A188 W190A188-K192 WeakPolarHBondContact O-CB 3.22Å; A188-K192 PolarHBondContact O-N 3.09Å; W190-K192 PolarHBondContact O-N 3.26Å
193K97.3Very high96.7Very high153 Ų15349.3 Ų49.367%0.66524%0.243SC*.THydrogen-bonded Turntrans-70.3-33.6-173.5-68.8175.1-177.9-175.60113.4D189 W190 L191D189-K193 WeakPolarHBondContact O-CG 3.5Å; W190-K193 HydrophobicContact CE3-CD 4.36Å; W190-K193 WeakPolarHBondContact O-CB 3.38Å; W190-K193 PolarHBondContact O-N 3.13Å; W190-K193 VanDerWaalsContact O-N 3.16Å; L191-K193 VanDerWaalsContact C-N 3.32Å
194N95.3Very high96.1Very high78 Ų7851 Ų5142%0.41725%0.254SS..  trans-157.6142.6-177.2-168.2-57.3000109.7E196 N197N194-E196 PolarHBondContact O-N 3.39Å; N194-E196 WeakPolarHBondContact OD1-CB 3.44Å; N194-E196 PolarHBondContact OD1-N 3.28Å; N194-N197 HydrophobicContact CB-CB 4.44Å; N194-N197 WeakPolarHBondContact O-CB 3.5Å; N194-N197 PolarHBondContact O-N 3.23Å; N194-N197 VanDerWaalsContact O-N 3.14Å
195S93.8Very high95.5Very high83 Ų8354.2 Ų54.258%0.5827%0.266SS*.THydrogen-bonded Turntrans-60-32.3177530000113N197 R252S195-N197 VanDerWaalsContact C-N 3.27Å; S195-N197 PolarHBondContact O-N 2.68Å; S195-R252 WeakPolarHBondContact O-CD 3.49Å; S195-R252 PolarHBondContact O-NH1 3.26Å
196E92.7Very high95Very high113 Ų11349.7 Ų49.753%0.52825%0.247SC..THydrogen-bonded Turntrans-77.9-9.5179.7-58.4-49.311800113.6N194 T280N194-E196 PolarHBondContact O-N 3.39Å; N194-E196 WeakPolarHBondContact OD1-CB 3.44Å; N194-E196 PolarHBondContact OD1-N 3.28Å; E196-T280 HydrophobicContact CB-CG2 4.42Å
197N96Very high94.7Very high10 Ų1049.4 Ų49.45%0.05325%0.245CC..  trans-69.8140.3-179.4-80.8-0.2000111.4W190 L191 N194 S195 T280W190-N197 PolarHBondContact O-ND2 2.9Å; L191-N197 WeakPolarHBondContact CD2-O 3.47Å; N194-N197 HydrophobicContact CB-CB 4.44Å; N194-N197 WeakPolarHBondContact O-CB 3.5Å; N194-N197 PolarHBondContact O-N 3.23Å; N194-N197 VanDerWaalsContact O-N 3.14Å; S195-N197 VanDerWaalsContact C-N 3.27Å; S195-N197 PolarHBondContact O-N 2.68Å; N197-T280 CarbonylContact C-O 3.44Å; N197-T280 VanDerWaalsContact CA-O 3.24Å; N197-T280 WeakPolarHBondContact CA-O 3.43Å; N197-T280 PolarHBondContact OD1-O 2.65Å
198R95.9Very high94.5Very high37 Ų3749.5 Ų49.514%0.1425%0.246CC..EExtended strand (participates in β ladder)trans-132.8156-178.6-67.3174.1-178.8-86.50.4111.5W190 T251 R252 H254 A274 T280 V281 L282W190-R198 PolarHBondContact NE1-O 3.48Å; R198-T251 PolarHBondContact NH1-O 3.13Å; R198-R252 WeakPolarHBondContact CA-O 3.4Å; R198-R252 HydrophobicContact CG-CB 4.15Å; R198-R252 HydrophobicContact CG-CG 4.46Å; R198-H254 PolarHBondContact NH1-NE2 3.19Å; R198-A274 WeakPolarHBondContact CD-O 3.32Å; R198-T280 PolarHBondContact N-O 3.18Å; R198-V281 HydrophobicContact CB-CG2 4.37Å; R198-V281 WeakPolarHBondContact O-CA 3.18Å; R198-L282 PolarHBondContact O-N 3.4Å
199I97.2Very high94.4Very high2 Ų248 Ų481%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-109.1131.6173.7-54.6-59.1000109A187 W190 L191 L201 R252 L253 H254 L282 L284A187-I199 HydrophobicContact CB-CD1 3.97Å; A187-I199 HydrophobicContact CB-CG1 3.86Å; A187-I199 HydrophobicContact CB-CG2 4.45Å; W190-I199 HydrophobicContact CB-CD1 3.97Å; W190-I199 HydrophobicContact CG-CD1 4.05Å; L191-I199 HydrophobicContact CD1-CG1 4.08Å; L191-I199 HydrophobicContact CD2-CD1 4.49Å; L191-I199 HydrophobicContact CD2-CG1 4.01Å; L191-I199 HydrophobicContact CG-CD1 4.27Å; L191-I199 HydrophobicContact CG-CG1 3.92Å; I199-L201 HydrophobicContact CG2-CD2 4.2Å; I199-R252 PolarHBondContact N-O 3.08Å; I199-L253 HydrophobicContact CB-CD2 3.72Å; I199-L253 HydrophobicContact CG1-CD2 3.73Å; I199-L253 HydrophobicContact CG2-CD2 4.47Å; I199-H254 PolarHBondContact O-N 3.23Å; I199-L282 WeakPolarHBondContact CA-O 3.48Å; I199-L282 HydrophobicContact CD1-CB 4Å; I199-L282 HydrophobicContact CD1-CD2 4.18Å; I199-L282 HydrophobicContact CD1-CG 4.4Å; I199-L284 HydrophobicContact CG2-CD1 3.97Å; I199-L284 HydrophobicContact CG2-CG 4.11Å
200L95.6Very high94.3Very high14 Ų1444.6 Ų44.67%0.07321%0.213CC..EExtended strand (participates in β ladder)trans-114.9111.1171.2178.361000110K202 H254 F256 V281 L282 T283 L284L200-K202 PolarHBondContact O-N 2.96Å; L200-H254 CarbonylContact C-O 3.55Å; L200-H254 WeakPolarHBondContact CA-O 3.42Å; L200-H254 HydrophobicContact CD1-CB 4.19Å; L200-F256 HydrophobicContact CD1-CB 4.33Å; L200-F256 HydrophobicContact CD1-CD1 3.74Å; L200-F256 HydrophobicContact CD1-CD2 3.71Å; L200-F256 HydrophobicContact CD1-CE1 3.9Å; L200-F256 HydrophobicContact CD1-CE2 3.88Å; L200-F256 HydrophobicContact CD1-CG 3.65Å; L200-F256 HydrophobicContact CD1-CZ 3.99Å; L200-F256 HydrophobicContact CD2-CD2 4.22Å; L200-F256 HydrophobicContact CD2-CE2 4.22Å; L200-V281 HydrophobicContact CB-CG1 3.74Å; L200-L282 PolarHBondContact N-O 3.45Å; L200-T283 CarbonylContact O-C 3.57Å; L200-T283 VanDerWaalsContact O-CA 3.25Å; L200-T283 WeakPolarHBondContact O-CA 3.38Å; L200-L284 PolarHBondContact O-N 2.82Å
201L96.1Very high94.3Very high4 Ų444.2 Ų44.22%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-79109.4166.5-53.9-179000107.9I199 F213 L216 I224 H254 A255 F256 L284I199-L201 HydrophobicContact CG2-CD2 4.2Å; L201-F213 HydrophobicContact CD1-CD1 3.7Å; L201-F213 HydrophobicContact CD1-CE1 3.6Å; L201-L216 HydrophobicContact CD1-CD1 3.66Å; L201-L216 HydrophobicContact CD2-CD1 3.88Å; L201-L216 HydrophobicContact CG-CD1 4.39Å; L201-I224 HydrophobicContact CD1-CD1 4.26Å; L201-H254 PolarHBondContact N-O 3.09Å; L201-A255 HydrophobicContact CB-CB 3.91Å; L201-A255 HydrophobicContact CD1-CB 4.22Å; L201-A255 HydrophobicContact CG-CB 4.45Å; L201-A255 CarbonylContact O-C 3.54Å; L201-A255 WeakPolarHBondContact O-CA 3.48Å; L201-F256 PolarHBondContact O-N 3.12Å; L201-L284 WeakPolarHBondContact CA-O 3.46Å; L201-L284 HydrophobicContact CD2-CB 3.81Å; L201-L284 HydrophobicContact CD2-CD1 3.92Å; L201-L284 HydrophobicContact CD2-CG 4.3Å
202K93.1Very high94.3Very high54 Ų5443.8 Ų43.824%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-98.1100.2173.1-174.3170.9-176.21710109.3L200 D264 T283 L284 R285L200-K202 PolarHBondContact O-N 2.96Å; K202-D264 WeakPolarHBondContact CE-OD1 3.33Å; K202-D264 IonicContact NZ-OD1 3.84Å; K202-D264 PolarHBondContact NZ-OD1 2.91Å; K202-D264 IonicContact NZ-OD2 3.23Å; K202-D264 PolarHBondContact NZ-OD2 2.72Å; K202-T283 HydrophobicContact CB-CG2 3.83Å; K202-L284 PolarHBondContact N-O 2.96Å; K202-R285 HydrophobicContact CB-CG 4.16Å
203C93.1Very high94.3Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-96.5117.3-173.2-68.80000110.3Y205 Y209 F256 V257 S258C203-Y205 PolarHBondContact O-N 2.68Å; C203-Y209 HydrophobicContact CB-CD1 4.34Å; C203-Y209 HydrophobicContact CB-CD2 3.74Å; C203-Y209 HydrophobicContact CB-CE1 4.08Å; C203-Y209 HydrophobicContact CB-CE2 3.48Å; C203-Y209 VanDerWaalsContact CB-CE2 3.48Å; C203-Y209 HydrophobicContact CB-CG 4.17Å; C203-F256 WeakPolarHBondContact CB-O 3.24Å; C203-F256 PolarHBondContact N-O 3.09Å; C203-V257 HydrophobicContact CB-CB 4.43Å; C203-V257 HydrophobicContact CB-CG1 3.9Å; C203-S258 PolarHBondContact O-N 3.03Å; C203-S258 PolarHBondContact O-OG 2.6Å; C203-S258 VanDerWaalsContact O-OG 3.13Å
204P87.1Confident94.3Very high40 Ų4027.8 Ų27.826%0.2614%0.141SC..SBendtrans-68.9-10.5-177.925.4-36.1000115.2Y209 S258P204-Y209 WeakPolarHBondContact CD-OH 3.14Å; P204-Y209 WeakPolarHBondContact CG-OH 3.25Å; P204-S258 WeakPolarHBondContact O-CB 3.03Å
205Y86.9Confident94.5Very high70 Ų7025.1 Ų25.128%0.27513%0.126SC..SBendtrans-129.3166.3-179.8-45.9-60000110.8C203 Y209 V257 S258C203-Y205 PolarHBondContact O-N 2.68Å; Y205-Y209 VanDerWaalsContact CD2-OH 3.23Å; Y205-Y209 WeakPolarHBondContact CD2-OH 3.5Å; Y205-Y209 PolarHBondContact N-OH 3.3Å; Y205-Y209 VanDerWaalsContact O-CE2 3.25Å; Y205-Y209 WeakPolarHBondContact O-CE2 3.31Å; Y205-V257 WeakPolarHBondContact O-CB 3.47Å; Y205-S258 CarbonylContact C-O 3.57Å
206Q86.9Confident94.7Very high24 Ų2421.3 Ų21.311%0.11210%0.1CC..SBendtrans-78.4-39-177.7-169172.8-24.300112.9S258 L259Q206-S258 PolarHBondContact N-O 3.06Å; Q206-L259 HydrophobicContact CG-CD2 4.39Å
207Y92.4Very high95Very high4 Ų416.5 Ų16.52%0.0168%0.078CC..SBendtrans-126.6164.9-175.3-57.1-74.7000111.6F34 L67 L230 A233 Y234F34-Y207 AromaticContact CD1-CD2 3.96Å; F34-Y207 HydrophobicContact CD1-CD2 3.96Å; F34-Y207 AromaticContact CD1-CE2 3.21Å; F34-Y207 HydrophobicContact CD1-CE2 3.21Å; F34-Y207 AromaticContact CD1-CZ 3.76Å; F34-Y207 AromaticContact CE1-CE2 3.56Å; F34-Y207 HydrophobicContact CE1-CE2 3.56Å; F34-Y207 AromaticContact CE1-CZ 3.97Å; F34-Y207 HydrophobicContact CG-CE2 4.28Å; F34-Y207 WeakPolarHBondContact O-CD2 3.2Å; L67-Y207 HydrophobicContact CD1-CD1 4.42Å; L67-Y207 HydrophobicContact CD1-CE1 4.34Å; L67-Y207 HydrophobicContact CD2-CD1 4.49Å; L67-Y207 HydrophobicContact CD2-CE1 3.77Å; Y207-L230 HydrophobicContact CE1-CD1 4.23Å; Y207-A233 HydrophobicContact CE1-CB 4.43Å; Y207-Y234 HydrophobicContact CD1-CE1 4.3Å; Y207-Y234 WeakPolarHBondContact CD1-OH 3.5Å; Y207-Y234 HydrophobicContact CE1-CE1 4.48Å
208G94Very high95.1Very high2 Ų221.9 Ų21.92%0.02110%0.101CC..SBendtrans104.3-2.4-177.900000114.4E210 N315G208-E210 WeakPolarHBondContact CA-OE2 3.23Å; G208-E210 PolarHBondContact N-OE1 3.29Å; G208-E210 PolarHBondContact N-OE2 2.57Å; G208-N315 PolarHBondContact O-ND2 3.44Å
209Y96.2Very high95.2Very high10 Ų1026 Ų264%0.03912%0.117CC..  trans-100.26.2-179.3-54.3-77.8000113C203 P204 Y205 F211 L212 F213 P286 Y313C203-Y209 HydrophobicContact CB-CD1 4.34Å; C203-Y209 HydrophobicContact CB-CD2 3.74Å; C203-Y209 HydrophobicContact CB-CE1 4.08Å; C203-Y209 HydrophobicContact CB-CE2 3.48Å; C203-Y209 VanDerWaalsContact CB-CE2 3.48Å; C203-Y209 HydrophobicContact CB-CG 4.17Å; P204-Y209 WeakPolarHBondContact CD-OH 3.14Å; P204-Y209 WeakPolarHBondContact CG-OH 3.25Å; Y205-Y209 VanDerWaalsContact CD2-OH 3.23Å; Y205-Y209 WeakPolarHBondContact CD2-OH 3.5Å; Y205-Y209 PolarHBondContact N-OH 3.3Å; Y205-Y209 VanDerWaalsContact O-CE2 3.25Å; Y205-Y209 WeakPolarHBondContact O-CE2 3.31Å; Y209-F211 PolarHBondContact O-N 2.96Å; Y209-L212 HydrophobicContact CD1-CD2 4.29Å; Y209-L212 CarbonylContact O-C 3.52Å; Y209-L212 WeakPolarHBondContact O-CB 3.25Å; Y209-L212 PolarHBondContact O-N 2.91Å; Y209-L212 VanDerWaalsContact O-N 3.08Å; Y209-F213 HydrophobicContact CG-CE1 4.41Å; Y209-F213 HydrophobicContact CG-CZ 4.28Å; Y209-F213 WeakPolarHBondContact O-CB 3.17Å; Y209-F213 WeakPolarHBondContact O-CD1 3.32Å; Y209-F213 WeakPolarHBondContact O-CG 3.08Å; Y209-F213 PolarHBondContact O-N 3.38Å; Y209-P286 HydrophobicContact CD1-CB 4.37Å; Y209-P286 HydrophobicContact CD1-CG 3.9Å; Y209-P286 HydrophobicContact CE1-CB 4.08Å; Y209-P286 HydrophobicContact CE1-CG 3.66Å; Y209-Y313 HydrophobicContact CD1-CE1 4.44Å
210E96.7Very high95.2Very high6 Ų627.3 Ų27.33%0.02812%0.124CC..Hα-helixtrans-58.3-50.3-172.2-5477.9-168.800110.4I114 G208 L212 F213 C214 Y234 I240I114-E210 HydrophobicContact CB-CG 4.24Å; I114-E210 HydrophobicContact CG2-CG 4.03Å; I114-E210 WeakPolarHBondContact CG2-OE1 3.11Å; G208-E210 WeakPolarHBondContact CA-OE2 3.23Å; G208-E210 PolarHBondContact N-OE1 3.29Å; G208-E210 PolarHBondContact N-OE2 2.57Å; E210-L212 VanDerWaalsContact C-N 3.35Å; E210-L212 PolarHBondContact O-N 2.98Å; E210-F213 PolarHBondContact O-N 3.39Å; E210-C214 PolarHBondContact O-N 3.3Å; E210-C214 PolarHBondContact O-SG 2.89Å; E210-Y234 HydrophobicContact CG-CE1 3.76Å; E210-Y234 WeakPolarHBondContact CG-OH 3.42Å; E210-Y234 PolarHBondContact OE1-OH 3.36Å; E210-I240 HydrophobicContact CB-CD1 3.76Å; E210-I240 HydrophobicContact CB-CG1 4.28Å; E210-I240 HydrophobicContact CG-CD1 3.75Å
211F97.2Very high95.3Very high21 Ų2135.8 Ų35.89%0.09216%0.16CC..Hα-helixtrans-59.9-44.5176178.3-99.3000112R176 W177 V180 Y209 F213 Q215 Y313 I415R176-F211 HydrophobicContact CB-CD1 3.82Å; R176-F211 HydrophobicContact CB-CE1 3.58Å; R176-F211 HydrophobicContact CB-CZ 4.48Å; W177-F211 AromaticContact CD2-CZ 3.81Å; W177-F211 HydrophobicContact CD2-CZ 3.81Å; W177-F211 AromaticContact CE2-CZ 3.69Å; W177-F211 HydrophobicContact CE3-CZ 4.15Å; W177-F211 HydrophobicContact CG-CZ 4.31Å; W177-F211 HydrophobicContact CH2-CZ 4.29Å; W177-F211 HydrophobicContact CZ2-CE2 4.21Å; W177-F211 AromaticContact CZ2-CZ 3.95Å; W177-F211 HydrophobicContact CZ2-CZ 3.95Å; W177-F211 HydrophobicContact CZ3-CZ 4.37Å; V180-F211 HydrophobicContact CG2-CD1 4.01Å; V180-F211 HydrophobicContact CG2-CE1 3.68Å; Y209-F211 PolarHBondContact O-N 2.96Å; F211-F213 VanDerWaalsContact C-N 3.34Å; F211-F213 PolarHBondContact O-N 2.87Å; F211-Q215 HydrophobicContact CD1-CG 4.37Å; F211-Q215 HydrophobicContact CD2-CG 4.15Å; F211-Q215 HydrophobicContact CE1-CG 4.03Å; F211-Q215 HydrophobicContact CE2-CG 3.79Å; F211-Q215 HydrophobicContact CG-CG 4.44Å; F211-Q215 HydrophobicContact CZ-CG 3.73Å; F211-Q215 WeakPolarHBondContact O-CB 3.29Å; F211-Q215 VanDerWaalsContact O-CG 3.23Å; F211-Q215 WeakPolarHBondContact O-CG 3.46Å; F211-Q215 PolarHBondContact O-N 3.18Å; F211-Y313 HydrophobicContact CD1-CE2 4.45Å; F211-I415 HydrophobicContact CD2-CG2 3.95Å; F211-I415 HydrophobicContact CE2-CG2 3.98Å
212L98.1Very high95.4Very high4 Ų437.9 Ų37.92%0.02117%0.17CC..Hα-helixtrans-61.5-42.7177.5176.761.7000111.5V180 A183 Y209 E210 L216 P286 Y313V180-L212 HydrophobicContact CG2-CD1 3.81Å; A183-L212 HydrophobicContact CB-CD1 4.35Å; Y209-L212 HydrophobicContact CD1-CD2 4.29Å; Y209-L212 CarbonylContact O-C 3.52Å; Y209-L212 WeakPolarHBondContact O-CB 3.25Å; Y209-L212 PolarHBondContact O-N 2.91Å; Y209-L212 VanDerWaalsContact O-N 3.08Å; E210-L212 VanDerWaalsContact C-N 3.35Å; E210-L212 PolarHBondContact O-N 2.98Å; L212-L216 HydrophobicContact CD1-CD1 3.67Å; L212-L216 HydrophobicContact CD1-CG 4.03Å; L212-L216 HydrophobicContact CG-CD1 3.88Å; L212-L216 WeakPolarHBondContact O-CB 3.23Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.16Å; L212-P286 HydrophobicContact CD2-CB 3.79Å; L212-P286 HydrophobicContact CD2-CG 3.83Å; L212-Y313 HydrophobicContact CB-CE2 4.03Å
213F98.1Very high95.6Very high1 Ų139.2 Ų39.20%0.00418%0.175CC..Hα-helixtrans-65.1-51.6179.6-67.7-12.1000111.5L201 Y209 E210 F211 Q215 L216 S217 I224 L230 L244 A255 V257L201-F213 HydrophobicContact CD1-CD1 3.7Å; L201-F213 HydrophobicContact CD1-CE1 3.6Å; Y209-F213 HydrophobicContact CG-CE1 4.41Å; Y209-F213 HydrophobicContact CG-CZ 4.28Å; Y209-F213 WeakPolarHBondContact O-CB 3.17Å; Y209-F213 WeakPolarHBondContact O-CD1 3.32Å; Y209-F213 WeakPolarHBondContact O-CG 3.08Å; Y209-F213 PolarHBondContact O-N 3.38Å; E210-F213 PolarHBondContact O-N 3.39Å; F211-F213 VanDerWaalsContact C-N 3.34Å; F211-F213 PolarHBondContact O-N 2.87Å; F213-Q215 VanDerWaalsContact C-N 3.31Å; F213-Q215 PolarHBondContact O-N 2.9Å; F213-L216 PolarHBondContact O-N 2.92Å; F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.48Å; F213-S217 PolarHBondContact O-N 3.03Å; F213-I224 HydrophobicContact CB-CD1 3.88Å; F213-I224 HydrophobicContact CD1-CD1 4.06Å; F213-I224 HydrophobicContact CG-CD1 4.21Å; F213-I224 VanDerWaalsContact O-CD1 3.3Å; F213-I224 WeakPolarHBondContact O-CD1 3.24Å; F213-L230 HydrophobicContact CE2-CD2 4.23Å; F213-L244 HydrophobicContact CB-CD2 4.24Å; F213-L244 HydrophobicContact CD2-CD2 4.03Å; F213-L244 HydrophobicContact CG-CD2 4.38Å; F213-A255 HydrophobicContact CE1-CB 3.75Å; F213-A255 HydrophobicContact CZ-CB 3.7Å; F213-V257 HydrophobicContact CZ-CG1 4.24Å
214C98.3Very high95.8Very high6 Ų639.2 Ų39.24%0.04118%0.175CC..Hα-helixtrans-58.2-44.7178.6-660000111.4E210 S217 K218 D239E210-C214 PolarHBondContact O-N 3.3Å; E210-C214 PolarHBondContact O-SG 2.89Å; C214-S217 PolarHBondContact O-N 3.33Å; C214-K218 WeakPolarHBondContact O-CB 3.2Å; C214-K218 VanDerWaalsContact O-CG 3.26Å; C214-K218 WeakPolarHBondContact O-CG 3.49Å; C214-K218 PolarHBondContact O-N 3.32Å; C214-D239 PolarHBondContact SG-O 2.99Å; C214-D239 VanDerWaalsContact SG-O 3.37Å
215Q98.4Very high96.2Very high22 Ų2237.6 Ų37.610%0.10316%0.164CC..Hα-helixtrans-71.7-39.1-178.5-64.3-56.7-29.500113W177 V180 F211 F213 R219W177-Q215 VanDerWaalsContact CH2-CD 3.43Å; W177-Q215 HydrophobicContact CH2-CG 4.22Å; W177-Q215 VanDerWaalsContact CH2-OE1 3.29Å; W177-Q215 HydrophobicContact CZ3-CG 4.08Å; V180-Q215 HydrophobicContact CB-CB 4.45Å; V180-Q215 HydrophobicContact CG1-CB 3.46Å; V180-Q215 VanDerWaalsContact CG1-CB 3.46Å; V180-Q215 HydrophobicContact CG1-CG 4.19Å; V180-Q215 HydrophobicContact CG2-CB 4.1Å; V180-Q215 HydrophobicContact CG2-CG 4.43Å; F211-Q215 HydrophobicContact CD1-CG 4.37Å; F211-Q215 HydrophobicContact CD2-CG 4.15Å; F211-Q215 HydrophobicContact CE1-CG 4.03Å; F211-Q215 HydrophobicContact CE2-CG 3.79Å; F211-Q215 HydrophobicContact CG-CG 4.44Å; F211-Q215 HydrophobicContact CZ-CG 3.73Å; F211-Q215 WeakPolarHBondContact O-CB 3.29Å; F211-Q215 VanDerWaalsContact O-CG 3.23Å; F211-Q215 WeakPolarHBondContact O-CG 3.46Å; F211-Q215 PolarHBondContact O-N 3.18Å; F213-Q215 VanDerWaalsContact C-N 3.31Å; F213-Q215 PolarHBondContact O-N 2.9Å; Q215-R219 VanDerWaalsContact O-CB 3.24Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 WeakPolarHBondContact O-CD 2.92Å; Q215-R219 WeakPolarHBondContact O-CG 3.42Å; Q215-R219 PolarHBondContact O-N 2.99Å
216L98.4Very high96.5Very high4 Ų434.2 Ų34.22%0.02115%0.151CC..Hα-helixtrans-63.6-44.4173.8-81.1170.5000111.4A183 S184 L201 L212 F213 R219 L220 I224A183-L216 HydrophobicContact CB-CD2 4.37Å; S184-L216 WeakPolarHBondContact OG-CD2 3.27Å; L201-L216 HydrophobicContact CD1-CD1 3.66Å; L201-L216 HydrophobicContact CD2-CD1 3.88Å; L201-L216 HydrophobicContact CG-CD1 4.39Å; L212-L216 HydrophobicContact CD1-CD1 3.67Å; L212-L216 HydrophobicContact CD1-CG 4.03Å; L212-L216 HydrophobicContact CG-CD1 3.88Å; L212-L216 WeakPolarHBondContact O-CB 3.23Å; L212-L216 WeakPolarHBondContact O-CG 3.34Å; L212-L216 PolarHBondContact O-N 3.16Å; F213-L216 PolarHBondContact O-N 2.92Å; L216-R219 PolarHBondContact O-N 3.25Å; L216-L220 HydrophobicContact CD2-CD1 4.02Å; L216-L220 VanDerWaalsContact O-CB 3.27Å; L216-L220 WeakPolarHBondContact O-CB 3.11Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.35Å; L216-I224 HydrophobicContact CB-CD1 4.04Å
217S98.5Very high96.6Very high12 Ų1234 Ų348%0.08415%0.151CC..Hα-helixtrans-58.5-50.9178.6175.10000111.6F213 C214 K221 Q222 C243F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.48Å; F213-S217 PolarHBondContact O-N 3.03Å; C214-S217 PolarHBondContact O-N 3.33Å; S217-K221 VanDerWaalsContact O-CA 3.31Å; S217-K221 WeakPolarHBondContact O-CA 3.25Å; S217-K221 PolarHBondContact O-N 2.57Å; S217-Q222 WeakPolarHBondContact CA-O 3.36Å; S217-Q222 WeakPolarHBondContact CB-O 3.31Å; S217-Q222 PolarHBondContact O-N 3.47Å; S217-Q222 PolarHBondContact OG-O 2.82Å; S217-Q222 VanDerWaalsContact OG-O 3.1Å; S217-C243 PolarHBondContact OG-O 2.98Å
218K98.1Very high96.5Very high122 Ų12239.2 Ų39.253%0.5318%0.175SC..Hα-helixtrans-60.8-48.6177.3-71.7175.1-177.7-177.20112.5C214 L220 K221C214-K218 WeakPolarHBondContact O-CB 3.2Å; C214-K218 VanDerWaalsContact O-CG 3.26Å; C214-K218 WeakPolarHBondContact O-CG 3.49Å; C214-K218 PolarHBondContact O-N 3.32Å; K218-L220 PolarHBondContact O-N 3.49Å; K218-K221 PolarHBondContact O-N 3.43Å
219R97.9Very high96.2Very high124 Ų12442.9 Ų42.947%0.46819%0.188SC..Hα-helixtrans-70.9-31.8-175-69.217466.575.17.1113.2S184 Q215 L216S184-R219 WeakPolarHBondContact OG-CD 3.44Å; S184-R219 PolarHBondContact OG-NE 3.37Å; S184-R219 VanDerWaalsContact OG-NE 3.15Å; Q215-R219 VanDerWaalsContact O-CB 3.24Å; Q215-R219 WeakPolarHBondContact O-CB 3.17Å; Q215-R219 WeakPolarHBondContact O-CD 2.92Å; Q215-R219 WeakPolarHBondContact O-CG 3.42Å; Q215-R219 PolarHBondContact O-N 2.99Å; L216-R219 PolarHBondContact O-N 3.25Å
220L97.9Very high95.9Very high29 Ų2942.7 Ų42.715%0.15219%0.188CC..Hα-helixtrans-96.7-4.6179.1-59.3176.7000112.8A187 A188 L216 K218 Q222 L253A187-L220 HydrophobicContact CB-CD1 3.7Å; A188-L220 HydrophobicContact CB-CD2 3.8Å; L216-L220 HydrophobicContact CD2-CD1 4.02Å; L216-L220 VanDerWaalsContact O-CB 3.27Å; L216-L220 WeakPolarHBondContact O-CB 3.11Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.35Å; K218-L220 PolarHBondContact O-N 3.49Å; L220-Q222 VanDerWaalsContact C-N 3.25Å; L220-Q222 PolarHBondContact O-N 2.93Å; L220-L253 HydrophobicContact CB-CD1 4Å; L220-L253 HydrophobicContact CD1-CD1 3.76Å; L220-L253 HydrophobicContact CD1-CD2 3.75Å; L220-L253 HydrophobicContact CD1-CG 4.41Å; L220-L253 HydrophobicContact CG-CD1 4.5Å
221K97.7Very high95.7Very high192 Ų19244 Ų4484%0.83520%0.195SC*.THydrogen-bonded Turntrans5441-179.5-55.2-178.7-179.9-176.90112.5S217 K218S217-K221 VanDerWaalsContact O-CA 3.31Å; S217-K221 WeakPolarHBondContact O-CA 3.25Å; S217-K221 PolarHBondContact O-N 2.57Å; K218-K221 PolarHBondContact O-N 3.43Å
222Q97.7Very high95.4Very high48 Ų4850.3 Ų50.322%0.22422%0.218CC..SBendtrans-143.9134.9178.7-64.7-168.5-4.700109.2S217 L220 L253S217-Q222 WeakPolarHBondContact CA-O 3.36Å; S217-Q222 WeakPolarHBondContact CB-O 3.31Å; S217-Q222 PolarHBondContact O-N 3.47Å; S217-Q222 PolarHBondContact OG-O 2.82Å; S217-Q222 VanDerWaalsContact OG-O 3.1Å; L220-Q222 VanDerWaalsContact C-N 3.25Å; L220-Q222 PolarHBondContact O-N 2.93Å; Q222-L253 HydrophobicContact CB-CD1 3.91Å; Q222-L253 HydrophobicContact CB-CG 4.26Å
223K98.1Very high95Very high82 Ų8250.3 Ų50.336%0.35722%0.219SC..PPolyproline II helixtrans-60.7158.3169.2-69.6-178.5170.9-169.20110.9D242 C243 L244 T245 T251K223-D242 VanDerWaalsContact CE-O 3.29Å; K223-D242 WeakPolarHBondContact CE-O 3.31Å; K223-C243 CarbonylContact C-O 3.58Å; K223-C243 WeakPolarHBondContact CA-O 3.31Å; K223-L244 WeakPolarHBondContact CD-O 3.15Å; K223-T245 HydrophobicContact CB-CG2 3.9Å; K223-T251 WeakPolarHBondContact O-CB 3.32Å; K223-T251 WeakPolarHBondContact O-CG2 3.32Å; K223-T251 PolarHBondContact O-OG1 3.05Å
224I97.3Very high94.8Very high0 Ų050.2 Ų50.20%022%0.219CC..EExtended strand (participates in β ladder)trans-103.1122.4176.3-59.4175000109.1L201 F213 L216 V226 C243 L244 T245 L253 A255L201-I224 HydrophobicContact CD1-CD1 4.26Å; F213-I224 HydrophobicContact CB-CD1 3.88Å; F213-I224 HydrophobicContact CD1-CD1 4.06Å; F213-I224 HydrophobicContact CG-CD1 4.21Å; F213-I224 VanDerWaalsContact O-CD1 3.3Å; F213-I224 WeakPolarHBondContact O-CD1 3.24Å; L216-I224 HydrophobicContact CB-CD1 4.04Å; I224-V226 HydrophobicContact CG2-CG1 4.4Å; I224-V226 PolarHBondContact O-N 2.92Å; I224-C243 PolarHBondContact N-O 3.08Å; I224-L244 HydrophobicContact CB-CD2 4Å; I224-L244 WeakPolarHBondContact O-CA 3.49Å; I224-T245 PolarHBondContact O-N 3Å; I224-L253 HydrophobicContact CG1-CB 4.05Å; I224-L253 HydrophobicContact CG1-CD1 4.13Å; I224-A255 HydrophobicContact CG2-CB 3.63Å
225H95.6Very high94.5Very high6 Ų656.6 Ų56.63%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-69.2124.3174.5167.2-105.9000110.5T245 S247 C248 T251 L253 H254 A255H225-T245 CarbonylContact C-O 3.47Å; H225-T245 VanDerWaalsContact CA-O 3.23Å; H225-T245 WeakPolarHBondContact CA-O 3.44Å; H225-T245 HydrophobicContact CB-CG2 4.3Å; H225-S247 VanDerWaalsContact CD2-C 3.45Å; H225-C248 VanDerWaalsContact CD2-CA 3.46Å; H225-C248 WeakPolarHBondContact CD2-CA 3.18Å; H225-C248 PolarHBondContact CD2-N 2.81Å; H225-C248 VanDerWaalsContact CD2-N 3.32Å; H225-T251 HydrophobicContact CB-CG2 3.53Å; H225-L253 PolarHBondContact N-O 3.38Å; H225-H254 HydrophobicContact CB-CB 4.46Å; H225-H254 WeakPolarHBondContact CB-ND1 3.36Å; H225-H254 AromaticContact CG-ND1 3.57Å; H225-H254 AromaticContact ND1-CG 3.98Å; H225-H254 AromaticContact ND1-ND1 3.18Å; H225-H254 PolarHBondContact ND1-ND1 2.85Å; H225-H254 VanDerWaalsContact ND1-ND1 3.18Å; H225-H254 CarbonylContact O-C 3.53Å; H225-H254 WeakPolarHBondContact O-CA 3.45Å; H225-A255 PolarHBondContact O-N 3.23Å
226V93.5Very high94.1Very high0 Ų059.4 Ų59.40%027%0.267CS..  trans-130.1169.4176.2-65.80000109.5I224 L230 L231 L244 T245 A255I224-V226 HydrophobicContact CG2-CG1 4.4Å; I224-V226 PolarHBondContact O-N 2.92Å; V226-L230 HydrophobicContact CB-CB 4.38Å; V226-L230 HydrophobicContact CB-CD2 4.02Å; V226-L230 HydrophobicContact CG1-CD2 3.86Å; V226-L231 HydrophobicContact CG2-CB 3.98Å; V226-L244 HydrophobicContact CG1-CD2 3.98Å; V226-L244 HydrophobicContact CG2-CB 4.11Å; V226-L244 HydrophobicContact CG2-CD1 4.26Å; V226-T245 PolarHBondContact N-O 3.25Å; V226-A255 HydrophobicContact CG1-CB 4.1Å
227N89.4Confident93.8Very high19 Ų1960.2 Ų60.210%0.10227%0.272CS..  trans-71.9155.5172.16535.6000111.3R229 L230 L231N227-R229 PolarHBondContact O-N 3.4Å; N227-R229 VanDerWaalsContact O-N 3.16Å; N227-R229 PolarHBondContact OD1-N 3.41Å; N227-L230 PolarHBondContact O-N 2.74Å; N227-L230 VanDerWaalsContact O-N 3.13Å; N227-L230 VanDerWaalsContact OD1-CB 3.29Å; N227-L230 WeakPolarHBondContact OD1-CB 3.47Å; N227-L230 PolarHBondContact OD1-N 3.4Å; N227-L231 PolarHBondContact O-N 3.1Å; N227-L231 VanDerWaalsContact O-N 3.1Å
228E88.9Confident93.6Very high113 Ų11362.3 Ų62.353%0.52829%0.289SS..Hα-helixtrans-53-38.5179.6-171.5-163.1154.300111.7L230 L231 R232E228-L230 PolarHBondContact O-N 3.1Å; E228-L231 PolarHBondContact O-N 3.22Å; E228-R232 WeakPolarHBondContact O-CB 3.35Å; E228-R232 PolarHBondContact O-N 3.12Å; E228-R232 IonicContact OE1-CZ 3.45Å; E228-R232 IonicContact OE1-NH2 3.55Å; E228-R232 PolarHBondContact OE1-NH2 3.02Å
229R87.6Confident93.4Very high80 Ų8060.9 Ų60.930%0.30229%0.287SS..Hα-helixtrans-60.8-46.5-179.6-178.9-179.8175.6176.8-0.1112.2D71 N227 A233D71-R229 IonicContact OD1-NH2 3.92Å; D71-R229 IonicContact OD2-CZ 3.09Å; D71-R229 IonicContact OD2-NH2 3.53Å; D71-R229 PolarHBondContact OD2-NH2 2.78Å; N227-R229 PolarHBondContact O-N 3.4Å; N227-R229 VanDerWaalsContact O-N 3.16Å; N227-R229 PolarHBondContact OD1-N 3.41Å; R229-A233 PolarHBondContact O-N 3.11Å
230L90.1Very high93.3Very high5 Ų555 Ų553%0.02627%0.266CS..Hα-helixtrans-70-40.2179.2-173.365.5000110.8Y207 F213 V226 N227 E228 A233 Y234 V257Y207-L230 HydrophobicContact CE1-CD1 4.23Å; F213-L230 HydrophobicContact CE2-CD2 4.23Å; V226-L230 HydrophobicContact CB-CB 4.38Å; V226-L230 HydrophobicContact CB-CD2 4.02Å; V226-L230 HydrophobicContact CG1-CD2 3.86Å; N227-L230 PolarHBondContact O-N 2.74Å; N227-L230 VanDerWaalsContact O-N 3.13Å; N227-L230 VanDerWaalsContact OD1-CB 3.29Å; N227-L230 WeakPolarHBondContact OD1-CB 3.47Å; N227-L230 PolarHBondContact OD1-N 3.4Å; E228-L230 PolarHBondContact O-N 3.1Å; L230-A233 WeakPolarHBondContact O-CB 3.29Å; L230-A233 PolarHBondContact O-N 3.28Å; L230-Y234 HydrophobicContact CD1-CD2 4.22Å; L230-Y234 HydrophobicContact CD1-CE2 3.49Å; L230-Y234 VanDerWaalsContact CD1-CE2 3.49Å; L230-Y234 HydrophobicContact CD2-CE2 4.27Å; L230-Y234 HydrophobicContact CG-CD2 4.1Å; L230-Y234 HydrophobicContact CG-CE2 3.66Å; L230-Y234 VanDerWaalsContact O-CD2 3.25Å; L230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L230-Y234 PolarHBondContact O-N 3.38Å; L230-V257 HydrophobicContact CD1-CG2 4.39Å; L230-V257 HydrophobicContact CD2-CB 4.46Å; L230-V257 HydrophobicContact CD2-CG1 3.76Å; L230-V257 HydrophobicContact CD2-CG2 3.82Å
231L93Very high93.2Very high35 Ų3554.7 Ų54.718%0.18327%0.266CS..Hα-helixtrans-59.4-47.2175.2-176.760.2000111.1V226 N227 E228 A233 Y234 E235 L244 D246V226-L231 HydrophobicContact CG2-CB 3.98Å; N227-L231 PolarHBondContact O-N 3.1Å; N227-L231 VanDerWaalsContact O-N 3.1Å; E228-L231 PolarHBondContact O-N 3.22Å; L231-A233 VanDerWaalsContact C-N 3.31Å; L231-A233 PolarHBondContact O-N 3.25Å; L231-Y234 CarbonylContact O-C 3.47Å; L231-Y234 PolarHBondContact O-N 2.91Å; L231-Y234 VanDerWaalsContact O-N 3.08Å; L231-E235 PolarHBondContact O-N 2.88Å; L231-E235 VanDerWaalsContact O-N 3.12Å; L231-L244 HydrophobicContact CD1-CB 3.74Å; L231-D246 HydrophobicContact CD2-CB 3.78Å
232R91.1Very high93.2Very high152 Ų15250.7 Ų50.757%0.57425%0.254SS*.Hα-helixtrans-60.1-38.8175.8-172-177.2-68.3-164.82.3112.3E228 Y234 E235E228-R232 WeakPolarHBondContact O-CB 3.35Å; E228-R232 PolarHBondContact O-N 3.12Å; E228-R232 IonicContact OE1-CZ 3.45Å; E228-R232 IonicContact OE1-NH2 3.55Å; E228-R232 PolarHBondContact OE1-NH2 3.02Å; R232-Y234 PolarHBondContact O-N 3.12Å; R232-E235 VanDerWaalsContact O-CB 3.27Å; R232-E235 WeakPolarHBondContact O-CB 3.22Å; R232-E235 PolarHBondContact O-N 2.89Å; R232-E235 VanDerWaalsContact O-N 3.16Å
233A90.4Very high93.2Very high4 Ų448.8 Ų48.83%0.03325%0.245CC..Hα-helixtrans-61.6-28.817700000112.7L67 Y207 R229 L230 L231L67-A233 HydrophobicContact CD2-CB 4.03Å; L67-A233 VanDerWaalsContact CD2-O 3.31Å; L67-A233 WeakPolarHBondContact CD2-O 3.43Å; Y207-A233 HydrophobicContact CE1-CB 4.43Å; R229-A233 PolarHBondContact O-N 3.11Å; L230-A233 WeakPolarHBondContact O-CB 3.29Å; L230-A233 PolarHBondContact O-N 3.28Å; L231-A233 VanDerWaalsContact C-N 3.31Å; L231-A233 PolarHBondContact O-N 3.25Å
234Y93.3Very high93.1Very high0 Ų045 Ų450%023%0.229CC..THydrogen-bonded Turntrans-994.4176.7-62.6-55.9000114.4I114 Y207 E210 L230 L231 R232 T236 V237 I240 L244I114-Y234 HydrophobicContact CG2-CE1 3.83Å; Y207-Y234 HydrophobicContact CD1-CE1 4.3Å; Y207-Y234 WeakPolarHBondContact CD1-OH 3.5Å; Y207-Y234 HydrophobicContact CE1-CE1 4.48Å; E210-Y234 HydrophobicContact CG-CE1 3.76Å; E210-Y234 WeakPolarHBondContact CG-OH 3.42Å; E210-Y234 PolarHBondContact OE1-OH 3.36Å; L230-Y234 HydrophobicContact CD1-CD2 4.22Å; L230-Y234 HydrophobicContact CD1-CE2 3.49Å; L230-Y234 VanDerWaalsContact CD1-CE2 3.49Å; L230-Y234 HydrophobicContact CD2-CE2 4.27Å; L230-Y234 HydrophobicContact CG-CD2 4.1Å; L230-Y234 HydrophobicContact CG-CE2 3.66Å; L230-Y234 VanDerWaalsContact O-CD2 3.25Å; L230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L230-Y234 PolarHBondContact O-N 3.38Å; L231-Y234 CarbonylContact O-C 3.47Å; L231-Y234 PolarHBondContact O-N 2.91Å; L231-Y234 VanDerWaalsContact O-N 3.08Å; R232-Y234 PolarHBondContact O-N 3.12Å; Y234-T236 PolarHBondContact O-N 3.05Å; Y234-T236 VanDerWaalsContact O-N 3.1Å; Y234-V237 PolarHBondContact O-N 3.03Å; Y234-I240 HydrophobicContact CD1-CB 4.48Å; Y234-I240 HydrophobicContact CD1-CD1 4.07Å; Y234-I240 HydrophobicContact CD1-CG2 3.91Å; Y234-I240 HydrophobicContact CD2-CG2 3.8Å; Y234-I240 HydrophobicContact CE1-CD1 4.26Å; Y234-I240 HydrophobicContact CE1-CG2 4.34Å; Y234-I240 HydrophobicContact CE2-CG2 4.22Å; Y234-I240 HydrophobicContact CG-CB 4.39Å; Y234-I240 HydrophobicContact CG-CG2 3.62Å; Y234-L244 HydrophobicContact CD2-CD1 3.6Å; Y234-L244 HydrophobicContact CE2-CD1 4.18Å; Y234-L244 HydrophobicContact CG-CD1 4.47Å
235E92.1Very high93.1Very high139 Ų13945.4 Ų45.465%0.6523%0.231SC*.THydrogen-bonded Turntrans-54.2-36.8-173.8-175.8177.5-168.700112.6L231 R232 V237L231-E235 PolarHBondContact O-N 2.88Å; L231-E235 VanDerWaalsContact O-N 3.12Å; R232-E235 VanDerWaalsContact O-CB 3.27Å; R232-E235 WeakPolarHBondContact O-CB 3.22Å; R232-E235 PolarHBondContact O-N 2.89Å; R232-E235 VanDerWaalsContact O-N 3.16Å; E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.28Å
236T89.2Confident92.9Very high82 Ų8249.3 Ų49.350%0.50325%0.252SS..THydrogen-bonded Turntrans-82.23.818066.10000114.2T66 Y234T66-T236 HydrophobicContact CG2-CG2 4.44Å; Y234-T236 PolarHBondContact O-N 3.05Å; Y234-T236 VanDerWaalsContact O-N 3.1Å
237V93.2Very high92.9Very high21 Ų2151.6 Ų51.613%0.12727%0.268CS..  trans-125.982-175.9-167.50000109.3L63 I114 Y234 E235 D239 I240 S241L63-V237 HydrophobicContact CD2-CG2 3.96Å; I114-V237 HydrophobicContact CD1-CB 4.29Å; I114-V237 HydrophobicContact CD1-CG1 3.86Å; I114-V237 HydrophobicContact CD1-CG2 3.8Å; Y234-V237 PolarHBondContact O-N 3.03Å; E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.28Å; V237-D239 VanDerWaalsContact C-N 3.32Å; V237-D239 PolarHBondContact O-N 2.66Å; V237-I240 HydrophobicContact CB-CD1 4.32Å; V237-I240 HydrophobicContact CG1-CB 4.39Å; V237-I240 HydrophobicContact CG1-CD1 3.75Å; V237-I240 HydrophobicContact CG1-CG1 3.97Å; V237-I240 PolarHBondContact O-N 3.03Å; V237-S241 PolarHBondContact O-N 2.81Å; V237-S241 PolarHBondContact O-OG 3.3Å
238A93.7Very high92.9Very high55 Ų5551.5 Ų51.546%0.45527%0.269SS..Hα-helixtrans-48.8-46.8-172.200000113.7I240 S241 D242A238-I240 PolarHBondContact O-N 3.21Å; A238-S241 WeakPolarHBondContact CA-OG 3.27Å; A238-S241 PolarHBondContact O-N 3.21Å; A238-S241 PolarHBondContact O-OG 3.15Å; A238-D242 VanDerWaalsContact O-CB 3.24Å; A238-D242 WeakPolarHBondContact O-CB 3.33Å; A238-D242 PolarHBondContact O-N 3.23Å
239D93.3Very high93Very high92 Ų9252.6 Ų52.649%0.49228%0.279SS..Hα-helixtrans-55.3-28.8179.7-72.7-10.1000113.9C214 V237 C243C214-D239 PolarHBondContact SG-O 2.99Å; C214-D239 VanDerWaalsContact SG-O 3.37Å; V237-D239 VanDerWaalsContact C-N 3.32Å; V237-D239 PolarHBondContact O-N 2.66Å; D239-C243 PolarHBondContact O-SG 3.13Å; D239-C243 VanDerWaalsContact O-SG 3.33Å
240I96.4Very high93.2Very high2 Ų254.1 Ų54.11%0.0129%0.289CS..Hα-helixtrans-92.2-51.7177.2-58.1173.1000109.9I114 E210 Y234 V237 A238 D242 C243 L244I114-I240 HydrophobicContact CD1-CD1 3.5Å; E210-I240 HydrophobicContact CB-CD1 3.76Å; E210-I240 HydrophobicContact CB-CG1 4.28Å; E210-I240 HydrophobicContact CG-CD1 3.75Å; Y234-I240 HydrophobicContact CD1-CB 4.48Å; Y234-I240 HydrophobicContact CD1-CD1 4.07Å; Y234-I240 HydrophobicContact CD1-CG2 3.91Å; Y234-I240 HydrophobicContact CD2-CG2 3.8Å; Y234-I240 HydrophobicContact CE1-CD1 4.26Å; Y234-I240 HydrophobicContact CE1-CG2 4.34Å; Y234-I240 HydrophobicContact CE2-CG2 4.22Å; Y234-I240 HydrophobicContact CG-CB 4.39Å; Y234-I240 HydrophobicContact CG-CG2 3.62Å; V237-I240 HydrophobicContact CB-CD1 4.32Å; V237-I240 HydrophobicContact CG1-CB 4.39Å; V237-I240 HydrophobicContact CG1-CD1 3.75Å; V237-I240 HydrophobicContact CG1-CG1 3.97Å; V237-I240 PolarHBondContact O-N 3.03Å; A238-I240 PolarHBondContact O-N 3.21Å; I240-D242 VanDerWaalsContact C-N 3.27Å; I240-D242 PolarHBondContact O-N 3.15Å; I240-C243 WeakPolarHBondContact O-CB 3.22Å; I240-C243 PolarHBondContact O-N 3.22Å; I240-L244 HydrophobicContact CG2-CD1 3.95Å; I240-L244 WeakPolarHBondContact O-CG 3.24Å
241S96.1Very high93.5Very high22 Ų2254.1 Ų54.115%0.15429%0.29CS..Hα-helixtrans-61.6-33.9-17654.70000112.8V237 A238 C243 L244V237-S241 PolarHBondContact O-N 2.81Å; V237-S241 PolarHBondContact O-OG 3.3Å; A238-S241 WeakPolarHBondContact CA-OG 3.27Å; A238-S241 PolarHBondContact O-N 3.21Å; A238-S241 PolarHBondContact O-OG 3.15Å; S241-C243 PolarHBondContact O-N 3.09Å; S241-L244 PolarHBondContact O-N 2.72Å
242D97Very high93.6Very high108 Ų10855.7 Ų55.758%0.57829%0.293SS*.THydrogen-bonded Turntrans-63.7-23.3175.2-72.9-18.7000113.1K223 A238 I240 L244K223-D242 VanDerWaalsContact CE-O 3.29Å; K223-D242 WeakPolarHBondContact CE-O 3.31Å; A238-D242 VanDerWaalsContact O-CB 3.24Å; A238-D242 WeakPolarHBondContact O-CB 3.33Å; A238-D242 PolarHBondContact O-N 3.23Å; I240-D242 VanDerWaalsContact C-N 3.27Å; I240-D242 PolarHBondContact O-N 3.15Å; D242-L244 VanDerWaalsContact C-N 3.34Å
243C97.8Very high93.9Very high8 Ų848.7 Ų48.75%0.05427%0.267CS..THydrogen-bonded Turntrans-86.2-7.1177.1-63.50000113S217 K223 I224 D239 I240 S241S217-C243 PolarHBondContact OG-O 2.98Å; K223-C243 CarbonylContact C-O 3.58Å; K223-C243 WeakPolarHBondContact CA-O 3.31Å; I224-C243 PolarHBondContact N-O 3.08Å; D239-C243 PolarHBondContact O-SG 3.13Å; D239-C243 VanDerWaalsContact O-SG 3.33Å; I240-C243 WeakPolarHBondContact O-CB 3.22Å; I240-C243 PolarHBondContact O-N 3.22Å; S241-C243 PolarHBondContact O-N 3.09Å
244L97.2Very high94.2Very high3 Ų348.5 Ų48.52%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-118158.2-171.2-57.9-179.2000111.9F213 K223 I224 V226 L231 Y234 I240 S241 D242F213-L244 HydrophobicContact CB-CD2 4.24Å; F213-L244 HydrophobicContact CD2-CD2 4.03Å; F213-L244 HydrophobicContact CG-CD2 4.38Å; K223-L244 WeakPolarHBondContact CD-O 3.15Å; I224-L244 HydrophobicContact CB-CD2 4Å; I224-L244 WeakPolarHBondContact O-CA 3.49Å; V226-L244 HydrophobicContact CG1-CD2 3.98Å; V226-L244 HydrophobicContact CG2-CB 4.11Å; V226-L244 HydrophobicContact CG2-CD1 4.26Å; L231-L244 HydrophobicContact CD1-CB 3.74Å; Y234-L244 HydrophobicContact CD2-CD1 3.6Å; Y234-L244 HydrophobicContact CE2-CD1 4.18Å; Y234-L244 HydrophobicContact CG-CD1 4.47Å; I240-L244 HydrophobicContact CG2-CD1 3.95Å; I240-L244 WeakPolarHBondContact O-CG 3.24Å; S241-L244 PolarHBondContact O-N 2.72Å; D242-L244 VanDerWaalsContact C-N 3.34Å
245T95.8Very high94.2Very high7 Ų748.6 Ų48.64%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-146.2152.1172.2-178.30000109.4K223 I224 H225 V226 S247 E250 T251K223-T245 HydrophobicContact CB-CG2 3.9Å; I224-T245 PolarHBondContact O-N 3Å; H225-T245 CarbonylContact C-O 3.47Å; H225-T245 VanDerWaalsContact CA-O 3.23Å; H225-T245 WeakPolarHBondContact CA-O 3.44Å; H225-T245 HydrophobicContact CB-CG2 4.3Å; V226-T245 PolarHBondContact N-O 3.25Å; T245-S247 WeakPolarHBondContact OG1-CB 3.35Å; T245-S247 PolarHBondContact OG1-N 3.44Å; T245-S247 VanDerWaalsContact OG1-N 3.1Å; T245-E250 WeakPolarHBondContact CB-OE2 3.44Å; T245-E250 PolarHBondContact OG1-OE2 3.44Å; T245-T251 HydrophobicContact CG2-CG2 3.92Å
246D92.6Very high94.1Very high88 Ų8843.6 Ų43.647%0.47124%0.242SC..SBendtrans-97.91.1168.962.5-9.5000112.2L231L231-D246 HydrophobicContact CD2-CB 3.78Å
247S93Very high94Very high48 Ų4839.8 Ų39.834%0.33622%0.219SC..  trans-85.5110.9173.4-177.20000111.6H225 T245 D249H225-S247 VanDerWaalsContact CD2-C 3.45Å; T245-S247 WeakPolarHBondContact OG1-CB 3.35Å; T245-S247 PolarHBondContact OG1-N 3.44Å; T245-S247 VanDerWaalsContact OG1-N 3.1Å; S247-D249 VanDerWaalsContact C-N 3.27Å; S247-D249 PolarHBondContact O-N 2.81Å
248C89.9Confident93.2Very high18 Ų1839.3 Ų39.312%0.12222%0.217CC..SBendtrans-62.5-32177.2165.30000112.5H225 H254 C272H225-C248 VanDerWaalsContact CD2-CA 3.46Å; H225-C248 WeakPolarHBondContact CD2-CA 3.18Å; H225-C248 PolarHBondContact CD2-N 2.81Å; H225-C248 VanDerWaalsContact CD2-N 3.32Å; C248-H254 PolarHBondContact O-CE1 2.87Å; C248-H254 VanDerWaalsContact O-CE1 3.32Å; C248-C272 HydrophobicContact CB-CB 3.88Å; C248-C272 WeakPolarHBondContact CB-SG 3.43Å; C248-C272 WeakPolarHBondContact SG-CA 3.32Å; C248-C272 WeakPolarHBondContact SG-CB 3.43Å; C248-C272 CovalentContact SG-SG 2.05Å; C248-C272 PolarHBondContact SG-SG 2.74Å
249D90.1Very high91.8Very high135 Ų13538.5 Ų38.572%0.72220%0.204SC*.THydrogen-bonded Turntrans-87.7-15.2-173.6-63.8-40.2000113.8S247 T251S247-D249 VanDerWaalsContact C-N 3.27Å; S247-D249 PolarHBondContact O-N 2.81Å; D249-T251 PolarHBondContact O-N 3.47Å
250E92.9Very high90.2Very high112 Ų11237.8 Ų37.852%0.52320%0.198SC..THydrogen-bonded Turntrans-70.7-18.2180-170.2-174.5165.700112.9T245T245-E250 WeakPolarHBondContact CB-OE2 3.44Å; T245-E250 PolarHBondContact OG1-OE2 3.44Å
251T95.9Very high87.9Confident6 Ų643.9 Ų43.94%0.03722%0.221CC..  trans-145.8162.3-170.1-177.50000113.3R198 K223 H225 T245 D249 L253R198-T251 PolarHBondContact NH1-O 3.13Å; K223-T251 WeakPolarHBondContact O-CB 3.32Å; K223-T251 WeakPolarHBondContact O-CG2 3.32Å; K223-T251 PolarHBondContact O-OG1 3.05Å; H225-T251 HydrophobicContact CB-CG2 3.53Å; T245-T251 HydrophobicContact CG2-CG2 3.92Å; D249-T251 PolarHBondContact O-N 3.47Å; T251-L253 VanDerWaalsContact CG2-O 3.27Å; T251-L253 WeakPolarHBondContact CG2-O 3.42Å; T251-L253 PolarHBondContact OG1-N 3.29Å
252R95.7Very high85.5Confident67 Ų6746.6 Ų46.625%0.25325%0.252SS..SBendtrans-103.84.4170.3-59.7-179.5-60.3-179.6-1.2112.7L191 S195 R198 I199L191-R252 HydrophobicContact CD2-CB 3.85Å; S195-R252 WeakPolarHBondContact O-CD 3.49Å; S195-R252 PolarHBondContact O-NH1 3.26Å; R198-R252 WeakPolarHBondContact CA-O 3.4Å; R198-R252 HydrophobicContact CG-CB 4.15Å; R198-R252 HydrophobicContact CG-CG 4.46Å; I199-R252 PolarHBondContact N-O 3.08Å
253L97Very high83.1Confident6 Ų649.6 Ų49.63%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-108.2120.9177-55-178000109.3L191 I199 L220 Q222 I224 H225 T251L191-L253 HydrophobicContact CD1-CD2 3.88Å; I199-L253 HydrophobicContact CB-CD2 3.72Å; I199-L253 HydrophobicContact CG1-CD2 3.73Å; I199-L253 HydrophobicContact CG2-CD2 4.47Å; L220-L253 HydrophobicContact CB-CD1 4Å; L220-L253 HydrophobicContact CD1-CD1 3.76Å; L220-L253 HydrophobicContact CD1-CD2 3.75Å; L220-L253 HydrophobicContact CD1-CG 4.41Å; L220-L253 HydrophobicContact CG-CD1 4.5Å; Q222-L253 HydrophobicContact CB-CD1 3.91Å; Q222-L253 HydrophobicContact CB-CG 4.26Å; I224-L253 HydrophobicContact CG1-CB 4.05Å; I224-L253 HydrophobicContact CG1-CD1 4.13Å; H225-L253 PolarHBondContact N-O 3.38Å; T251-L253 VanDerWaalsContact CG2-O 3.27Å; T251-L253 WeakPolarHBondContact CG2-O 3.42Å; T251-L253 PolarHBondContact OG1-N 3.29Å
254H95.5Very high80.7Confident0 Ų052.8 Ų52.80%027%0.272CS..EExtended strand (participates in β ladder)trans-126.8143.4-179.3-50.5-93.4000109.6R198 I199 L200 L201 H225 C248 C272 V275R198-H254 PolarHBondContact NH1-NE2 3.19Å; I199-H254 PolarHBondContact O-N 3.23Å; L200-H254 CarbonylContact C-O 3.55Å; L200-H254 WeakPolarHBondContact CA-O 3.42Å; L200-H254 HydrophobicContact CD1-CB 4.19Å; L201-H254 PolarHBondContact N-O 3.09Å; H225-H254 HydrophobicContact CB-CB 4.46Å; H225-H254 WeakPolarHBondContact CB-ND1 3.36Å; H225-H254 AromaticContact CG-ND1 3.57Å; H225-H254 AromaticContact ND1-CG 3.98Å; H225-H254 AromaticContact ND1-ND1 3.18Å; H225-H254 PolarHBondContact ND1-ND1 2.85Å; H225-H254 VanDerWaalsContact ND1-ND1 3.18Å; H225-H254 CarbonylContact O-C 3.53Å; H225-H254 WeakPolarHBondContact O-CA 3.45Å; C248-H254 PolarHBondContact O-CE1 2.87Å; C248-H254 VanDerWaalsContact O-CE1 3.32Å; H254-C272 PolarHBondContact CE1-SG 3.4Å; H254-C272 PolarHBondContact ND1-SG 3.42Å; H254-V275 HydrophobicContact CB-CG1 3.96Å; H254-V275 WeakPolarHBondContact CD2-CG1 3.2Å
255A94.6Very high78.6Confident1 Ų153.6 Ų53.61%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-129123.5176.700000111.4L201 F213 I224 H225 V226L201-A255 HydrophobicContact CB-CB 3.91Å; L201-A255 HydrophobicContact CD1-CB 4.22Å; L201-A255 HydrophobicContact CG-CB 4.45Å; L201-A255 CarbonylContact O-C 3.54Å; L201-A255 WeakPolarHBondContact O-CA 3.48Å; F213-A255 HydrophobicContact CE1-CB 3.75Å; F213-A255 HydrophobicContact CZ-CB 3.7Å; I224-A255 HydrophobicContact CG2-CB 3.63Å; H225-A255 PolarHBondContact O-N 3.23Å; V226-A255 HydrophobicContact CG1-CB 4.1Å
256F90Very high76.3Confident34 Ų3456.8 Ų56.815%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-106.9115.4174.6-66-1000108.1L200 L201 C203 H269 V275L200-F256 HydrophobicContact CD1-CB 4.33Å; L200-F256 HydrophobicContact CD1-CD1 3.74Å; L200-F256 HydrophobicContact CD1-CD2 3.71Å; L200-F256 HydrophobicContact CD1-CE1 3.9Å; L200-F256 HydrophobicContact CD1-CE2 3.88Å; L200-F256 HydrophobicContact CD1-CG 3.65Å; L200-F256 HydrophobicContact CD1-CZ 3.99Å; L200-F256 HydrophobicContact CD2-CD2 4.22Å; L200-F256 HydrophobicContact CD2-CE2 4.22Å; L201-F256 PolarHBondContact O-N 3.12Å; C203-F256 WeakPolarHBondContact CB-O 3.24Å; C203-F256 PolarHBondContact N-O 3.09Å; F256-H269 HydrophobicContact CD1-CB 4.23Å; F256-H269 AromaticContact CD1-CD2 3.43Å; F256-H269 VanDerWaalsContact CD1-CD2 3.43Å; F256-H269 WeakPolarHBondContact CD1-CD2 3.38Å; F256-H269 AromaticContact CD1-CE1 3.23Å; F256-H269 WeakPolarHBondContact CD1-CE1 3.33Å; F256-H269 AromaticContact CD1-CG 3.41Å; F256-H269 VanDerWaalsContact CD1-CG 3.41Å; F256-H269 AromaticContact CD1-ND1 3.3Å; F256-H269 VanDerWaalsContact CD1-ND1 3.3Å; F256-H269 WeakPolarHBondContact CD1-ND1 3.48Å; F256-H269 AromaticContact CD1-NE2 3.32Å; F256-H269 VanDerWaalsContact CD1-NE2 3.32Å; F256-H269 WeakPolarHBondContact CD1-NE2 3.49Å; F256-H269 HydrophobicContact CD2-CB 4.16Å; F256-H269 AromaticContact CD2-CD2 3.63Å; F256-H269 AromaticContact CD2-CG 3.89Å; F256-H269 HydrophobicContact CE1-CB 3.71Å; F256-H269 AromaticContact CE1-CD2 3.83Å; F256-H269 AromaticContact CE1-CE1 3.66Å; F256-H269 AromaticContact CE1-CG 3.3Å; F256-H269 AromaticContact CE1-ND1 3.2Å; F256-H269 WeakPolarHBondContact CE1-ND1 3.37Å; F256-H269 HydrophobicContact CE2-CB 3.6Å; F256-H269 AromaticContact CE2-CD2 3.99Å; F256-H269 AromaticContact CE2-CG 3.78Å; F256-H269 HydrophobicContact CG-CB 4.45Å; F256-H269 AromaticContact CG-CD2 3.32Å; F256-H269 WeakPolarHBondContact CG-CD2 3.45Å; F256-H269 AromaticContact CG-CE1 3.86Å; F256-H269 AromaticContact CG-CG 3.71Å; F256-H269 AromaticContact CG-NE2 3.43Å; F256-H269 WeakPolarHBondContact CG-NE2 3.06Å; F256-H269 HydrophobicContact CZ-CB 3.33Å; F256-H269 AromaticContact CZ-CG 3.47Å; F256-H269 VanDerWaalsContact CZ-CG 3.47Å; F256-H269 AromaticContact CZ-ND1 3.84Å; F256-V275 HydrophobicContact CE1-CG2 4.36Å; F256-V275 HydrophobicContact CE2-CG2 4.04Å; F256-V275 HydrophobicContact CZ-CG2 3.45Å; F256-V275 VanDerWaalsContact CZ-CG2 3.45Å
257V85.6Confident74.1Confident3 Ų359.2 Ų59.22%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-100.3137.9175-61.40000109.4C203 Y205 F213 L230C203-V257 HydrophobicContact CB-CB 4.43Å; C203-V257 HydrophobicContact CB-CG1 3.9Å; Y205-V257 WeakPolarHBondContact O-CB 3.47Å; F213-V257 HydrophobicContact CZ-CG1 4.24Å; L230-V257 HydrophobicContact CD1-CG2 4.39Å; L230-V257 HydrophobicContact CD2-CB 4.46Å; L230-V257 HydrophobicContact CD2-CG1 3.76Å; L230-V257 HydrophobicContact CD2-CG2 3.82Å
258S76.5Confident72.1Confident11 Ų1161.6 Ų61.68%0.07731%0.313CS..  trans-81.6122.9176.6-52.40000109.2C203 P204 Y205 Q206 E260C203-S258 PolarHBondContact O-N 3.03Å; C203-S258 PolarHBondContact O-OG 2.6Å; C203-S258 VanDerWaalsContact O-OG 3.13Å; P204-S258 WeakPolarHBondContact O-CB 3.03Å; Y205-S258 CarbonylContact C-O 3.57Å; Q206-S258 PolarHBondContact N-O 3.06Å; S258-E260 VanDerWaalsContact C-N 3.33Å
259L65.7Low70.5Confident38 Ų3860.9 Ų60.920%0.19931%0.308CS..SBendtrans-72.2-28.7176.8-66173000112.1Q206 D265Q206-L259 HydrophobicContact CG-CD2 4.39Å; L259-D265 HydrophobicContact CD1-CB 4.39Å; L259-D265 WeakPolarHBondContact CD1-OD2 3.47Å
260E58.7Low68.8Low77 Ų7760.7 Ų60.736%0.3630%0.301SS..BIsolated β-bridgetrans-141.9151.1174.3-67.1-179.5171.900109.4S258 G262 R263S258-E260 VanDerWaalsContact C-N 3.33Å; E260-G262 PolarHBondContact O-N 2.89Å; E260-R263 HydrophobicContact CB-CB 4.41Å; E260-R263 PolarHBondContact O-N 3.28Å; E260-R263 IonicContact OE1-NH2 3.26Å; E260-R263 IonicContact OE2-CZ 3.06Å; E260-R263 IonicContact OE2-NE 3.28Å; E260-R263 PolarHBondContact OE2-NE 3.31Å; E260-R263 IonicContact OE2-NH2 3.36Å; E260-R263 PolarHBondContact OE2-NH2 2.93Å
261R48.5Very low67Low129 Ų12959.8 Ų59.849%0.48731%0.306SS..THydrogen-bonded Turntrans-52.9117.8174.5-79.7-174.1179.9-141.6-2.4110.3R263R261-R263 VanDerWaalsContact C-N 3.29Å; R261-R263 PolarHBondContact O-N 3.43Å
262G45.8Very low65.7Low79 Ų7959.5 Ų59.581%0.81430%0.304SS*.THydrogen-bonded Turntrans82.4-5.5172.600000115.6E260E260-G262 PolarHBondContact O-N 2.89Å
263R46.4Very low64.4Low172 Ų17264.9 Ų64.965%0.64933%0.329SS*.BIsolated β-bridgetrans-98.590.7162.9-70.3-159.7-105.2-141.51.2107.9E260 R261 D265E260-R263 HydrophobicContact CB-CB 4.41Å; E260-R263 PolarHBondContact O-N 3.28Å; E260-R263 IonicContact OE1-NH2 3.26Å; E260-R263 IonicContact OE2-CZ 3.06Å; E260-R263 IonicContact OE2-NE 3.28Å; E260-R263 PolarHBondContact OE2-NE 3.31Å; E260-R263 IonicContact OE2-NH2 3.36Å; E260-R263 PolarHBondContact OE2-NH2 2.93Å; R261-R263 VanDerWaalsContact C-N 3.29Å; R261-R263 PolarHBondContact O-N 3.43Å; R263-D265 PolarHBondContact O-N 2.7Å
264D47.9Very low63.1Low74 Ų7466.1 Ų66.140%0.39634%0.34SS..  trans-53.9130.8160.8-75.1-29.7000106.9K202 V266K202-D264 WeakPolarHBondContact CE-OD1 3.33Å; K202-D264 IonicContact NZ-OD1 3.84Å; K202-D264 PolarHBondContact NZ-OD1 2.91Å; K202-D264 IonicContact NZ-OD2 3.23Å; K202-D264 PolarHBondContact NZ-OD2 2.72Å; D264-V266 HydrophobicContact CB-CG2 3.27Å; D264-V266 PolarHBondContact O-N 3.12Å
265D52.5Low62.2Low20 Ų2066.7 Ų66.711%0.10734%0.344CS..  trans-72.842.7171-163.45.7000111.1L259 R263 E267 N268 H269L259-D265 HydrophobicContact CD1-CB 4.39Å; L259-D265 WeakPolarHBondContact CD1-OD2 3.47Å; R263-D265 PolarHBondContact O-N 2.7Å; D265-E267 PolarHBondContact O-N 3.46Å; D265-E267 VanDerWaalsContact O-N 3.08Å; D265-N268 PolarHBondContact O-N 3.45Å; D265-N268 VanDerWaalsContact O-N 3.15Å; D265-N268 VanDerWaalsContact OD1-CB 3.22Å; D265-N268 WeakPolarHBondContact OD1-CB 3.43Å; D265-N268 PolarHBondContact OD1-N 3.15Å; D265-N268 PolarHBondContact OD1-ND2 2.98Å; D265-N268 WeakPolarHBondContact OD2-CB 3.14Å; D265-N268 PolarHBondContact OD2-ND2 2.95Å; D265-H269 PolarHBondContact O-CD2 3.24Å; D265-H269 PolarHBondContact O-N 2.73Å
266V47.2Very low61.3Low75 Ų7571.9 Ų71.946%0.45537%0.368SS..THydrogen-bonded Turntrans-53.8-32.3179.3-168.80000109.7D264 K270D264-V266 HydrophobicContact CB-CG2 3.27Å; D264-V266 PolarHBondContact O-N 3.12Å; V266-K270 WeakPolarHBondContact O-CG 3.47Å; V266-K270 PolarHBondContact O-N 2.95Å
267E46.8Very low60.8Low139 Ų13974 Ų7465%0.6538%0.381SS*.THydrogen-bonded Turntrans-68.3-42.1-179.1-65.7-159.5140.100113.3D265 H269 K270D265-E267 PolarHBondContact O-N 3.46Å; D265-E267 VanDerWaalsContact O-N 3.08Å; E267-H269 VanDerWaalsContact C-N 3.33Å; E267-K270 IonicContact OE1-NZ 2.87Å
268N50.9Low60.4Low97 Ų9777.6 Ų77.652%0.51941%0.406SS..G310 helixtrans-78.7-18.5177.8-66.6-28.6000113.3D265D265-N268 PolarHBondContact O-N 3.45Å; D265-N268 VanDerWaalsContact O-N 3.15Å; D265-N268 VanDerWaalsContact OD1-CB 3.22Å; D265-N268 WeakPolarHBondContact OD1-CB 3.43Å; D265-N268 PolarHBondContact OD1-N 3.15Å; D265-N268 PolarHBondContact OD1-ND2 2.98Å; D265-N268 WeakPolarHBondContact OD2-CB 3.14Å; D265-N268 PolarHBondContact OD2-ND2 2.95Å
269H57.2Low60.9Low4 Ų483 Ų832%0.01943%0.434CS..G310 helixtrans-89-1.5179-69.5-53.1000114.9F256 D265 E267 C271 C272F256-H269 HydrophobicContact CD1-CB 4.23Å; F256-H269 AromaticContact CD1-CD2 3.43Å; F256-H269 VanDerWaalsContact CD1-CD2 3.43Å; F256-H269 WeakPolarHBondContact CD1-CD2 3.38Å; F256-H269 AromaticContact CD1-CE1 3.23Å; F256-H269 WeakPolarHBondContact CD1-CE1 3.33Å; F256-H269 AromaticContact CD1-CG 3.41Å; F256-H269 VanDerWaalsContact CD1-CG 3.41Å; F256-H269 AromaticContact CD1-ND1 3.3Å; F256-H269 VanDerWaalsContact CD1-ND1 3.3Å; F256-H269 WeakPolarHBondContact CD1-ND1 3.48Å; F256-H269 AromaticContact CD1-NE2 3.32Å; F256-H269 VanDerWaalsContact CD1-NE2 3.32Å; F256-H269 WeakPolarHBondContact CD1-NE2 3.49Å; F256-H269 HydrophobicContact CD2-CB 4.16Å; F256-H269 AromaticContact CD2-CD2 3.63Å; F256-H269 AromaticContact CD2-CG 3.89Å; F256-H269 HydrophobicContact CE1-CB 3.71Å; F256-H269 AromaticContact CE1-CD2 3.83Å; F256-H269 AromaticContact CE1-CE1 3.66Å; F256-H269 AromaticContact CE1-CG 3.3Å; F256-H269 AromaticContact CE1-ND1 3.2Å; F256-H269 WeakPolarHBondContact CE1-ND1 3.37Å; F256-H269 HydrophobicContact CE2-CB 3.6Å; F256-H269 AromaticContact CE2-CD2 3.99Å; F256-H269 AromaticContact CE2-CG 3.78Å; F256-H269 HydrophobicContact CG-CB 4.45Å; F256-H269 AromaticContact CG-CD2 3.32Å; F256-H269 WeakPolarHBondContact CG-CD2 3.45Å; F256-H269 AromaticContact CG-CE1 3.86Å; F256-H269 AromaticContact CG-CG 3.71Å; F256-H269 AromaticContact CG-NE2 3.43Å; F256-H269 WeakPolarHBondContact CG-NE2 3.06Å; F256-H269 HydrophobicContact CZ-CB 3.33Å; F256-H269 AromaticContact CZ-CG 3.47Å; F256-H269 VanDerWaalsContact CZ-CG 3.47Å; F256-H269 AromaticContact CZ-ND1 3.84Å; D265-H269 PolarHBondContact O-CD2 3.24Å; D265-H269 PolarHBondContact O-N 2.73Å; E267-H269 VanDerWaalsContact C-N 3.33Å; H269-C271 PolarHBondContact O-N 3.38Å; H269-C272 PolarHBondContact O-N 3.3Å; H269-C272 VanDerWaalsContact O-N 3.08Å
270K52.6Low62.2Low130 Ų13082.6 Ų82.657%0.56543%0.433SS*.G310 helixtrans-54.6-19.9174.2-73177.5-176.81650113.8V266 E267 C272V266-K270 WeakPolarHBondContact O-CG 3.47Å; V266-K270 PolarHBondContact O-N 2.95Å; E267-K270 IonicContact OE1-NZ 2.87Å; K270-C272 VanDerWaalsContact C-N 3.27Å; K270-C272 PolarHBondContact O-N 3.25Å
271C55.4Low63.9Low94 Ų9479.2 Ų79.264%0.63542%0.418SS*.G310 helixtrans-64.3-29.7177.256.90000113H269 K273H269-C271 PolarHBondContact O-N 3.38Å; C271-K273 PolarHBondContact O-N 3.09Å
272C68.2Low66.2Low0 Ų073.2 Ų73.20%040%0.395CS..  trans-101.272.6-172-1590000111.1C248 H254 H269 K270 A274 V275 H276C248-C272 HydrophobicContact CB-CB 3.88Å; C248-C272 WeakPolarHBondContact CB-SG 3.43Å; C248-C272 WeakPolarHBondContact SG-CA 3.32Å; C248-C272 WeakPolarHBondContact SG-CB 3.43Å; C248-C272 CovalentContact SG-SG 2.05Å; C248-C272 PolarHBondContact SG-SG 2.74Å; H254-C272 PolarHBondContact CE1-SG 3.4Å; H254-C272 PolarHBondContact ND1-SG 3.42Å; H269-C272 PolarHBondContact O-N 3.3Å; H269-C272 VanDerWaalsContact O-N 3.08Å; K270-C272 VanDerWaalsContact C-N 3.27Å; K270-C272 PolarHBondContact O-N 3.25Å; C272-A274 PolarHBondContact O-N 2.98Å; C272-V275 HydrophobicContact CB-CG2 4.31Å; C272-V275 VanDerWaalsContact O-CG2 3.25Å; C272-V275 WeakPolarHBondContact O-CG2 3.23Å; C272-V275 PolarHBondContact O-N 3.19Å; C272-V275 VanDerWaalsContact O-N 3.09Å; C272-H276 PolarHBondContact O-CD2 3.01Å
273K70.3Confident68.6Low179 Ų17970.4 Ų70.478%0.77836%0.362SS*.G310 helixtrans-48.9-30.1177.3-70.9-175.5-177.7176.10113C271 V275 H276C271-K273 PolarHBondContact O-N 3.09Å; K273-V275 PolarHBondContact O-N 3.12Å; K273-H276 PolarHBondContact O-N 2.81Å; K273-H276 VanDerWaalsContact O-N 3.16Å
274A68.4Low71.1Confident32 Ų3262.2 Ų62.226%0.26433%0.332SS..G310 helixtrans-62.1-21.7-177.700000114.6R198 C272R198-A274 WeakPolarHBondContact CD-O 3.32Å; C272-A274 PolarHBondContact O-N 2.98Å
275V77.6Confident73.4Confident13 Ų1362.8 Ų62.88%0.07933%0.328CS..G310 helixtrans-97.65.3177.9-59.70000114.7H254 F256 C272 K273 V281H254-V275 HydrophobicContact CB-CG1 3.96Å; H254-V275 WeakPolarHBondContact CD2-CG1 3.2Å; F256-V275 HydrophobicContact CE1-CG2 4.36Å; F256-V275 HydrophobicContact CE2-CG2 4.04Å; F256-V275 HydrophobicContact CZ-CG2 3.45Å; F256-V275 VanDerWaalsContact CZ-CG2 3.45Å; C272-V275 HydrophobicContact CB-CG2 4.31Å; C272-V275 VanDerWaalsContact O-CG2 3.25Å; C272-V275 WeakPolarHBondContact O-CG2 3.23Å; C272-V275 PolarHBondContact O-N 3.19Å; C272-V275 VanDerWaalsContact O-N 3.09Å; K273-V275 PolarHBondContact O-N 3.12Å; V275-V281 HydrophobicContact CB-CG2 4.41Å
276H75.7Confident75.5Confident110 Ų11061.9 Ų61.951%0.50932%0.324SS..  trans-88.9-15.2179.7-71-86000113.8C272 K273 S278C272-H276 PolarHBondContact O-CD2 3.01Å; K273-H276 PolarHBondContact O-N 2.81Å; K273-H276 VanDerWaalsContact O-N 3.16Å; H276-S278 PolarHBondContact O-N 2.75Å
277N78.7Confident77.8Confident78 Ų7859.2 Ų59.242%0.41731%0.308SS..  trans-79.9107177.6-174.9-15.7000110.7N279 T280 V281N277-N279 PolarHBondContact O-N 2.64Å; N277-N279 VanDerWaalsContact O-N 3.09Å; N277-N279 WeakPolarHBondContact OD1-CB 3.25Å; N277-N279 PolarHBondContact OD1-N 2.92Å; N277-T280 PolarHBondContact O-N 2.96Å; N277-V281 WeakPolarHBondContact O-CB 3.46Å; N277-V281 WeakPolarHBondContact O-CG2 3.3Å; N277-V281 PolarHBondContact O-N 2.83Å
278S78.2Confident80.1Confident78 Ų7853.2 Ų53.255%0.54528%0.281SS..THydrogen-bonded Turntrans-62.6-17.2-17859.40000114.7H276 T307H276-S278 PolarHBondContact O-N 2.75Å; S278-T307 WeakPolarHBondContact O-CG2 3.43Å
279N86.7Confident82.1Confident124 Ų12450.8 Ų50.866%0.66327%0.267SS*.THydrogen-bonded Turntrans-89.4-26.9-177.3-65.5-15.2000113W190 N277W190-N279 WeakPolarHBondContact CZ2-O 3.29Å; N277-N279 PolarHBondContact O-N 2.64Å; N277-N279 VanDerWaalsContact O-N 3.09Å; N277-N279 WeakPolarHBondContact OD1-CB 3.25Å; N277-N279 PolarHBondContact OD1-N 2.92Å
280T92.4Very high83.8Confident30 Ų3052.4 Ų52.418%0.18427%0.273CS..THydrogen-bonded Turntrans-102-10.1179.158.20000112.8W190 E196 N197 R198 N277W190-T280 PolarHBondContact NE1-O 3.26Å; E196-T280 HydrophobicContact CB-CG2 4.42Å; N197-T280 CarbonylContact C-O 3.44Å; N197-T280 VanDerWaalsContact CA-O 3.24Å; N197-T280 WeakPolarHBondContact CA-O 3.43Å; N197-T280 PolarHBondContact OD1-O 2.65Å; R198-T280 PolarHBondContact N-O 3.18Å; N277-T280 PolarHBondContact O-N 2.96Å
281V95.3Very high85.9Confident6 Ų646.2 Ų46.24%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-105.5120.8-176.5-1800000111R198 L200 V275 N277 T307R198-V281 HydrophobicContact CB-CG2 4.37Å; R198-V281 WeakPolarHBondContact O-CA 3.18Å; L200-V281 HydrophobicContact CB-CG1 3.74Å; V275-V281 HydrophobicContact CB-CG2 4.41Å; N277-V281 WeakPolarHBondContact O-CB 3.46Å; N277-V281 WeakPolarHBondContact O-CG2 3.3Å; N277-V281 PolarHBondContact O-N 2.83Å; V281-T307 WeakPolarHBondContact O-CB 3.35Å
282L97.1Very high87.7Confident3 Ų342.6 Ų42.62%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-95118.6166.9174.961.4000109.8I186 W190 R198 I199 L200 L284 F303I186-L282 HydrophobicContact CG2-CD2 3.48Å; I186-L282 VanDerWaalsContact CG2-CD2 3.48Å; W190-L282 HydrophobicContact CB-CB 4.32Å; W190-L282 HydrophobicContact CB-CD2 3.59Å; W190-L282 HydrophobicContact CD2-CB 3.58Å; W190-L282 HydrophobicContact CD2-CD2 4.04Å; W190-L282 HydrophobicContact CD2-CG 4.4Å; W190-L282 HydrophobicContact CE3-CB 4.22Å; W190-L282 HydrophobicContact CE3-CD2 4.25Å; W190-L282 HydrophobicContact CG-CB 3.57Å; W190-L282 HydrophobicContact CG-CD2 3.74Å; W190-L282 HydrophobicContact CG-CG 4.32Å; W190-L282 HydrophobicContact CZ2-CB 4.34Å; R198-L282 PolarHBondContact O-N 3.4Å; I199-L282 WeakPolarHBondContact CA-O 3.48Å; I199-L282 HydrophobicContact CD1-CB 4Å; I199-L282 HydrophobicContact CD1-CD2 4.18Å; I199-L282 HydrophobicContact CD1-CG 4.4Å; L200-L282 PolarHBondContact N-O 3.45Å; L282-L284 HydrophobicContact CD2-CD2 4.34Å; L282-L284 HydrophobicContact CG-CD2 4.21Å; L282-F303 HydrophobicContact CD1-CE1 4.29Å
283T96.3Very high88.9Confident20 Ų2046.3 Ų46.312%0.12325%0.253CS..EExtended strand (participates in β ladder)trans-89.5121.2176.1-560000110.7L200 K202 R285 T307 V308 C309L200-T283 CarbonylContact O-C 3.57Å; L200-T283 VanDerWaalsContact O-CA 3.25Å; L200-T283 WeakPolarHBondContact O-CA 3.38Å; K202-T283 HydrophobicContact CB-CG2 3.83Å; T283-R285 HydrophobicContact CG2-CG 4.08Å; T283-T307 PolarHBondContact N-O 3.17Å; T283-V308 WeakPolarHBondContact O-CA 3.21Å; T283-C309 PolarHBondContact O-N 3.42Å
284L98Very high90Very high1 Ų144.2 Ų44.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-99.1129.2168.1-55.3-177.2000109.8A183 I186 A187 I199 L200 L201 K202 L282 P286 C309A183-L284 HydrophobicContact CB-CD1 4.23Å; I186-L284 HydrophobicContact CG2-CD2 3.81Å; A187-L284 HydrophobicContact CB-CD1 4.41Å; I199-L284 HydrophobicContact CG2-CD1 3.97Å; I199-L284 HydrophobicContact CG2-CG 4.11Å; L200-L284 PolarHBondContact O-N 2.82Å; L201-L284 WeakPolarHBondContact CA-O 3.46Å; L201-L284 HydrophobicContact CD2-CB 3.81Å; L201-L284 HydrophobicContact CD2-CD1 3.92Å; L201-L284 HydrophobicContact CD2-CG 4.3Å; K202-L284 PolarHBondContact N-O 2.96Å; L282-L284 HydrophobicContact CD2-CD2 4.34Å; L282-L284 HydrophobicContact CG-CD2 4.21Å; L284-P286 WeakPolarHBondContact O-CD 3.44Å; L284-C309 CarbonylContact C-O 3.55Å; L284-C309 VanDerWaalsContact CA-O 3.31Å; L284-C309 WeakPolarHBondContact CA-O 3.44Å; L284-C309 HydrophobicContact CD2-CB 3.78Å
285R96.7Very high91.1Very high85 Ų8549.3 Ų49.332%0.32126%0.257SS..EExtended strand (participates in β ladder)trans-115.289.6179.3-70.7-179176.6178.5-1.5110.4K202 T283 S287 C309 H310 I311K202-R285 HydrophobicContact CB-CG 4.16Å; T283-R285 HydrophobicContact CG2-CG 4.08Å; R285-S287 PolarHBondContact O-N 3.34Å; R285-C309 PolarHBondContact N-O 3.13Å; R285-H310 VanDerWaalsContact CD-CE1 3.47Å; R285-H310 WeakPolarHBondContact CD-CE1 3.46Å; R285-H310 WeakPolarHBondContact O-CA 3.5Å; R285-I311 PolarHBondContact O-N 3.06Å
286P96.8Very high91.6Very high2 Ų251.2 Ų51.21%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-70.4107.3173.928.7-33.1000110Y209 L212 L284 I311 Y313Y209-P286 HydrophobicContact CD1-CB 4.37Å; Y209-P286 HydrophobicContact CD1-CG 3.9Å; Y209-P286 HydrophobicContact CE1-CB 4.08Å; Y209-P286 HydrophobicContact CE1-CG 3.66Å; L212-P286 HydrophobicContact CD2-CB 3.79Å; L212-P286 HydrophobicContact CD2-CG 3.83Å; L284-P286 WeakPolarHBondContact O-CD 3.44Å; P286-I311 WeakPolarHBondContact CA-O 3.23Å; P286-Y313 HydrophobicContact CB-CD1 4.37Å; P286-Y313 HydrophobicContact CB-CG 4.27Å
287S94.2Very high92.4Very high18 Ų1846.8 Ų46.813%0.12625%0.247CC..  trans-161.4105.7-179.4-177.70000112.8R285 M289 W290 F291 I311R285-S287 PolarHBondContact O-N 3.34Å; S287-M289 VanDerWaalsContact C-N 3.28Å; S287-M289 PolarHBondContact O-N 3.42Å; S287-W290 PolarHBondContact O-N 3.16Å; S287-W290 PolarHBondContact OG-N 3.1Å; S287-F291 VanDerWaalsContact O-CD2 3.24Å; S287-F291 WeakPolarHBondContact O-CD2 3.49Å; S287-I311 PolarHBondContact N-O 3.35Å
288V95.1Very high93Very high13 Ų1352.8 Ų52.88%0.07927%0.269CS..Hα-helixtrans-59.3-36.9169.355.50000112.8F165 F173 W290 F291 A292 L312 Y313F165-V288 HydrophobicContact CE1-CG1 4.38Å; F165-V288 HydrophobicContact CE1-CG2 4.01Å; F165-V288 HydrophobicContact CE2-CG1 3.69Å; F165-V288 HydrophobicContact CE2-CG2 4.1Å; F165-V288 HydrophobicContact CZ-CB 4.22Å; F165-V288 HydrophobicContact CZ-CG1 3.44Å; F165-V288 VanDerWaalsContact CZ-CG1 3.44Å; F165-V288 HydrophobicContact CZ-CG2 3.8Å; F173-V288 HydrophobicContact CD1-CG2 4.15Å; F173-V288 HydrophobicContact CD2-CG2 4.33Å; F173-V288 HydrophobicContact CE1-CG2 3.65Å; F173-V288 HydrophobicContact CE2-CG2 3.86Å; F173-V288 HydrophobicContact CG-CG2 4.47Å; F173-V288 HydrophobicContact CZ-CG2 3.48Å; F173-V288 VanDerWaalsContact CZ-CG2 3.48Å; V288-W290 VanDerWaalsContact C-N 3.26Å; V288-W290 PolarHBondContact O-N 3.35Å; V288-F291 PolarHBondContact O-N 3.16Å; V288-F291 VanDerWaalsContact O-N 3.12Å; V288-A292 WeakPolarHBondContact O-CB 3.41Å; V288-A292 PolarHBondContact O-N 2.88Å; V288-L312 HydrophobicContact CB-CD2 4.27Å; V288-L312 HydrophobicContact CG2-CD2 4.16Å; V288-Y313 WeakPolarHBondContact CB-O 3.34Å; V288-Y313 PolarHBondContact N-O 3.08Å; V288-Y313 VanDerWaalsContact N-O 3.12Å
289M93.2Very high93.7Very high47 Ų4750.8 Ų50.823%0.23226%0.255CS..Hα-helixtrans-60.9-34.9-178.8-169.861.665.600112.3T164 F165 S287 F291 A293 N341T164-M289 HydrophobicContact CG2-CE 4.43Å; F165-M289 HydrophobicContact CE1-CE 3.94Å; F165-M289 HydrophobicContact CE1-SD 4.36Å; F165-M289 HydrophobicContact CZ-CE 3.88Å; S287-M289 VanDerWaalsContact C-N 3.28Å; S287-M289 PolarHBondContact O-N 3.42Å; M289-F291 PolarHBondContact O-N 3Å; M289-A293 VanDerWaalsContact O-CB 3.31Å; M289-A293 WeakPolarHBondContact O-CB 3.32Å; M289-A293 PolarHBondContact O-N 3.35Å; M289-N341 PolarHBondContact SD-ND2 2.77Å
290W94.1Very high94.2Very high38 Ų3846.7 Ų46.714%0.14424%0.235CC..Hα-helixtrans-63-41.1177.4-17595.7000112.4S287 V288 R294 Y302 T304 H310S287-W290 PolarHBondContact O-N 3.16Å; S287-W290 PolarHBondContact OG-N 3.1Å; V288-W290 VanDerWaalsContact C-N 3.26Å; V288-W290 PolarHBondContact O-N 3.35Å; W290-R294 VanDerWaalsContact CD1-NH1 3.25Å; W290-R294 VanDerWaalsContact CE2-NE 3.34Å; W290-R294 VanDerWaalsContact CZ2-NE 3.29Å; W290-R294 WeakPolarHBondContact O-CD 3.39Å; W290-R294 PolarHBondContact O-NH1 2.8Å; W290-Y302 AromaticContact CH2-CD1 3.39Å; W290-Y302 HydrophobicContact CH2-CD1 3.39Å; W290-Y302 AromaticContact CH2-CE1 3.88Å; W290-Y302 HydrophobicContact CH2-CE1 3.88Å; W290-Y302 AromaticContact CH2-CG 3.86Å; W290-Y302 HydrophobicContact CH2-CG 3.86Å; W290-Y302 HydrophobicContact CZ2-CD1 4.25Å; W290-Y302 HydrophobicContact CZ3-CD1 4.09Å; W290-Y302 HydrophobicContact CZ3-CG 4.12Å; W290-T304 HydrophobicContact CH2-CG2 4.23Å; W290-T304 HydrophobicContact CZ2-CG2 3.68Å; W290-H310 AromaticContact CD1-CE1 3.23Å; W290-H310 AromaticContact CD1-ND1 3.48Å; W290-H310 HydrophobicContact CD2-CB 4.21Å; W290-H310 AromaticContact CD2-CE1 3.73Å; W290-H310 AromaticContact CD2-CG 3.68Å; W290-H310 AromaticContact CD2-ND1 3.33Å; W290-H310 VanDerWaalsContact CD2-ND1 3.33Å; W290-H310 AromaticContact CE2-CD2 3.82Å; W290-H310 AromaticContact CE2-CE1 3.46Å; W290-H310 VanDerWaalsContact CE2-CE1 3.46Å; W290-H310 AromaticContact CE2-CG 3.73Å; W290-H310 AromaticContact CE2-ND1 3.51Å; W290-H310 AromaticContact CE2-NE2 3.67Å; W290-H310 HydrophobicContact CE3-CB 3.93Å; W290-H310 AromaticContact CE3-CG 3.9Å; W290-H310 AromaticContact CE3-ND1 3.94Å; W290-H310 AromaticContact CG-CE1 3.62Å; W290-H310 AromaticContact CG-ND1 3.34Å; W290-H310 VanDerWaalsContact CG-ND1 3.34Å; W290-H310 AromaticContact CZ2-CD2 3.86Å; W290-H310 AromaticContact CZ2-NE2 4Å; W290-H310 HydrophobicContact CZ3-CB 4.11Å; W290-H310 AromaticContact NE1-CE1 3.09Å; W290-H310 PolarHBondContact NE1-CE1 3.12Å; W290-H310 AromaticContact NE1-ND1 3.54Å; W290-H310 AromaticContact NE1-NE2 3.5Å
291F95.7Very high94.4Very high0 Ų049.7 Ų49.70%025%0.245CC..Hα-helixtrans-75.1-42.3177.8-69.2-92.4000111.6S287 V288 M289 R294 K295 N296 H310 L312S287-F291 VanDerWaalsContact O-CD2 3.24Å; S287-F291 WeakPolarHBondContact O-CD2 3.49Å; V288-F291 PolarHBondContact O-N 3.16Å; V288-F291 VanDerWaalsContact O-N 3.12Å; M289-F291 PolarHBondContact O-N 3Å; F291-R294 CarbonylContact O-C 3.52Å; F291-R294 PolarHBondContact O-N 3.36Å; F291-R294 VanDerWaalsContact O-N 3.09Å; F291-K295 PolarHBondContact O-N 2.76Å; F291-N296 WeakPolarHBondContact CB-O 3.33Å; F291-N296 WeakPolarHBondContact CD1-O 3.43Å; F291-N296 PolarHBondContact O-N 3.05Å; F291-H310 HydrophobicContact CE2-CB 3.78Å; F291-H310 HydrophobicContact CZ-CB 3.67Å; F291-L312 HydrophobicContact CB-CD1 4.25Å; F291-L312 HydrophobicContact CB-CG 4.2Å; F291-L312 HydrophobicContact CD1-CB 4.37Å; F291-L312 HydrophobicContact CD1-CD1 4.41Å; F291-L312 HydrophobicContact CD1-CG 4.49Å; F291-L312 HydrophobicContact CD2-CB 3.78Å; F291-L312 HydrophobicContact CD2-CG 3.89Å; F291-L312 HydrophobicContact CE1-CB 4.32Å; F291-L312 HydrophobicContact CE2-CB 3.78Å; F291-L312 HydrophobicContact CE2-CG 4.41Å; F291-L312 HydrophobicContact CG-CB 4.11Å; F291-L312 HydrophobicContact CG-CD1 4.18Å; F291-L312 HydrophobicContact CG-CG 3.95Å; F291-L312 HydrophobicContact CZ-CB 4.03Å
292A93.5Very high94.5Very high18 Ų1854.6 Ų54.615%0.14926%0.264CS..Hα-helixtrans-60.2-46.4178.200000111.9F165 T170 V288 R294 K295F165-A292 HydrophobicContact CD1-CB 4.16Å; F165-A292 HydrophobicContact CE1-CB 3.87Å; T170-A292 HydrophobicContact CG2-CB 3.74Å; V288-A292 WeakPolarHBondContact O-CB 3.41Å; V288-A292 PolarHBondContact O-N 2.88Å; A292-R294 PolarHBondContact O-N 3.49Å; A292-R294 VanDerWaalsContact O-N 3.12Å; A292-K295 PolarHBondContact O-N 3.1Å
293A92.2Very high94.5Very high77 Ų7758.9 Ų58.964%0.63628%0.283SS*.THydrogen-bonded Turntrans-61-22.5176.400000113.5M289M289-A293 VanDerWaalsContact O-CB 3.31Å; M289-A293 WeakPolarHBondContact O-CB 3.32Å; M289-A293 PolarHBondContact O-N 3.35Å
294R93.3Very high94.5Very high136 Ų13661.4 Ų61.451%0.51330%0.298SS..THydrogen-bonded Turntrans-100.94.6177.9-71165.9177.571.55.2112.9W290 F291 A292 N296W290-R294 VanDerWaalsContact CD1-NH1 3.25Å; W290-R294 VanDerWaalsContact CE2-NE 3.34Å; W290-R294 VanDerWaalsContact CZ2-NE 3.29Å; W290-R294 WeakPolarHBondContact O-CD 3.39Å; W290-R294 PolarHBondContact O-NH1 2.8Å; F291-R294 CarbonylContact O-C 3.52Å; F291-R294 PolarHBondContact O-N 3.36Å; F291-R294 VanDerWaalsContact O-N 3.09Å; A292-R294 PolarHBondContact O-N 3.49Å; A292-R294 VanDerWaalsContact O-N 3.12Å; R294-N296 HydrophobicContact CB-CB 4.41Å; R294-N296 PolarHBondContact O-N 3.31Å; R294-N296 VanDerWaalsContact O-N 3.09Å
295K91.4Very high94.4Very high139 Ų13963.9 Ų63.960%0.60432%0.315SS*.THydrogen-bonded Turntrans52.230.9-177.2-56.8176.4169.4-1640112.8H169 F291 A292H169-K295 HydrophobicContact CB-CB 4.07Å; H169-K295 HydrophobicContact CB-CG 4.2Å; H169-K295 VanDerWaalsContact CD2-CD 3.44Å; H169-K295 WeakPolarHBondContact CD2-CD 3.48Å; H169-K295 VanDerWaalsContact CD2-CE 3.48Å; H169-K295 WeakPolarHBondContact CD2-CE 3.31Å; H169-K295 VanDerWaalsContact CD2-CG 3.5Å; H169-K295 WeakPolarHBondContact CD2-CG 3.48Å; H169-K295 WeakPolarHBondContact NE2-CD 3.46Å; H169-K295 WeakPolarHBondContact NE2-CE 3.46Å; H169-K295 PolarHBondContact NE2-NZ 2.97Å; F291-K295 PolarHBondContact O-N 2.76Å; A292-K295 PolarHBondContact O-N 3.1Å
296N89.4Confident94.2Very high52 Ų5268.1 Ų68.128%0.27834%0.339SS..  trans-12166.7-174.4-174.712.8000110.6F291 R294 C299F291-N296 WeakPolarHBondContact CB-O 3.33Å; F291-N296 WeakPolarHBondContact CD1-O 3.43Å; F291-N296 PolarHBondContact O-N 3.05Å; R294-N296 HydrophobicContact CB-CB 4.41Å; R294-N296 PolarHBondContact O-N 3.31Å; R294-N296 VanDerWaalsContact O-N 3.09Å; N296-C299 PolarHBondContact OD1-SG 3.5Å
297T91.7Very high94.2Very high17 Ų1769.6 Ų69.610%0.10435%0.347CS..  trans-951-17650.10000113.3H169 T170 F173 L312H169-T297 WeakPolarHBondContact O-CB 2.79Å; H169-T297 VanDerWaalsContact O-CG2 3.24Å; H169-T297 WeakPolarHBondContact O-CG2 3.39Å; H169-T297 PolarHBondContact O-OG1 3.47Å; T170-T297 HydrophobicContact CG2-CG2 4.04Å; F173-T297 HydrophobicContact CD1-CG2 4.43Å; F173-T297 HydrophobicContact CE1-CG2 3.91Å; T297-L312 VanDerWaalsContact O-CD1 3.29Å; T297-L312 WeakPolarHBondContact O-CD1 3.25Å
298K90.7Very high94.3Very high204 Ų20469.8 Ų69.889%0.88735%0.348SS*.SBendtrans-78.7-26.1-178.7-64.9-173178-176.10113.5
299C93.2Very high94.4Very high36 Ų3669.2 Ų69.224%0.24334%0.344CS..  trans-100.4136.6179.262.10000111.7N296 K301 L312N296-C299 PolarHBondContact OD1-SG 3.5Å; C299-K301 VanDerWaalsContact C-N 3.29Å; C299-L312 WeakPolarHBondContact O-CD1 3.42Å
300V97.2Very high94.6Very high39 Ų3967.2 Ų67.224%0.23633%0.334CS..SBendtrans-74-24176.8-173.60000111.9P174 A179 A182 I311 L312P174-V300 HydrophobicContact CB-CG1 4.26Å; P174-V300 HydrophobicContact CB-CG2 3.84Å; P174-V300 HydrophobicContact CG-CB 4.5Å; P174-V300 HydrophobicContact CG-CG1 4.19Å; P174-V300 HydrophobicContact CG-CG2 4.08Å; A179-V300 HydrophobicContact CB-CG1 4.44Å; A182-V300 HydrophobicContact CB-CG1 3.77Å; V300-I311 WeakPolarHBondContact O-CA 3.47Å; V300-L312 PolarHBondContact O-N 3.01Å
301K97.1Very high94.8Very high92 Ų9265.5 Ų65.540%0.433%0.328SS..EExtended strand (participates in β ladder)trans-142.3150.3-177.865.6179.5-178.8178.90112I186 C299 F303 H310 I311I186-K301 HydrophobicContact CD1-CB 4.17Å; I186-K301 HydrophobicContact CD1-CD 3.44Å; I186-K301 VanDerWaalsContact CD1-CD 3.44Å; I186-K301 HydrophobicContact CD1-CG 4.43Å; I186-K301 HydrophobicContact CG1-CD 4.17Å; C299-K301 VanDerWaalsContact C-N 3.29Å; K301-F303 HydrophobicContact CD-CE2 4.49Å; K301-H310 CarbonylContact C-O 3.58Å; K301-H310 WeakPolarHBondContact CA-O 3.21Å; K301-I311 HydrophobicContact CB-CD1 3.95Å
302Y97.7Very high95Very high110 Ų11065.5 Ų65.543%0.43133%0.328SS..EExtended strand (participates in β ladder)trans-148.1125.6175.4-173.6-83.2000111.2W290 T304 C309 H310W290-Y302 AromaticContact CH2-CD1 3.39Å; W290-Y302 HydrophobicContact CH2-CD1 3.39Å; W290-Y302 AromaticContact CH2-CE1 3.88Å; W290-Y302 HydrophobicContact CH2-CE1 3.88Å; W290-Y302 AromaticContact CH2-CG 3.86Å; W290-Y302 HydrophobicContact CH2-CG 3.86Å; W290-Y302 HydrophobicContact CZ2-CD1 4.25Å; W290-Y302 HydrophobicContact CZ3-CD1 4.09Å; W290-Y302 HydrophobicContact CZ3-CG 4.12Å; Y302-T304 HydrophobicContact CD1-CG2 3.95Å; Y302-T304 HydrophobicContact CE1-CG2 3.89Å; Y302-C309 CarbonylContact O-C 3.52Å; Y302-H310 PolarHBondContact N-O 2.97Å; Y302-H310 PolarHBondContact O-N 3.2Å
303F97.4Very high95.2Very high93 Ų9365.1 Ų65.141%0.40832%0.323SS..EExtended strand (participates in β ladder)trans-90123175.7-75.1-94.4000110.4I186 L282 K301 S305 V308 C309I186-F303 HydrophobicContact CD1-CE2 4.38Å; I186-F303 HydrophobicContact CD1-CZ 4.26Å; I186-F303 HydrophobicContact CG1-CZ 4.37Å; I186-F303 HydrophobicContact CG2-CZ 3.99Å; L282-F303 HydrophobicContact CD1-CE1 4.29Å; K301-F303 HydrophobicContact CD-CE2 4.49Å; F303-S305 WeakPolarHBondContact CD1-O 3.23Å; F303-V308 WeakPolarHBondContact CA-O 3.08Å; F303-C309 HydrophobicContact CD1-CB 3.74Å; F303-C309 HydrophobicContact CE1-CB 3.57Å; F303-C309 HydrophobicContact CE2-CB 4.37Å; F303-C309 VanDerWaalsContact CE2-SG 3.55Å; F303-C309 HydrophobicContact CG-CB 4.24Å; F303-C309 HydrophobicContact CZ-CB 3.9Å
304T95.8Very high95.4Very high72 Ų7261.5 Ų61.544%0.44229%0.293SS..EExtended strand (participates in β ladder)trans-92.4-16.9170.651.60000112.2W290 Y302 V308W290-T304 HydrophobicContact CH2-CG2 4.23Å; W290-T304 HydrophobicContact CZ2-CG2 3.68Å; Y302-T304 HydrophobicContact CD1-CG2 3.95Å; Y302-T304 HydrophobicContact CE1-CG2 3.89Å; T304-V308 PolarHBondContact N-O 2.68Å; T304-V308 WeakPolarHBondContact OG1-CG1 3.45Å; T304-V308 PolarHBondContact OG1-O 2.7Å
305S95.5Very high95.6Very high53 Ų5355.8 Ų55.837%0.37127%0.273SS..EExtended strand (participates in β ladder)trans-154.2178.4169.874.10000109.1F303 T307 V308F303-S305 WeakPolarHBondContact CD1-O 3.23Å; S305-T307 PolarHBondContact O-N 2.95Å; S305-T307 PolarHBondContact OG-N 3.24Å; S305-V308 PolarHBondContact N-O 2.77Å; S305-V308 WeakPolarHBondContact OG-CB 3.42Å; S305-V308 WeakPolarHBondContact OG-CG2 3.25Å; S305-V308 PolarHBondContact OG-N 3.2Å
306Q93.8Very high95.9Very high175 Ų17550.4 Ų50.482%0.81825%0.25SC*.THydrogen-bonded Turntrans-61.8-22.5174.1-64.1-177.38.800113.2
307T95.4Very high96.3Very high32 Ų3248.1 Ų48.120%0.19624%0.238CC..THydrogen-bonded Turntrans-121.68.8-172.758.70000113.5W190 S278 V281 T283 S305W190-T307 HydrophobicContact CH2-CG2 3.85Å; W190-T307 HydrophobicContact CZ2-CG2 4.4Å; S278-T307 WeakPolarHBondContact O-CG2 3.43Å; V281-T307 WeakPolarHBondContact O-CB 3.35Å; T283-T307 PolarHBondContact N-O 3.17Å; S305-T307 PolarHBondContact O-N 2.95Å; S305-T307 PolarHBondContact OG-N 3.24Å
308V96.5Very high96.5Very high23 Ų2347.5 Ų47.514%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-134116.3175-176.60000110.2T283 F303 T304 S305T283-V308 WeakPolarHBondContact O-CA 3.21Å; F303-V308 WeakPolarHBondContact CA-O 3.08Å; T304-V308 PolarHBondContact N-O 2.68Å; T304-V308 WeakPolarHBondContact OG1-CG1 3.45Å; T304-V308 PolarHBondContact OG1-O 2.7Å; S305-V308 PolarHBondContact N-O 2.77Å; S305-V308 WeakPolarHBondContact OG-CB 3.42Å; S305-V308 WeakPolarHBondContact OG-CG2 3.25Å; S305-V308 PolarHBondContact OG-N 3.2Å
309C98Very high96.9Very high0 Ų038.1 Ų38.10%019%0.193CC..EExtended strand (participates in β ladder)trans-119.8129.1176.1-166.10000110.6T283 L284 R285 Y302 F303T283-C309 PolarHBondContact O-N 3.42Å; L284-C309 CarbonylContact C-O 3.55Å; L284-C309 VanDerWaalsContact CA-O 3.31Å; L284-C309 WeakPolarHBondContact CA-O 3.44Å; L284-C309 HydrophobicContact CD2-CB 3.78Å; R285-C309 PolarHBondContact N-O 3.13Å; Y302-C309 CarbonylContact O-C 3.52Å; F303-C309 HydrophobicContact CD1-CB 3.74Å; F303-C309 HydrophobicContact CE1-CB 3.57Å; F303-C309 HydrophobicContact CE2-CB 4.37Å; F303-C309 VanDerWaalsContact CE2-SG 3.55Å; F303-C309 HydrophobicContact CG-CB 4.24Å; F303-C309 HydrophobicContact CZ-CB 3.9Å
310H97.9Very high97.1Very high5 Ų538.9 Ų38.92%0.02320%0.195CC..EExtended strand (participates in β ladder)trans-87.6137.6168.8-71.4-96.3000109.4R285 W290 F291 K301 Y302R285-H310 VanDerWaalsContact CD-CE1 3.47Å; R285-H310 WeakPolarHBondContact CD-CE1 3.46Å; R285-H310 WeakPolarHBondContact O-CA 3.5Å; W290-H310 AromaticContact CD1-CE1 3.23Å; W290-H310 AromaticContact CD1-ND1 3.48Å; W290-H310 HydrophobicContact CD2-CB 4.21Å; W290-H310 AromaticContact CD2-CE1 3.73Å; W290-H310 AromaticContact CD2-CG 3.68Å; W290-H310 AromaticContact CD2-ND1 3.33Å; W290-H310 VanDerWaalsContact CD2-ND1 3.33Å; W290-H310 AromaticContact CE2-CD2 3.82Å; W290-H310 AromaticContact CE2-CE1 3.46Å; W290-H310 VanDerWaalsContact CE2-CE1 3.46Å; W290-H310 AromaticContact CE2-CG 3.73Å; W290-H310 AromaticContact CE2-ND1 3.51Å; W290-H310 AromaticContact CE2-NE2 3.67Å; W290-H310 HydrophobicContact CE3-CB 3.93Å; W290-H310 AromaticContact CE3-CG 3.9Å; W290-H310 AromaticContact CE3-ND1 3.94Å; W290-H310 AromaticContact CG-CE1 3.62Å; W290-H310 AromaticContact CG-ND1 3.34Å; W290-H310 VanDerWaalsContact CG-ND1 3.34Å; W290-H310 AromaticContact CZ2-CD2 3.86Å; W290-H310 AromaticContact CZ2-NE2 4Å; W290-H310 HydrophobicContact CZ3-CB 4.11Å; W290-H310 AromaticContact NE1-CE1 3.09Å; W290-H310 PolarHBondContact NE1-CE1 3.12Å; W290-H310 AromaticContact NE1-ND1 3.54Å; W290-H310 AromaticContact NE1-NE2 3.5Å; F291-H310 HydrophobicContact CE2-CB 3.78Å; F291-H310 HydrophobicContact CZ-CB 3.67Å; K301-H310 CarbonylContact C-O 3.58Å; K301-H310 WeakPolarHBondContact CA-O 3.21Å; Y302-H310 PolarHBondContact N-O 2.97Å; Y302-H310 PolarHBondContact O-N 3.2Å
311I98.3Very high97.2Very high3 Ų340 Ų402%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-117.1126.6175.3-54-63000108.1A179 A183 I186 R285 P286 S287 V300 K301 Y313A179-I311 HydrophobicContact CB-CG2 4.1Å; A183-I311 HydrophobicContact CB-CD1 4.4Å; A183-I311 HydrophobicContact CB-CG1 4.24Å; A183-I311 HydrophobicContact CB-CG2 4.47Å; I186-I311 HydrophobicContact CD1-CD1 3.75Å; R285-I311 PolarHBondContact O-N 3.06Å; P286-I311 WeakPolarHBondContact CA-O 3.23Å; S287-I311 PolarHBondContact N-O 3.35Å; V300-I311 WeakPolarHBondContact O-CA 3.47Å; K301-I311 HydrophobicContact CB-CD1 3.95Å; I311-Y313 VanDerWaalsContact C-N 3.3Å; I311-Y313 PolarHBondContact O-N 2.88Å
312L97.9Very high97.2Very high0 Ų035.7 Ų35.70%018%0.179CC..  trans-75.190.4174.6-160.5176.9000107.4F173 P174 A179 V288 F291 T297 C299 V300F173-L312 HydrophobicContact CB-CD2 4.23Å; F173-L312 HydrophobicContact CD1-CD2 4.07Å; F173-L312 HydrophobicContact CG-CD2 4.29Å; P174-L312 HydrophobicContact CG-CB 4.1Å; P174-L312 HydrophobicContact CG-CD1 4.28Å; P174-L312 HydrophobicContact CG-CD2 3.78Å; P174-L312 HydrophobicContact CG-CG 4.24Å; P174-L312 WeakPolarHBondContact CG-O 3.42Å; A179-L312 WeakPolarHBondContact CB-O 3.36Å; V288-L312 HydrophobicContact CB-CD2 4.27Å; V288-L312 HydrophobicContact CG2-CD2 4.16Å; F291-L312 HydrophobicContact CB-CD1 4.25Å; F291-L312 HydrophobicContact CB-CG 4.2Å; F291-L312 HydrophobicContact CD1-CB 4.37Å; F291-L312 HydrophobicContact CD1-CD1 4.41Å; F291-L312 HydrophobicContact CD1-CG 4.49Å; F291-L312 HydrophobicContact CD2-CB 3.78Å; F291-L312 HydrophobicContact CD2-CG 3.89Å; F291-L312 HydrophobicContact CE1-CB 4.32Å; F291-L312 HydrophobicContact CE2-CB 3.78Å; F291-L312 HydrophobicContact CE2-CG 4.41Å; F291-L312 HydrophobicContact CG-CB 4.11Å; F291-L312 HydrophobicContact CG-CD1 4.18Å; F291-L312 HydrophobicContact CG-CG 3.95Å; F291-L312 HydrophobicContact CZ-CB 4.03Å; T297-L312 VanDerWaalsContact O-CD1 3.29Å; T297-L312 WeakPolarHBondContact O-CD1 3.25Å; C299-L312 WeakPolarHBondContact O-CD1 3.42Å; V300-L312 PolarHBondContact O-N 3.01Å
313Y97.7Very high97.3Very high9 Ų931.5 Ų31.54%0.03517%0.165CC..  trans-116.9120176.5-175.8-95.8000108R176 A179 Y209 F211 L212 P286 V288 I311R176-Y313 HydrophobicContact CB-CE2 4.2Å; R176-Y313 HydrophobicContact CG-CE2 4.33Å; A179-Y313 HydrophobicContact CB-CD2 3.82Å; Y209-Y313 HydrophobicContact CD1-CE1 4.44Å; F211-Y313 HydrophobicContact CD1-CE2 4.45Å; L212-Y313 HydrophobicContact CB-CE2 4.03Å; P286-Y313 HydrophobicContact CB-CD1 4.37Å; P286-Y313 HydrophobicContact CB-CG 4.27Å; V288-Y313 WeakPolarHBondContact CB-O 3.34Å; V288-Y313 PolarHBondContact N-O 3.08Å; V288-Y313 VanDerWaalsContact N-O 3.12Å; I311-Y313 VanDerWaalsContact C-N 3.3Å; I311-Y313 PolarHBondContact O-N 2.88Å
314S97.4Very high97.3Very high1 Ų128.8 Ų28.81%0.00716%0.16CC..  trans-124.9132.7-179.6-167.90000111.1R135 H316R135-S314 WeakPolarHBondContact CD-O 3.48Å; R135-S314 PolarHBondContact NH1-O 2.82Å; S314-H316 PolarHBondContact OG-N 2.8Å; S314-H316 VanDerWaalsContact OG-N 3.12Å; S314-H316 PolarHBondContact OG-O 3.28Å
315N97Very high97.4Very high16 Ų1625.5 Ų25.59%0.08614%0.14CC..SBendtrans-107.614.9164.8-72-25.3000112.6H112 E134 R135 R176 G208H112-N315 PolarHBondContact ND1-O 2.88Å; H112-N315 WeakPolarHBondContact O-CB 3.29Å; H112-N315 PolarHBondContact O-ND2 3Å; E134-N315 CarbonylContact C-O 3.58Å; R135-N315 VanDerWaalsContact CB-C 3.47Å; R135-N315 VanDerWaalsContact CB-O 3.29Å; R135-N315 WeakPolarHBondContact CB-O 3.34Å; R176-N315 PolarHBondContact NE-OD1 2.79Å; G208-N315 PolarHBondContact O-ND2 3.44Å
316H97.3Very high97.6Very high26 Ų2623 Ų2312%0.1212%0.122CC..SBendtrans-114.1147167.5-62-104.7000108.9H112 D133 E134 R135 D162 F165 S314H112-H316 AromaticContact CE1-CD2 3.87Å; H112-H316 AromaticContact CE1-CE1 3.74Å; H112-H316 AromaticContact CE1-NE2 3.4Å; H112-H316 PolarHBondContact CE1-NE2 2.76Å; H112-H316 AromaticContact ND1-NE2 3.92Å; D133-H316 IonicContact OD1-CE1 3.81Å; D133-H316 IonicContact OD2-CE1 3.83Å; D133-H316 PolarHBondContact OD2-CE1 3.26Å; D133-H316 IonicContact OD2-NE2 2.72Å; E134-H316 CarbonylContact O-C 3.6Å; E134-H316 VanDerWaalsContact O-CA 3.23Å; E134-H316 WeakPolarHBondContact O-CA 3.24Å; R135-H316 WeakPolarHBondContact CD-O 3.47Å; D162-H316 IonicContact OD1-ND1 3.77Å; D162-H316 IonicContact OD2-CE1 3.53Å; D162-H316 IonicContact OD2-CG 3.84Å; D162-H316 IonicContact OD2-ND1 3.79Å; D162-H316 PolarHBondContact OD2-ND1 2.89Å; F165-H316 HydrophobicContact CD2-CB 3.47Å; F165-H316 VanDerWaalsContact CD2-CB 3.47Å; F165-H316 HydrophobicContact CE2-CB 3.57Å; F165-H316 AromaticContact CE2-CD2 3.78Å; F165-H316 AromaticContact CE2-CG 3.75Å; S314-H316 PolarHBondContact OG-N 2.8Å; S314-H316 VanDerWaalsContact OG-N 3.12Å; S314-H316 PolarHBondContact OG-O 3.28Å
317S98Very high97.8Very high4 Ų416.9 Ų16.93%0.02810%0.098CC..  trans-59.7138.8171.2-71.80000111.3E134 E321E134-S317 VanDerWaalsContact CD-OG 3.28Å; E134-S317 PolarHBondContact O-N 2.91Å; E134-S317 WeakPolarHBondContact OE1-CB 3.22Å; E134-S317 PolarHBondContact OE1-OG 2.78Å; E134-S317 PolarHBondContact OE2-OG 3.46Å; S317-E321 WeakPolarHBondContact CA-OE2 3.38Å
318S97.6Very high97.9Very high4 Ų417.8 Ų17.83%0.02810%0.099CC..  trans-67.1165.816260.90000110.2T170 R171 F173 D320 E321 V322T170-S318 WeakPolarHBondContact O-CB 3.23Å; R171-S318 VanDerWaalsContact O-CB 3.32Å; R171-S318 WeakPolarHBondContact O-CB 3.39Å; R171-S318 PolarHBondContact O-OG 2.91Å; F173-S318 VanDerWaalsContact CD2-CB 3.45Å; F173-S318 VanDerWaalsContact CE2-CA 3.49Å; S318-D320 VanDerWaalsContact C-N 3.32Å; S318-D320 PolarHBondContact O-N 3.22Å; S318-E321 WeakPolarHBondContact CB-OE2 3.27Å; S318-E321 PolarHBondContact N-OE2 3.33Å; S318-E321 WeakPolarHBondContact O-CB 3.46Å; S318-E321 PolarHBondContact O-N 3.08Å; S318-E321 VanDerWaalsContact OG-CD 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.38Å; S318-E321 PolarHBondContact OG-OE2 3.41Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 3.4Å
319F97.6Very high97.9Very high7 Ų716.8 Ų16.83%0.0319%0.093CC..Hα-helixtrans-62.6-38.1-178.4-179.6-135.6000112.8C166 T170 V322 V323 F351 L357C166-F319 HydrophobicContact CB-CD2 4.01Å; C166-F319 HydrophobicContact CB-CE2 4.39Å; T170-F319 PolarHBondContact O-N 3.04Å; F319-V322 PolarHBondContact O-N 3.29Å; F319-V323 HydrophobicContact CD2-CG2 4.14Å; F319-V323 HydrophobicContact CE1-CG2 4.44Å; F319-V323 HydrophobicContact CE2-CG2 3.72Å; F319-V323 HydrophobicContact CZ-CG2 3.89Å; F319-V323 WeakPolarHBondContact O-CG2 3.37Å; F319-V323 PolarHBondContact O-N 3.39Å; F319-F351 HydrophobicContact CD1-CE1 4.46Å; F319-F351 AromaticContact CD1-CZ 3.78Å; F319-F351 HydrophobicContact CD1-CZ 3.78Å; F319-F351 HydrophobicContact CE1-CE1 4.06Å; F319-F351 HydrophobicContact CE1-CE2 4.19Å; F319-F351 AromaticContact CE1-CZ 3.38Å; F319-F351 HydrophobicContact CE1-CZ 3.38Å; F319-F351 HydrophobicContact CE2-CE1 4.21Å; F319-F351 HydrophobicContact CE2-CZ 4.35Å; F319-F351 HydrophobicContact CG-CZ 4.43Å; F319-F351 AromaticContact CZ-CE1 3.91Å; F319-F351 HydrophobicContact CZ-CE1 3.91Å; F319-F351 AromaticContact CZ-CZ 3.69Å; F319-F351 HydrophobicContact CZ-CZ 3.69Å; F319-L357 HydrophobicContact CE2-CD1 3.8Å; F319-L357 HydrophobicContact CE2-CG 4.29Å
320D98.1Very high97.9Very high53 Ų5323 Ų2328%0.28312%0.12SC..Hα-helixtrans-69-34.7177.2-65.8-8000111.3R171 Q172 S318 V323 A324R171-D320 VanDerWaalsContact CD-OD1 3.31Å; R171-D320 WeakPolarHBondContact CD-OD1 3.27Å; R171-D320 IonicContact NE-OD1 3.24Å; R171-D320 PolarHBondContact NE-OD1 2.87Å; R171-D320 WeakPolarHBondContact O-CB 3.36Å; R171-D320 PolarHBondContact O-N 3.16Å; Q172-D320 HydrophobicContact CG-CB 4.46Å; Q172-D320 WeakPolarHBondContact CG-OD2 3.41Å; Q172-D320 PolarHBondContact NE2-OD2 2.81Å; S318-D320 VanDerWaalsContact C-N 3.32Å; S318-D320 PolarHBondContact O-N 3.22Å; D320-V323 PolarHBondContact O-N 3.33Å; D320-A324 WeakPolarHBondContact O-CB 3.36Å; D320-A324 PolarHBondContact O-N 2.05Å
321E98.4Very high97.9Very high62 Ų6222.9 Ų22.929%0.2912%0.119SC..Hα-helixtrans-62.7-43.3172.4-76164.1142.400110.9R135 S317 S318 A324 M325R135-E321 IonicContact CZ-OE1 3.18Å; R135-E321 IonicContact CZ-OE2 2.95Å; R135-E321 IonicContact NE-OE1 2.75Å; R135-E321 PolarHBondContact NE-OE1 2.88Å; R135-E321 IonicContact NE-OE2 2.79Å; R135-E321 PolarHBondContact NE-OE2 2.94Å; R135-E321 IonicContact NH2-OE1 3.4Å; R135-E321 PolarHBondContact NH2-OE1 3.02Å; R135-E321 IonicContact NH2-OE2 3.46Å; R135-E321 PolarHBondContact NH2-OE2 3.37Å; S317-E321 WeakPolarHBondContact CA-OE2 3.38Å; S318-E321 WeakPolarHBondContact CB-OE2 3.27Å; S318-E321 PolarHBondContact N-OE2 3.33Å; S318-E321 WeakPolarHBondContact O-CB 3.46Å; S318-E321 PolarHBondContact O-N 3.08Å; S318-E321 VanDerWaalsContact OG-CD 3.3Å; S318-E321 WeakPolarHBondContact OG-CG 3.38Å; S318-E321 PolarHBondContact OG-OE2 3.41Å; E321-A324 PolarHBondContact O-N 3.46Å; E321-M325 WeakPolarHBondContact O-CB 3.3Å; E321-M325 PolarHBondContact O-N 3.45Å
322V98.5Very high97.9Very high1 Ų128.9 Ų28.91%0.00615%0.145CC..Hα-helixtrans-62.2-45.8174.1173.90000111.2F161 S318 F319 A324 M325 V326 L357F161-V322 HydrophobicContact CD2-CG1 3.66Å; F161-V322 HydrophobicContact CE2-CG1 3.75Å; S318-V322 WeakPolarHBondContact O-CG2 3.42Å; S318-V322 PolarHBondContact O-N 3.4Å; F319-V322 PolarHBondContact O-N 3.29Å; V322-A324 VanDerWaalsContact C-N 3.3Å; V322-A324 PolarHBondContact O-N 3.2Å; V322-M325 HydrophobicContact CG1-CE 4.15Å; V322-M325 PolarHBondContact O-N 3.09Å; V322-V326 HydrophobicContact CG1-CG2 4.18Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.37Å; V322-V326 PolarHBondContact O-N 2.96Å; V322-L357 HydrophobicContact CG1-CD1 4.21Å
323V98.5Very high97.9Very high22 Ų2229.3 Ų29.313%0.13315%0.148CC..Hα-helixtrans-58.8-43.1176.7168.30000111.1F319 D320 S327 P356 L357F319-V323 HydrophobicContact CD2-CG2 4.14Å; F319-V323 HydrophobicContact CE1-CG2 4.44Å; F319-V323 HydrophobicContact CE2-CG2 3.72Å; F319-V323 HydrophobicContact CZ-CG2 3.89Å; F319-V323 WeakPolarHBondContact O-CG2 3.37Å; F319-V323 PolarHBondContact O-N 3.39Å; D320-V323 PolarHBondContact O-N 3.33Å; V323-S327 WeakPolarHBondContact O-CB 3.44Å; V323-S327 PolarHBondContact O-N 3Å; V323-S327 PolarHBondContact O-OG 2.86Å; V323-P356 HydrophobicContact CG1-CB 3.83Å; V323-P356 HydrophobicContact CG1-CG 4.12Å; V323-L357 HydrophobicContact CG2-CD2 4.12Å; V323-L357 HydrophobicContact CG2-CG 4.11Å
324A98.3Very high97.9Very high37 Ų3728.9 Ų28.931%0.30615%0.147SC..Hα-helixtrans-64.8-45.3177.900000112.1L138 D320 E321 V322 S327 Y328L138-A324 HydrophobicContact CD2-CB 4.49Å; D320-A324 WeakPolarHBondContact O-CB 3.36Å; D320-A324 PolarHBondContact O-N 2.05Å; E321-A324 PolarHBondContact O-N 3.46Å; V322-A324 VanDerWaalsContact C-N 3.3Å; V322-A324 PolarHBondContact O-N 3.2Å; A324-S327 PolarHBondContact O-N 3.01Å; A324-Y328 WeakPolarHBondContact O-CB 3.49Å; A324-Y328 PolarHBondContact O-N 3.39Å
325M98.3Very high97.9Very high3 Ų329.9 Ų29.92%0.01515%0.15CC..Hα-helixtrans-58.4-51.8174.8172.9-16066.100111.2T131 W141 L159 F161 E321 V322 S327 Y328 L329T131-M325 HydrophobicContact CG2-SD 4.46Å; W141-M325 HydrophobicContact CD2-CG 4.09Å; W141-M325 HydrophobicContact CH2-CG 4.29Å; W141-M325 HydrophobicContact CH2-SD 3.88Å; W141-M325 HydrophobicContact CZ2-CG 3.7Å; W141-M325 HydrophobicContact CZ2-SD 3.25Å; W141-M325 WeakPolarHBondContact CZ2-SD 3.45Å; L159-M325 HydrophobicContact CD2-CE 4.1Å; F161-M325 HydrophobicContact CB-CE 4.14Å; E321-M325 WeakPolarHBondContact O-CB 3.3Å; E321-M325 PolarHBondContact O-N 3.45Å; V322-M325 HydrophobicContact CG1-CE 4.15Å; V322-M325 PolarHBondContact O-N 3.09Å; M325-S327 VanDerWaalsContact C-N 3.35Å; M325-S327 PolarHBondContact O-N 3.29Å; M325-Y328 WeakPolarHBondContact O-CB 3.43Å; M325-Y328 PolarHBondContact O-N 3.18Å; M325-Y328 VanDerWaalsContact O-N 3.16Å; M325-L329 HydrophobicContact CG-CD1 3.82Å; M325-L329 HydrophobicContact CG-CG 4.38Å; M325-L329 WeakPolarHBondContact O-CG 3.47Å; M325-L329 PolarHBondContact O-N 3.32Å; M325-L329 HydrophobicContact SD-CD1 4.41Å
326V98.5Very high97.9Very high0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-65.1-40.3-178.1175.60000111.4L159 V322 Y328 L329 K330 P331 L334 L357 F360L159-V326 HydrophobicContact CD2-CG2 3.94Å; V322-V326 HydrophobicContact CG1-CG2 4.18Å; V322-V326 VanDerWaalsContact O-CG2 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.37Å; V322-V326 PolarHBondContact O-N 2.96Å; V326-Y328 PolarHBondContact O-N 2.86Å; V326-L329 PolarHBondContact O-N 3.41Å; V326-K330 PolarHBondContact O-N 3.2Å; V326-P331 HydrophobicContact CG1-CG 4.39Å; V326-L334 HydrophobicContact CG1-CD1 3.85Å; V326-L334 HydrophobicContact CG1-CD2 3.87Å; V326-L334 HydrophobicContact CG1-CG 4.4Å; V326-L334 HydrophobicContact CG2-CD2 4.26Å; V326-L357 HydrophobicContact CB-CD2 3.66Å; V326-L357 HydrophobicContact CG1-CD2 3.75Å; V326-L357 HydrophobicContact CG2-CD2 3.87Å; V326-F360 HydrophobicContact CG1-CD2 3.82Å; V326-F360 HydrophobicContact CG1-CE1 4.44Å; V326-F360 HydrophobicContact CG1-CE2 3.46Å; V326-F360 VanDerWaalsContact CG1-CE2 3.46Å; V326-F360 HydrophobicContact CG1-CG 4.46Å; V326-F360 HydrophobicContact CG1-CZ 3.8Å
327S97.6Very high97.8Very high46 Ų4628.1 Ų28.132%0.32214%0.142SC..Hα-helixtrans-63.7-29.6176.8-590000112.4V323 A324 M325 K330V323-S327 WeakPolarHBondContact O-CB 3.44Å; V323-S327 PolarHBondContact O-N 3Å; V323-S327 PolarHBondContact O-OG 2.86Å; A324-S327 PolarHBondContact O-N 3.01Å; M325-S327 VanDerWaalsContact C-N 3.35Å; M325-S327 PolarHBondContact O-N 3.29Å; S327-K330 WeakPolarHBondContact O-CE 3.32Å; S327-K330 WeakPolarHBondContact O-CG 3.38Å
328Y97.8Very high97.7Very high52 Ų5228.2 Ų28.220%0.20414%0.143CC..Hα-helixtrans-73.7-53.9172.2176.5-110.9000111.6L138 W141 K142 H148 L153 A324 M325 V326 K330L138-Y328 HydrophobicContact CD1-CG 4.2Å; W141-Y328 HydrophobicContact CB-CD1 4.3Å; W141-Y328 HydrophobicContact CB-CE1 4.41Å; K142-Y328 HydrophobicContact CD-CE2 4.4Å; K142-Y328 HydrophobicContact CG-CD2 4.34Å; K142-Y328 HydrophobicContact CG-CE1 4.06Å; K142-Y328 HydrophobicContact CG-CE2 3.67Å; H148-Y328 AromaticContact NE2-CZ 3.89Å; H148-Y328 PolarHBondContact NE2-OH 3.29Å; L153-Y328 HydrophobicContact CD1-CE1 3.94Å; L153-Y328 HydrophobicContact CD2-CE1 4.35Å; L153-Y328 WeakPolarHBondContact CD2-O 3.24Å; A324-Y328 WeakPolarHBondContact O-CB 3.49Å; A324-Y328 PolarHBondContact O-N 3.39Å; M325-Y328 WeakPolarHBondContact O-CB 3.43Å; M325-Y328 PolarHBondContact O-N 3.18Å; M325-Y328 VanDerWaalsContact O-N 3.16Å; V326-Y328 PolarHBondContact O-N 2.86Å; Y328-K330 VanDerWaalsContact C-N 3.33Å; Y328-K330 PolarHBondContact O-N 3.23Å
329L97.9Very high97.4Very high2 Ų228.8 Ų28.81%0.0115%0.145CC..Hα-helixtrans-69.5-26-174.7-66.5179000114.3L129 W141 L147 L153 L156 L159 M325 V326L129-L329 HydrophobicContact CD2-CD1 4.12Å; W141-L329 HydrophobicContact CE3-CD1 4.21Å; W141-L329 HydrophobicContact CE3-CD2 4.17Å; W141-L329 HydrophobicContact CH2-CD1 4.14Å; W141-L329 HydrophobicContact CZ3-CD1 3.84Å; W141-L329 HydrophobicContact CZ3-CD2 4.34Å; L147-L329 HydrophobicContact CD1-CD2 4.14Å; L153-L329 HydrophobicContact CD1-CD2 4.11Å; L153-L329 HydrophobicContact CD2-CD2 4.47Å; L156-L329 HydrophobicContact CD1-CB 4.25Å; L156-L329 HydrophobicContact CD1-CD1 4.32Å; L159-L329 HydrophobicContact CD1-CD1 4.23Å; L159-L329 HydrophobicContact CD2-CD1 4.05Å; M325-L329 HydrophobicContact CG-CD1 3.82Å; M325-L329 HydrophobicContact CG-CG 4.38Å; M325-L329 WeakPolarHBondContact O-CG 3.47Å; M325-L329 PolarHBondContact O-N 3.32Å; M325-L329 HydrophobicContact SD-CD1 4.41Å; V326-L329 PolarHBondContact O-N 3.41Å
330K97.2Very high97Very high131 Ų13128.8 Ų28.857%0.5715%0.146SC*.  trans43.451.2178.6-58.9179.2-177175.80114.6Q155 V326 S327 Y328 F360Q155-K330 PolarHBondContact NE2-O 2.96Å; V326-K330 PolarHBondContact O-N 3.2Å; S327-K330 WeakPolarHBondContact O-CE 3.32Å; S327-K330 WeakPolarHBondContact O-CG 3.38Å; Y328-K330 VanDerWaalsContact C-N 3.33Å; Y328-K330 PolarHBondContact O-N 3.23Å; K330-F360 HydrophobicContact CB-CE1 4.49Å
331P98Very high96Very high2 Ų231.1 Ų31.11%0.01316%0.158CC..  trans-65.9154.7-178.131.4-37000111.8L156 L159 V326 L334 F360L156-P331 HydrophobicContact CB-CB 3.96Å; L159-P331 HydrophobicContact CB-CB 3.74Å; L159-P331 HydrophobicContact CB-CG 3.73Å; L159-P331 HydrophobicContact CD2-CG 4.03Å; V326-P331 HydrophobicContact CG1-CG 4.39Å; P331-L334 HydrophobicContact CB-CD2 4.46Å; P331-L334 HydrophobicContact CG-CD2 3.34Å; P331-L334 HydrophobicContact CG-CG 4.13Å; P331-F360 VanDerWaalsContact O-CD1 3.23Å; P331-F360 WeakPolarHBondContact O-CD1 3.26Å
332K97.9Very high94.8Very high128 Ų12835.1 Ų35.156%0.55719%0.187SC*.SBendtrans-68.3-44174.7-59.7176.8-178.3173.20111.5Q155 L156 T157 Q361Q155-K332 HydrophobicContact CG-CG 4.47Å; L156-K332 PolarHBondContact O-N 2.98Å; T157-K332 WeakPolarHBondContact O-CB 3.42Å; K332-Q361 WeakPolarHBondContact O-CB 3.48Å
333S97.7Very high94.1Very high10 Ų1036.5 Ų36.57%0.0720%0.196CC..EExtended strand (participates in β ladder)trans-122146.6177.8-72.50000113T157 S158 L159 Q361T157-S333 PolarHBondContact O-N 3.21Å; S158-S333 WeakPolarHBondContact CA-O 3.16Å; L159-S333 PolarHBondContact N-O 3.37Å; S333-Q361 WeakPolarHBondContact CA-O 3.38Å; S333-Q361 PolarHBondContact OG-OE1 2.91Å
334L97.8Very high93.6Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-119.3127178.2-74.7-175000111.5L159 F161 V326 P331 L357 F360 Q361 L362 K363L159-L334 HydrophobicContact CB-CD2 4.01Å; L159-L334 HydrophobicContact CD2-CD2 3.92Å; L159-L334 HydrophobicContact CG-CD2 4.32Å; F161-L334 HydrophobicContact CD1-CD2 4.29Å; F161-L334 HydrophobicContact CE1-CB 4.16Å; F161-L334 HydrophobicContact CE1-CD2 4.4Å; V326-L334 HydrophobicContact CG1-CD1 3.85Å; V326-L334 HydrophobicContact CG1-CD2 3.87Å; V326-L334 HydrophobicContact CG1-CG 4.4Å; V326-L334 HydrophobicContact CG2-CD2 4.26Å; P331-L334 HydrophobicContact CB-CD2 4.46Å; P331-L334 HydrophobicContact CG-CD2 3.34Å; P331-L334 HydrophobicContact CG-CG 4.13Å; L334-L357 HydrophobicContact CD1-CB 4.29Å; L334-L357 HydrophobicContact CD1-CD2 4.48Å; L334-F360 HydrophobicContact CD1-CB 3.5Å; L334-F360 HydrophobicContact CD1-CD2 3.7Å; L334-F360 HydrophobicContact CD1-CG 3.77Å; L334-F360 HydrophobicContact CG-CB 3.74Å; L334-F360 HydrophobicContact CG-CG 4.16Å; L334-Q361 PolarHBondContact N-O 2.59Å; L334-L362 HydrophobicContact CB-CD2 3.76Å; L334-L362 HydrophobicContact CD1-CD2 4.04Å; L334-K363 PolarHBondContact O-N 3.1Å
335Y97.6Very high93.3Very high22 Ų2235.7 Ų35.79%0.08619%0.191CC..EExtended strand (participates in β ladder)trans-118.799.5178.6-67.7-102.4000109.3E10 S158 L159 Y160 F161 C337 K363 C367E10-Y335 PolarHBondContact OE1-OH 2.92Å; S158-Y335 WeakPolarHBondContact OG-CE2 3.39Å; L159-Y335 PolarHBondContact O-N 3.1Å; Y160-Y335 CarbonylContact C-O 3.28Å; Y160-Y335 VanDerWaalsContact CA-O 3.29Å; Y160-Y335 WeakPolarHBondContact CA-O 3.47Å; Y160-Y335 VanDerWaalsContact CD1-CB 3.42Å; Y160-Y335 HydrophobicContact CD1-CD1 4.17Å; Y160-Y335 HydrophobicContact CD1-CD2 4.43Å; Y160-Y335 AromaticContact CD1-CG 3.8Å; Y160-Y335 HydrophobicContact CD1-CG 3.8Å; Y160-Y335 HydrophobicContact CD2-CD2 4.29Å; Y160-Y335 HydrophobicContact CD2-CG 4.45Å; Y160-Y335 AromaticContact CE1-CD1 3.59Å; Y160-Y335 HydrophobicContact CE1-CD1 3.59Å; Y160-Y335 HydrophobicContact CE1-CD2 4.15Å; Y160-Y335 HydrophobicContact CE1-CE1 4.16Å; Y160-Y335 AromaticContact CE1-CG 3.59Å; Y160-Y335 HydrophobicContact CE1-CG 3.59Å; Y160-Y335 AromaticContact CE2-CD2 3.98Å; Y160-Y335 HydrophobicContact CE2-CD2 3.98Å; Y160-Y335 HydrophobicContact CE2-CE2 4.27Å; Y160-Y335 HydrophobicContact CE2-CG 4.25Å; Y160-Y335 HydrophobicContact CG-CD2 4.49Å; Y160-Y335 HydrophobicContact CG-CG 4.22Å; Y160-Y335 AromaticContact CZ-CD1 3.92Å; Y160-Y335 AromaticContact CZ-CD2 3.91Å; Y160-Y335 AromaticContact CZ-CG 3.82Å; F161-Y335 WeakPolarHBondContact CD1-O 3.33Å; F161-Y335 PolarHBondContact N-O 2.66Å; Y335-C337 PolarHBondContact O-N 3.2Å; Y335-K363 HydrophobicContact CD1-CB 3.56Å; Y335-K363 HydrophobicContact CD1-CG 4.49Å; Y335-K363 HydrophobicContact CD2-CB 4.23Å; Y335-K363 HydrophobicContact CE1-CB 3.36Å; Y335-K363 HydrophobicContact CE1-CG 3.94Å; Y335-K363 HydrophobicContact CE2-CB 4.06Å; Y335-K363 HydrophobicContact CE2-CG 4Å; Y335-K363 HydrophobicContact CG-CB 4Å; Y335-C367 HydrophobicContact CD1-CB 3.96Å
336P96.8Very high93Very high1 Ų141.3 Ų41.31%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-73.1123174.728.8-33.9000110.4F161 S163 F348 L352 L364 C367 L368F161-P336 HydrophobicContact CE1-CB 3.75Å; F161-P336 HydrophobicContact CE1-CG 4.45Å; F161-P336 HydrophobicContact CE2-CB 4.41Å; F161-P336 HydrophobicContact CZ-CB 3.66Å; S163-P336 WeakPolarHBondContact OG-CB 3.27Å; P336-F348 HydrophobicContact CB-CE1 3.77Å; P336-F348 HydrophobicContact CB-CZ 4.17Å; P336-F348 HydrophobicContact CG-CE1 4.05Å; P336-L352 HydrophobicContact CB-CD1 4.12Å; P336-L352 HydrophobicContact CG-CD1 3.96Å; P336-L364 HydrophobicContact CG-CD1 3.47Å; P336-L364 VanDerWaalsContact CG-CD1 3.47Å; P336-C367 PolarHBondContact O-SG 2.75Å; P336-L368 WeakPolarHBondContact O-CD2 3.3Å
337C96.4Very high92.7Very high4 Ų446 Ų463%0.02725%0.246CC..  trans-85.1-17.5-172.7-69.70000114.1S3 F4 F161 S163 Y335S3-C337 CarbonylContact C-O 3.57Å; S3-C337 PolarHBondContact N-O 3.1Å; S3-C337 VanDerWaalsContact N-O 3.09Å; S3-C337 PolarHBondContact OG-O 3.32Å; F4-C337 HydrophobicContact CB-CB 4.04Å; F4-C337 PolarHBondContact N-O 3.1Å; F161-C337 WeakPolarHBondContact O-CB 3.44Å; F161-C337 PolarHBondContact O-N 3.06Å; S163-C337 PolarHBondContact OG-N 3.01Å; Y335-C337 PolarHBondContact O-N 3.2Å
338V94.7Very high92.6Very high6 Ų643.9 Ų43.94%0.03623%0.231CC..  trans-131.1121.6-171.7-170.80000111.3S3 S163 P340S3-V338 WeakPolarHBondContact OG-CA 3.12Å; S163-V338 WeakPolarHBondContact OG-CA 3.38Å; S163-V338 PolarHBondContact OG-N 2.68Å; S163-V338 PolarHBondContact OG-O 3.39Å; V338-P340 WeakPolarHBondContact O-CD 3.18Å
339L92.3Very high92.4Very high15 Ų1544.2 Ų44.28%0.07923%0.234CC..PPolyproline II helixtrans-74.1121.6163.7-72.9177.8000109S3 A345 F348 L364 L368 A372S3-L339 PolarHBondContact OG-N 3.07Å; L339-A345 HydrophobicContact CD1-CB 4.47Å; L339-A345 HydrophobicContact CD2-CB 4.4Å; L339-F348 HydrophobicContact CD2-CB 4.06Å; L339-F348 HydrophobicContact CD2-CD1 3.54Å; L339-F348 HydrophobicContact CD2-CE1 4.34Å; L339-F348 HydrophobicContact CD2-CG 4.09Å; L339-L364 HydrophobicContact CD2-CD1 4.47Å; L339-L368 HydrophobicContact CD1-CD1 3.72Å; L339-L368 HydrophobicContact CD2-CD1 3.64Å; L339-L368 HydrophobicContact CG-CD1 3.48Å; L339-L368 VanDerWaalsContact CG-CD1 3.48Å; L339-A372 HydrophobicContact CD1-CB 4.18Å; L339-A372 WeakPolarHBondContact CD1-O 3.31Å
340P88.1Confident92.3Very high7 Ų748.9 Ų48.95%0.04526%0.259CS..PPolyproline II helixtrans-56.6143.2171.6-24.134.5000110.9T167 V338 T342 C343 F348T167-P340 HydrophobicContact CG2-CB 3.57Å; T167-P340 HydrophobicContact CG2-CG 3.86Å; V338-P340 WeakPolarHBondContact O-CD 3.18Å; P340-T342 PolarHBondContact O-N 3.27Å; P340-C343 HydrophobicContact CB-CB 4.31Å; P340-C343 WeakPolarHBondContact O-CB 3.26Å; P340-C343 PolarHBondContact O-N 2.94Å; P340-F348 HydrophobicContact CG-CD2 3.81Å; P340-F348 HydrophobicContact CG-CE2 3.66Å; P340-F348 HydrophobicContact CG-CZ 4.28Å
341N77.3Confident92.2Very high103 Ų10344.4 Ų44.455%0.55124%0.24SC*.THydrogen-bonded Turntrans-52.2139.3178.8-69.9-29000110.5M289 C343M289-N341 PolarHBondContact SD-ND2 2.77Å; N341-C343 PolarHBondContact O-N 3.46Å
342T74.2Confident92.2Very high145 Ų14544.4 Ų44.489%0.8924%0.239SC*.THydrogen-bonded Turntrans67.25.217869.70000116.7P340P340-T342 PolarHBondContact O-N 3.27Å
343C82.8Confident92.1Very high30 Ų3042.7 Ų42.720%0.20324%0.235CC..  trans-105.2125.1179.1-165.30000111.5P340 N341 F348 Q376P340-C343 HydrophobicContact CB-CB 4.31Å; P340-C343 WeakPolarHBondContact O-CB 3.26Å; P340-C343 PolarHBondContact O-N 2.94Å; N341-C343 PolarHBondContact O-N 3.46Å; C343-F348 PolarHBondContact SG-N 3.38Å; C343-Q376 VanDerWaalsContact O-CD 3.23Å; C343-Q376 PolarHBondContact O-NE2 2.92Å; C343-Q376 PolarHBondContact O-OE1 3.49Å
344S89Confident92.1Very high29 Ų2947 Ų4720%0.20326%0.264CS..  trans-66.3157.6176.276.30000111.1D346 D347 F348S344-D346 PolarHBondContact O-N 3.17Å; S344-D347 WeakPolarHBondContact CB-OD2 3.37Å; S344-D347 PolarHBondContact O-N 2.82Å; S344-D347 WeakPolarHBondContact OG-CB 3.48Å; S344-D347 PolarHBondContact OG-N 2.92Å; S344-D347 PolarHBondContact OG-OD2 3.44Å; S344-F348 VanDerWaalsContact O-CB 3.23Å; S344-F348 WeakPolarHBondContact O-CB 3.37Å; S344-F348 PolarHBondContact O-N 3.47Å
345A91Very high92.1Very high14 Ų1447.8 Ų47.812%0.11627%0.27CS..Hα-helixtrans-57.7-39.7176.700000111.1L339 H349 L364L339-A345 HydrophobicContact CD1-CB 4.47Å; L339-A345 HydrophobicContact CD2-CB 4.4Å; A345-H349 WeakPolarHBondContact O-CB 3.21Å; A345-H349 PolarHBondContact O-N 2.94Å; A345-L364 HydrophobicContact CB-CD2 4.03Å; A345-L364 WeakPolarHBondContact O-CD2 3.35Å
346D91.7Very high92.1Very high120 Ų12050.1 Ų50.164%0.64229%0.288SS*.Hα-helixtrans-69.6-46.4178.4-62.2-27.1000112S344 F348 H349 N350S344-D346 PolarHBondContact O-N 3.17Å; D346-F348 VanDerWaalsContact C-N 3.26Å; D346-F348 PolarHBondContact O-N 3Å; D346-H349 PolarHBondContact O-N 2.86Å; D346-N350 WeakPolarHBondContact O-CB 3.29Å; D346-N350 VanDerWaalsContact O-CG 3.23Å; D346-N350 PolarHBondContact O-N 2.78Å; D346-N350 PolarHBondContact O-ND2 3.32Å; D346-N350 VanDerWaalsContact O-ND2 3.17Å
347D92.9Very high92.2Very high99 Ų9950.1 Ų50.153%0.52929%0.288SS..Hα-helixtrans-60.5-40.2176.4-66.4-40.1000111.2S344 F351S344-D347 WeakPolarHBondContact CB-OD2 3.37Å; S344-D347 PolarHBondContact O-N 2.82Å; S344-D347 WeakPolarHBondContact OG-CB 3.48Å; S344-D347 PolarHBondContact OG-N 2.92Å; S344-D347 PolarHBondContact OG-OD2 3.44Å; D347-F351 WeakPolarHBondContact O-CB 3.23Å; D347-F351 PolarHBondContact O-N 3.09Å
348F94.8Very high92.2Very high1 Ų150.8 Ų50.80%0.00430%0.295CS..Hα-helixtrans-68.6-43.3178.2-175.9-125000111.6C166 P336 L339 P340 C343 S344 D346 N350 F351 L352 L364C166-F348 HydrophobicContact CB-CE2 3.82Å; C166-F348 HydrophobicContact CB-CZ 4.09Å; C166-F348 WeakPolarHBondContact O-CE2 3.2Å; P336-F348 HydrophobicContact CB-CE1 3.77Å; P336-F348 HydrophobicContact CB-CZ 4.17Å; P336-F348 HydrophobicContact CG-CE1 4.05Å; L339-F348 HydrophobicContact CD2-CB 4.06Å; L339-F348 HydrophobicContact CD2-CD1 3.54Å; L339-F348 HydrophobicContact CD2-CE1 4.34Å; L339-F348 HydrophobicContact CD2-CG 4.09Å; P340-F348 HydrophobicContact CG-CD2 3.81Å; P340-F348 HydrophobicContact CG-CE2 3.66Å; P340-F348 HydrophobicContact CG-CZ 4.28Å; C343-F348 PolarHBondContact SG-N 3.38Å; S344-F348 VanDerWaalsContact O-CB 3.23Å; S344-F348 WeakPolarHBondContact O-CB 3.37Å; S344-F348 PolarHBondContact O-N 3.47Å; D346-F348 VanDerWaalsContact C-N 3.26Å; D346-F348 PolarHBondContact O-N 3Å; F348-N350 PolarHBondContact O-N 2.96Å; F348-F351 HydrophobicContact CD2-CD1 4.28Å; F348-F351 HydrophobicContact CE2-CD1 4.29Å; F348-F351 PolarHBondContact O-N 2.97Å; F348-L352 HydrophobicContact CD1-CD1 4.25Å; F348-L352 HydrophobicContact CD2-CG 4.33Å; F348-L352 HydrophobicContact CE1-CD1 3.68Å; F348-L352 HydrophobicContact CE1-CG 4.32Å; F348-L352 HydrophobicContact CE2-CD1 4.12Å; F348-L352 HydrophobicContact CE2-CD2 3.84Å; F348-L352 HydrophobicContact CE2-CG 3.89Å; F348-L352 HydrophobicContact CZ-CD1 3.58Å; F348-L352 HydrophobicContact CZ-CD2 3.93Å; F348-L352 HydrophobicContact CZ-CG 3.88Å; F348-L352 WeakPolarHBondContact O-CG 3.3Å; F348-L352 PolarHBondContact O-N 2.91Å; F348-L364 HydrophobicContact CD1-CD1 4.1Å; F348-L364 HydrophobicContact CE1-CD1 4.3Å
349H94.5Very high92.2Very high60 Ų6057.2 Ų57.228%0.27833%0.325SS..Hα-helixtrans-58.4-48.2174.3-171.665.2000111.2A345 D346 F351 L352 M353 L364A345-H349 WeakPolarHBondContact O-CB 3.21Å; A345-H349 PolarHBondContact O-N 2.94Å; D346-H349 PolarHBondContact O-N 2.86Å; H349-F351 VanDerWaalsContact C-N 3.34Å; H349-F351 PolarHBondContact O-N 2.95Å; H349-L352 PolarHBondContact O-N 3.19Å; H349-M353 WeakPolarHBondContact O-CB 3.35Å; H349-M353 VanDerWaalsContact O-CG 3.32Å; H349-M353 WeakPolarHBondContact O-CG 3.19Å; H349-M353 PolarHBondContact O-N 3.47Å; H349-L364 HydrophobicContact CB-CD2 3.88Å
350N95.6Very high92.4Very high100 Ų10057.9 Ų57.954%0.53533%0.327SS..Hα-helixtrans-60.2-42.3177.2-71.1-29.6000112D346 F348 M353 S354D346-N350 WeakPolarHBondContact O-CB 3.29Å; D346-N350 VanDerWaalsContact O-CG 3.23Å; D346-N350 PolarHBondContact O-N 2.78Å; D346-N350 PolarHBondContact O-ND2 3.32Å; D346-N350 VanDerWaalsContact O-ND2 3.17Å; F348-N350 PolarHBondContact O-N 2.96Å; N350-M353 PolarHBondContact O-N 2.95Å; N350-S354 WeakPolarHBondContact O-CB 3.48Å; N350-S354 PolarHBondContact O-N 2.79Å; N350-S354 PolarHBondContact O-OG 3.19Å
351F96.3Very high92.8Very high37 Ų3762.7 Ų62.716%0.16235%0.349CS..Hα-helixtrans-59.4-49.7175.1168.6-106.6000111.6C166 P168 F319 D347 F348 H349 M353 S354 S355C166-F351 VanDerWaalsContact C-CE1 3.5Å; C166-F351 HydrophobicContact CB-CE1 4.37Å; C166-F351 WeakPolarHBondContact O-CE1 3.35Å; P168-F351 HydrophobicContact CB-CE2 4.37Å; P168-F351 HydrophobicContact CG-CD2 3.85Å; P168-F351 HydrophobicContact CG-CE2 3.58Å; P168-F351 HydrophobicContact CG-CZ 4.32Å; F319-F351 HydrophobicContact CD1-CE1 4.46Å; F319-F351 AromaticContact CD1-CZ 3.78Å; F319-F351 HydrophobicContact CD1-CZ 3.78Å; F319-F351 HydrophobicContact CE1-CE1 4.06Å; F319-F351 HydrophobicContact CE1-CE2 4.19Å; F319-F351 AromaticContact CE1-CZ 3.38Å; F319-F351 HydrophobicContact CE1-CZ 3.38Å; F319-F351 HydrophobicContact CE2-CE1 4.21Å; F319-F351 HydrophobicContact CE2-CZ 4.35Å; F319-F351 HydrophobicContact CG-CZ 4.43Å; F319-F351 AromaticContact CZ-CE1 3.91Å; F319-F351 HydrophobicContact CZ-CE1 3.91Å; F319-F351 AromaticContact CZ-CZ 3.69Å; F319-F351 HydrophobicContact CZ-CZ 3.69Å; D347-F351 WeakPolarHBondContact O-CB 3.23Å; D347-F351 PolarHBondContact O-N 3.09Å; F348-F351 HydrophobicContact CD2-CD1 4.28Å; F348-F351 HydrophobicContact CE2-CD1 4.29Å; F348-F351 PolarHBondContact O-N 2.97Å; H349-F351 VanDerWaalsContact C-N 3.34Å; H349-F351 PolarHBondContact O-N 2.95Å; F351-M353 PolarHBondContact O-N 2.92Å; F351-S354 PolarHBondContact O-N 3.28Å; F351-S354 PolarHBondContact O-OG 3.36Å; F351-S355 PolarHBondContact O-N 3.36Å
352L97Very high93.7Very high1 Ų158.7 Ų58.71%0.00533%0.328CS..Hα-helixtrans-62.4-43.8178.6-64.6-177.7000111.7C166 P336 F348 H349 S354 S355 L357 G358 L362C166-L352 HydrophobicContact CB-CD2 4.18Å; P336-L352 HydrophobicContact CB-CD1 4.12Å; P336-L352 HydrophobicContact CG-CD1 3.96Å; F348-L352 HydrophobicContact CD1-CD1 4.25Å; F348-L352 HydrophobicContact CD2-CG 4.33Å; F348-L352 HydrophobicContact CE1-CD1 3.68Å; F348-L352 HydrophobicContact CE1-CG 4.32Å; F348-L352 HydrophobicContact CE2-CD1 4.12Å; F348-L352 HydrophobicContact CE2-CD2 3.84Å; F348-L352 HydrophobicContact CE2-CG 3.89Å; F348-L352 HydrophobicContact CZ-CD1 3.58Å; F348-L352 HydrophobicContact CZ-CD2 3.93Å; F348-L352 HydrophobicContact CZ-CG 3.88Å; F348-L352 WeakPolarHBondContact O-CG 3.3Å; F348-L352 PolarHBondContact O-N 2.91Å; H349-L352 PolarHBondContact O-N 3.19Å; L352-S354 VanDerWaalsContact C-N 3.28Å; L352-S354 PolarHBondContact O-N 2.94Å; L352-S355 WeakPolarHBondContact O-CB 3.5Å; L352-S355 PolarHBondContact O-N 3.01Å; L352-S355 PolarHBondContact O-OG 3.04Å; L352-L357 HydrophobicContact CD2-CD1 4.07Å; L352-G358 WeakPolarHBondContact O-CA 3.48Å; L352-G358 PolarHBondContact O-N 3.42Å; L352-G358 VanDerWaalsContact O-N 3.1Å; L352-L362 HydrophobicContact CB-CD1 3.68Å; L352-L362 HydrophobicContact CB-CD2 4.38Å; L352-L362 HydrophobicContact CD1-CD2 4.09Å
353M96.6Very high94.7Very high93 Ų9355.3 Ų55.346%0.45830%0.301SS..Hα-helixtrans-59.5-36.5175.8-74.5-62.4-6000112.6H349 N350 F351 S355 L362H349-M353 WeakPolarHBondContact O-CB 3.35Å; H349-M353 VanDerWaalsContact O-CG 3.32Å; H349-M353 WeakPolarHBondContact O-CG 3.19Å; H349-M353 PolarHBondContact O-N 3.47Å; N350-M353 PolarHBondContact O-N 2.95Å; F351-M353 PolarHBondContact O-N 2.92Å; M353-S355 PolarHBondContact O-N 3.5Å; M353-L362 HydrophobicContact CG-CD1 4.06Å; M353-L362 HydrophobicContact SD-CD1 3.65Å
354S97.3Very high95Very high99 Ų9954.7 Ų54.769%0.69230%0.295SS*.THydrogen-bonded Turntrans-78.1-5.6177.373.20000114.4N350 F351 L352N350-S354 WeakPolarHBondContact O-CB 3.48Å; N350-S354 PolarHBondContact O-N 2.79Å; N350-S354 PolarHBondContact O-OG 3.19Å; F351-S354 PolarHBondContact O-N 3.28Å; F351-S354 PolarHBondContact O-OG 3.36Å; L352-S354 VanDerWaalsContact C-N 3.28Å; L352-S354 PolarHBondContact O-N 2.94Å
355S97.5Very high94.5Very high17 Ų1758.3 Ų58.312%0.11932%0.321CS..SBendtrans-103.2174.1-17783.60000111.8F351 L352 M353 L357 G358F351-S355 PolarHBondContact O-N 3.36Å; L352-S355 WeakPolarHBondContact O-CB 3.5Å; L352-S355 PolarHBondContact O-N 3.01Å; L352-S355 PolarHBondContact O-OG 3.04Å; M353-S355 PolarHBondContact O-N 3.5Å; S355-L357 PolarHBondContact O-N 2.81Å; S355-L357 WeakPolarHBondContact OG-CB 3.48Å; S355-L357 PolarHBondContact OG-N 3.1Å; S355-L357 VanDerWaalsContact OG-N 3.14Å; S355-G358 PolarHBondContact O-N 2.89Å
356P97.7Very high93.9Very high72 Ų7260 Ų6047%0.46834%0.34SS..G310 helixtrans-56.9-17.7171.7-26.336.5000114.7V323 G358 Q359V323-P356 HydrophobicContact CG1-CB 3.83Å; V323-P356 HydrophobicContact CG1-CG 4.12Å; P356-G358 VanDerWaalsContact C-N 3.3Å; P356-Q359 VanDerWaalsContact O-CG 3.3Å; P356-Q359 WeakPolarHBondContact O-CG 3.26Å; P356-Q359 PolarHBondContact O-NE2 2.86Å
357L97.9Very high93.7Very high0 Ų054.4 Ų54.40%031%0.309CS..G310 helixtrans-75.8-17.9174.2-57.6-173.4000113F161 F319 V322 V323 V326 L334 L352 S355 Q359 F360F161-L357 HydrophobicContact CE2-CD1 4.27Å; F161-L357 HydrophobicContact CZ-CD1 4.19Å; F319-L357 HydrophobicContact CE2-CD1 3.8Å; F319-L357 HydrophobicContact CE2-CG 4.29Å; V322-L357 HydrophobicContact CG1-CD1 4.21Å; V323-L357 HydrophobicContact CG2-CD2 4.12Å; V323-L357 HydrophobicContact CG2-CG 4.11Å; V326-L357 HydrophobicContact CB-CD2 3.66Å; V326-L357 HydrophobicContact CG1-CD2 3.75Å; V326-L357 HydrophobicContact CG2-CD2 3.87Å; L334-L357 HydrophobicContact CD1-CB 4.29Å; L334-L357 HydrophobicContact CD1-CD2 4.48Å; L352-L357 HydrophobicContact CD2-CD1 4.07Å; S355-L357 PolarHBondContact O-N 2.81Å; S355-L357 WeakPolarHBondContact OG-CB 3.48Å; S355-L357 PolarHBondContact OG-N 3.1Å; S355-L357 VanDerWaalsContact OG-N 3.14Å; L357-Q359 PolarHBondContact O-N 3.03Å; L357-F360 WeakPolarHBondContact O-CD2 3.49Å; L357-F360 PolarHBondContact O-N 3.32Å
358G96.7Very high93.5Very high18 Ų1849.9 Ų49.919%0.18629%0.285CS..G310 helixtrans-68.7-11179.400000114.7L352 S355 P356 F360L352-G358 WeakPolarHBondContact O-CA 3.48Å; L352-G358 PolarHBondContact O-N 3.42Å; L352-G358 VanDerWaalsContact O-N 3.1Å; S355-G358 PolarHBondContact O-N 2.89Å; P356-G358 VanDerWaalsContact C-N 3.3Å; G358-F360 PolarHBondContact O-N 2.77Å
359Q95.8Very high93.2Very high141 Ų14151.4 Ų51.466%0.65929%0.291SS*.G310 helixtrans-73.8-12.717374.9-171.9-42.900113.2P356 L357P356-Q359 VanDerWaalsContact O-CG 3.3Å; P356-Q359 WeakPolarHBondContact O-CG 3.26Å; P356-Q359 PolarHBondContact O-NE2 2.86Å; L357-Q359 PolarHBondContact O-N 3.03Å
360F96.4Very high92.5Very high30 Ų3052.8 Ų52.813%0.13231%0.305CS..SBendtrans-102.2161.6-179.7-58.9-82.4000111.4V326 K330 P331 L334 L357 G358 L362V326-F360 HydrophobicContact CG1-CD2 3.82Å; V326-F360 HydrophobicContact CG1-CE1 4.44Å; V326-F360 HydrophobicContact CG1-CE2 3.46Å; V326-F360 VanDerWaalsContact CG1-CE2 3.46Å; V326-F360 HydrophobicContact CG1-CG 4.46Å; V326-F360 HydrophobicContact CG1-CZ 3.8Å; K330-F360 HydrophobicContact CB-CE1 4.49Å; P331-F360 VanDerWaalsContact O-CD1 3.23Å; P331-F360 WeakPolarHBondContact O-CD1 3.26Å; L334-F360 HydrophobicContact CD1-CB 3.5Å; L334-F360 HydrophobicContact CD1-CD2 3.7Å; L334-F360 HydrophobicContact CD1-CG 3.77Å; L334-F360 HydrophobicContact CG-CB 3.74Å; L334-F360 HydrophobicContact CG-CG 4.16Å; L357-F360 WeakPolarHBondContact O-CD2 3.49Å; L357-F360 PolarHBondContact O-N 3.32Å; G358-F360 PolarHBondContact O-N 2.77Å; F360-L362 PolarHBondContact O-N 3.32Å
361Q96.4Very high91.7Very high107 Ų10752 Ų5250%0.531%0.305SS..EExtended strand (participates in β ladder)trans-73.397.9175.8-169.5179.129.600110.9K332 S333 L334 K363K332-Q361 WeakPolarHBondContact O-CB 3.48Å; S333-Q361 WeakPolarHBondContact CA-O 3.38Å; S333-Q361 PolarHBondContact OG-OE1 2.91Å; L334-Q361 PolarHBondContact N-O 2.59Å; Q361-K363 VanDerWaalsContact CD-CE 3.5Å; Q361-K363 VanDerWaalsContact NE2-NZ 3.19Å
362L96.2Very high90.6Very high20 Ų2051.2 Ų51.211%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-77132.1178.4-71.3167.2000112.1L334 L352 M353 F360L334-L362 HydrophobicContact CB-CD2 3.76Å; L334-L362 HydrophobicContact CD1-CD2 4.04Å; L352-L362 HydrophobicContact CB-CD1 3.68Å; L352-L362 HydrophobicContact CB-CD2 4.38Å; L352-L362 HydrophobicContact CD1-CD2 4.09Å; M353-L362 HydrophobicContact CG-CD1 4.06Å; M353-L362 HydrophobicContact SD-CD1 3.65Å; F360-L362 PolarHBondContact O-N 3.32Å
363K94.7Very high89.4Confident74 Ų7454.5 Ų54.532%0.32232%0.321SS..  trans-125.876.8-176.6-64.3-69.2-169.4-178.40111.6L334 Y335 Q361 C367L334-K363 PolarHBondContact O-N 3.1Å; Y335-K363 HydrophobicContact CD1-CB 3.56Å; Y335-K363 HydrophobicContact CD1-CG 4.49Å; Y335-K363 HydrophobicContact CD2-CB 4.23Å; Y335-K363 HydrophobicContact CE1-CB 3.36Å; Y335-K363 HydrophobicContact CE1-CG 3.94Å; Y335-K363 HydrophobicContact CE2-CB 4.06Å; Y335-K363 HydrophobicContact CE2-CG 4Å; Y335-K363 HydrophobicContact CG-CB 4Å; Q361-K363 VanDerWaalsContact CD-CE 3.5Å; Q361-K363 VanDerWaalsContact NE2-NZ 3.19Å; K363-C367 WeakPolarHBondContact O-CB 3.24Å
364L89.3Confident87.6Confident17 Ų1756 Ų569%0.08933%0.327CS..  trans-81.7-52-176.2-168.767.7000113.6P336 L339 A345 F348 H349 G366 C367 L368P336-L364 HydrophobicContact CG-CD1 3.47Å; P336-L364 VanDerWaalsContact CG-CD1 3.47Å; L339-L364 HydrophobicContact CD2-CD1 4.47Å; A345-L364 HydrophobicContact CB-CD2 4.03Å; A345-L364 WeakPolarHBondContact O-CD2 3.35Å; F348-L364 HydrophobicContact CD1-CD1 4.1Å; F348-L364 HydrophobicContact CE1-CD1 4.3Å; H349-L364 HydrophobicContact CB-CD2 3.88Å; L364-G366 VanDerWaalsContact C-N 3.35Å; L364-G366 PolarHBondContact O-N 3.36Å; L364-C367 WeakPolarHBondContact O-CB 3.15Å; L364-C367 PolarHBondContact O-N 2.87Å; L364-C367 VanDerWaalsContact O-N 3.1Å; L364-L368 HydrophobicContact CD1-CD1 3.49Å; L364-L368 VanDerWaalsContact CD1-CD1 3.49Å; L364-L368 HydrophobicContact CD1-CG 3.95Å; L364-L368 HydrophobicContact CG-CD1 3.85Å; L364-L368 HydrophobicContact CG-CG 4.37Å; L364-L368 PolarHBondContact O-N 3.42Å
365S79Confident85.5Confident105 Ų10557.5 Ų57.573%0.73432%0.323SS*.THydrogen-bonded Turntrans-65.1-33.1-171.154.50000114.2C367S365-C367 VanDerWaalsContact C-N 3.33Å
366G78.5Confident83.2Confident50 Ų5059.5 Ų59.552%0.51533%0.33SS..THydrogen-bonded Turntrans-78.6-13.8175.900000114.5N5 L364N5-G366 PolarHBondContact ND2-O 3.04Å; L364-G366 VanDerWaalsContact C-N 3.35Å; L364-G366 PolarHBondContact O-N 3.36Å
367C86.1Confident80.5Confident1 Ų162.4 Ų62.41%0.00734%0.341CS..THydrogen-bonded Turntrans-93.5-40-175-171.30000112.4F4 N5 Y335 P336 K363 L364 S365F4-C367 WeakPolarHBondContact CD2-O 3.27Å; F4-C367 VanDerWaalsContact CD2-SG 3.51Å; N5-C367 WeakPolarHBondContact CB-O 3.35Å; N5-C367 PolarHBondContact N-O 3.06Å; N5-C367 PolarHBondContact ND2-O 3.4Å; N5-C367 PolarHBondContact OD1-O 3.23Å; Y335-C367 HydrophobicContact CD1-CB 3.96Å; P336-C367 PolarHBondContact O-SG 2.75Å; K363-C367 WeakPolarHBondContact O-CB 3.24Å; L364-C367 WeakPolarHBondContact O-CB 3.15Å; L364-C367 PolarHBondContact O-N 2.87Å; L364-C367 VanDerWaalsContact O-N 3.1Å; S365-C367 VanDerWaalsContact C-N 3.33Å
368L89.2Confident77.4Confident5 Ų570.4 Ų70.43%0.02637%0.372CS..BIsolated β-bridgetrans-89.5150.2-165.6-60.6-171.8000113.5S3 P336 L339 L364 I373S3-L368 CarbonylContact O-C 3.45Å; S3-L368 VanDerWaalsContact O-CA 3.29Å; S3-L368 WeakPolarHBondContact O-CA 3.35Å; S3-L368 VanDerWaalsContact OG-CD2 3.25Å; S3-L368 WeakPolarHBondContact OG-CD2 3.31Å; P336-L368 WeakPolarHBondContact O-CD2 3.3Å; L339-L368 HydrophobicContact CD1-CD1 3.72Å; L339-L368 HydrophobicContact CD2-CD1 3.64Å; L339-L368 HydrophobicContact CG-CD1 3.48Å; L339-L368 VanDerWaalsContact CG-CD1 3.48Å; L364-L368 HydrophobicContact CD1-CD1 3.49Å; L364-L368 VanDerWaalsContact CD1-CD1 3.49Å; L364-L368 HydrophobicContact CD1-CG 3.95Å; L364-L368 HydrophobicContact CG-CD1 3.85Å; L364-L368 HydrophobicContact CG-CG 4.37Å; L364-L368 PolarHBondContact O-N 3.42Å; L368-I373 HydrophobicContact CB-CD1 4.34Å; L368-I373 HydrophobicContact CB-CG1 4.13Å
369R87.7Confident74.5Confident33 Ų3373.1 Ų73.113%0.12539%0.385CS..  trans-59.4138.1170.5-65.4175.5-160.7173.87.3109.2S3 F4 N5 Y18 T371 A372 I373S3-R369 WeakPolarHBondContact O-CG 3.4Å; S3-R369 PolarHBondContact O-N 3.33Å; F4-R369 WeakPolarHBondContact O-CG 3.35Å; F4-R369 PolarHBondContact O-NE 3.25Å; F4-R369 PolarHBondContact O-NH2 3.46Å; N5-R369 HydrophobicContact CB-CG 4.3Å; Y18-R369 VanDerWaalsContact CD2-NE 3.33Å; Y18-R369 VanDerWaalsContact CE2-NE 3.34Å; R369-T371 PolarHBondContact O-N 3.4Å; R369-T371 VanDerWaalsContact O-N 3.17Å; R369-A372 HydrophobicContact CB-CB 4.28Å; R369-A372 WeakPolarHBondContact O-CB 3.15Å; R369-A372 PolarHBondContact O-N 3.39Å; R369-I373 PolarHBondContact O-N 2.87Å
370P81.8Confident71.4Confident88 Ų8875.9 Ų75.957%0.57140%0.395SS*.Hα-helixtrans-54.5-38.5176.3-26.934.5000112.8A372 I373 H374P370-A372 VanDerWaalsContact C-N 3.31Å; P370-A372 PolarHBondContact O-N 2.92Å; P370-I373 WeakPolarHBondContact O-CB 3.4Å; P370-I373 PolarHBondContact O-N 3.15Å; P370-I373 VanDerWaalsContact O-N 3.15Å; P370-H374 PolarHBondContact O-CD2 3.29Å; P370-H374 PolarHBondContact O-N 2.88Å
371T76.9Confident68.4Low85 Ų8582.4 Ų82.452%0.52142%0.423SS..Hα-helixtrans-60.6-3917650.70000112.2R369 I373 H374 H375R369-T371 PolarHBondContact O-N 3.4Å; R369-T371 VanDerWaalsContact O-N 3.17Å; T371-I373 VanDerWaalsContact C-N 3.29Å; T371-I373 PolarHBondContact O-N 3.06Å; T371-H374 PolarHBondContact O-N 3.16Å; T371-H375 WeakPolarHBondContact O-CB 3.44Å; T371-H375 PolarHBondContact O-N 2.96Å
372A73.6Confident65.2Low20 Ų2080.9 Ų80.917%0.16543%0.429CS..Hα-helixtrans-66-32.7177.400000112.3L339 R369 P370L339-A372 HydrophobicContact CD1-CB 4.18Å; L339-A372 WeakPolarHBondContact CD1-O 3.31Å; R369-A372 HydrophobicContact CB-CB 4.28Å; R369-A372 WeakPolarHBondContact O-CB 3.15Å; R369-A372 PolarHBondContact O-N 3.39Å; P370-A372 VanDerWaalsContact C-N 3.31Å; P370-A372 PolarHBondContact O-N 2.92Å
373I71.4Confident62.1Low69 Ų6988.2 Ų88.235%0.35447%0.467SS..Hα-helixtrans-71.5-42.4174.9-57.1172.1000110.4L368 R369 P370 T371L368-I373 HydrophobicContact CB-CD1 4.34Å; L368-I373 HydrophobicContact CB-CG1 4.13Å; R369-I373 PolarHBondContact O-N 2.87Å; P370-I373 WeakPolarHBondContact O-CB 3.4Å; P370-I373 PolarHBondContact O-N 3.15Å; P370-I373 VanDerWaalsContact O-N 3.15Å; T371-I373 VanDerWaalsContact C-N 3.29Å; T371-I373 PolarHBondContact O-N 3.06Å
374H59.1Low59Low126 Ų12689 Ų8958%0.58348%0.483SS*.Hα-helixtrans-86.9-25.9-175-68.4-63.3000115.5P370 T371 Q376 I377P370-H374 PolarHBondContact O-CD2 3.29Å; P370-H374 PolarHBondContact O-N 2.88Å; T371-H374 PolarHBondContact O-N 3.16Å; H374-Q376 PolarHBondContact O-N 3.36Å; H374-I377 PolarHBondContact O-N 3.42Å
375H52.8Low56Low129 Ų12999.4 Ų99.460%0.59752%0.52SS*.THydrogen-bonded Turntrans-64.6-5.9-170-124.3-75.9000115.1T371T371-H375 WeakPolarHBondContact O-CB 3.44Å; T371-H375 PolarHBondContact O-N 2.96Å
376Q49.5Very low53.4Low59 Ų59103.4 Ų103.428%0.27653%0.528SS..THydrogen-bonded Turntrans-97-3.3-173.5-58.7-154.715.700115.1C343 H374 Y378C343-Q376 VanDerWaalsContact O-CD 3.23Å; C343-Q376 PolarHBondContact O-NE2 2.92Å; C343-Q376 PolarHBondContact O-OE1 3.49Å; H374-Q376 PolarHBondContact O-N 3.36Å; Q376-Y378 VanDerWaalsContact C-N 3.3Å
377I41.4Very low50.7Low134 Ų134106.2 Ų106.269%0.68754%0.538SS*.THydrogen-bonded Turntrans-73.6-25.6167.7-61.8176.2000110.9H374H374-I377 PolarHBondContact O-N 3.42Å
378Y33.1Very low47.9Very low167 Ų167112 Ų11266%0.65558%0.578SS**THydrogen-bonded Turntrans-108.3-15.4-170-79.1-84000116.4Q376 K380 K381Q376-Y378 VanDerWaalsContact C-N 3.3Å; Y378-K380 PolarHBondContact O-N 2.96Å; Y378-K381 PolarHBondContact O-N 3.14Å
379T34.8Very low44.7Very low75 Ų75120.1 Ų120.146%0.4662%0.616SS.*Hα-helixtrans-72.9-11.1179.643.90000114.4K381T379-K381 PolarHBondContact O-N 3.44Å
380K32.4Very low41.8Very low199 Ų199124.5 Ų124.587%0.86565%0.652SS**Hα-helixtrans-65.7-21.4165-86.2-174.5177.8175.90113.6Y378Y378-K380 PolarHBondContact O-N 2.96Å
381K31.4Very low39Very low167 Ų167131.7 Ų131.773%0.72667%0.667SS**Hα-helixtrans-97.3-22.1-178.9-85.8-178.4174.2176.60114.9Y378 T379 S384Y378-K381 PolarHBondContact O-N 3.14Å; T379-K381 PolarHBondContact O-N 3.44Å; K381-S384 PolarHBondContact O-OG 3.31Å; K381-S384 VanDerWaalsContact O-OG 3.05Å
382A29.8Very low36.5Very low76 Ų76139.7 Ų139.763%0.62869%0.688SS**Hα-helixtrans-86.6-8.7-170.300000115.7S384A382-S384 PolarHBondContact O-N 2.87Å
383L30.6Very low34.1Very low173 Ų173145.4 Ų145.491%0.90672%0.721SS**THydrogen-bonded Turntrans-69.35.3172.7-83.7162000114.1
384S29.6Very low31.8Very low92 Ų92148.4 Ų148.464%0.64374%0.743SS**THydrogen-bonded Turntrans-109.22.7-175.466.90000116.2K381 A382K381-S384 PolarHBondContact O-OG 3.31Å; K381-S384 VanDerWaalsContact O-OG 3.05Å; A382-S384 PolarHBondContact O-N 2.87Å
385R27.9Very low30.3Very low234 Ų234147.8 Ų147.888%0.88375%0.753SS**  trans-123.994.7-178.2-72-173.4169.7176.2-3.9113.1
386Q23.6Very low28.9Very low190 Ų190151 Ų15189%0.88877%0.765SS**  trans-59.7137.5165.3-78.7173.1-36.700112.1
387C21.1Very low27.8Very low108 Ų108157.5 Ų157.573%0.7380%0.795SS**  44.5113.2128.4-136.50000119.1
388S27.4Very low27Very low122 Ų122155 Ų15585%0.85379%0.794SS**  trans-147.9117.1145.250.40000110.1
389H22Very low26.5Very low177 Ų177152.2 Ų152.282%0.81980%0.799SS**  trans-66.1146.5173.6-71-12.7000112.5
390S27.2Very low26Very low125 Ų125153.3 Ų153.387%0.87481%0.81SS**  trans-160.6139.1137.6-170.30000111.9
391R22.5Very low25.6Very low239 Ų239151.9 Ų151.990%0.90281%0.811SS**  trans-78.1145.9-170.6-73.3168.6165.3168.8-5.6112.1
392R24.3Very low25.3Very low253 Ų253149.5 Ų149.596%0.95581%0.814SS**  trans-120.2139.6163.2-118.2178.5-176.41770.8110.1
393T24.3Very low24.9Very low140 Ų140155 Ų15586%0.85983%0.827SS**  trans-95.3163.7-174.442.90000113.1
394T23.6Very low24.6Very low132 Ų132154 Ų15481%0.8182%0.82SS**  trans-89.8153.7-164.651.20000116.3
395S27.3Very low24.4Very low113 Ų113155.1 Ų155.179%0.7983%0.828SS**  trans-165.3116.1143.362.20000108.2
396K22.7Very low24.5Very low197 Ų197153.3 Ų153.386%0.85783%0.827SS**  56.6102.175.5-75.8-164.8-179.8-176.90116
397H27.3Very low24.6Very low194 Ų194154.2 Ų154.290%0.89883%0.828SS**  trans-172.5117.9142.4-95.7-69.8000106
398A23.1Very low24.9Very low82 Ų82154.4 Ų154.468%0.67883%0.83SS**  93.4129.868.400000113.9
399S24Very low25Very low108 Ų108155.3 Ų155.376%0.75583%0.825SS**  trans73.6115.2150.4610000123.5
400S23.3Very low25.1Very low98 Ų98151.8 Ų151.869%0.68583%0.826SS**  80.9127.1117.778.80000123.2
401L23.7Very low25.2Very low170 Ų170148.4 Ų148.489%0.8981%0.812SS**  trans64118.3136.9-69.2162000119.3
402C25.1Very low25.4Very low117 Ų117143.1 Ų143.179%0.79181%0.811SS**  178.7133.2102.3-165.50000110
403Q21.9Very low25.9Very low191 Ų191135.5 Ų135.589%0.89378%0.783SS**  trans-83130.7174.1-69.6171.1-34.600109.8
404I25.5Very low26.2Very low151 Ų151133.6 Ų133.677%0.77477%0.771SS**  trans-137.4128.6160.4-60.8-178.9000108.6
405S24.8Very low26.6Very low116 Ų116129.8 Ų129.881%0.81175%0.745SS**  trans-65.1141.6-179.8590000112.1
406K30.2Very low26.8Very low197 Ų197126 Ų12686%0.85772%0.719SS**  trans-125.9129.1170.8-75.9-173.5177.4-179.30110.5
407K25.5Very low27.1Very low208 Ų208120.8 Ų120.890%0.90471%0.705SS**  trans-70.7140.8170.2-76.4178.4174.61780109.8
408S27.7Very low27.4Very low112 Ų112113.6 Ų113.678%0.78368%0.68SS**  trans-50.4128.9175157.50000112.6
409L29.9Very low27.9Very low141 Ų141114.4 Ų114.474%0.73868%0.68SS**  trans-108.598.7163.4-80.9162.6000106.8G411L409-G411 PolarHBondContact O-N 3.35Å
410A24.3Very low28.5Very low103 Ų103114.9 Ų114.985%0.85167%0.671SS**  trans-82.898.216800000108
411G27.5Very low28.8Very low55 Ų55115.3 Ų115.357%0.56767%0.671SS**  trans-122.5121.7175.500000109.7L409 Y413L409-G411 PolarHBondContact O-N 3.35Å; G411-Y413 PolarHBondContact O-N 3.2Å
412S27.7Very low29Very low128 Ų128111.5 Ų111.590%0.89566%0.658SS**  trans-55.5116-170.4-29.40000113.1
413Y35.7Very low29.4Very low93 Ų93113.9 Ų113.937%0.36566%0.657SS.*  trans-92126.2173.3-176.7-133.1000110G411 I415G411-Y413 PolarHBondContact O-N 3.2Å; Y413-I415 HydrophobicContact CD1-CB 4.47Å; Y413-I415 HydrophobicContact CD1-CD1 4.02Å; Y413-I415 HydrophobicContact CD1-CG1 3.32Å; Y413-I415 HydrophobicContact CE1-CB 4.24Å; Y413-I415 HydrophobicContact CE1-CD1 3.74Å; Y413-I415 HydrophobicContact CE1-CG1 3.01Å; Y413-I415 HydrophobicContact CG-CG1 4.43Å; Y413-I415 PolarHBondContact O-N 2.85Å
414V29.8Very low29.6Very low99 Ų99111.3 Ų111.360%0.665%0.65SS**  trans-88.989162.6-177.20000106.7S416V414-S416 VanDerWaalsContact C-N 3.29Å; V414-S416 PolarHBondContact O-N 3.4Å
415I31.1Very low29.6Very low52 Ų52108.1 Ų108.127%0.26765%0.654SS.*  trans-63.1109.5141.6-57.6177.2000102.1F211 Y413 P417F211-I415 HydrophobicContact CD2-CG2 3.95Å; F211-I415 HydrophobicContact CE2-CG2 3.98Å; Y413-I415 HydrophobicContact CD1-CB 4.47Å; Y413-I415 HydrophobicContact CD1-CD1 4.02Å; Y413-I415 HydrophobicContact CD1-CG1 3.32Å; Y413-I415 HydrophobicContact CE1-CB 4.24Å; Y413-I415 HydrophobicContact CE1-CD1 3.74Å; Y413-I415 HydrophobicContact CE1-CG1 3.01Å; Y413-I415 HydrophobicContact CG-CG1 4.43Å; Y413-I415 PolarHBondContact O-N 2.85Å; I415-P417 WeakPolarHBondContact O-CD 3.33Å; I415-P417 VanDerWaalsContact O-N 3.15Å
416S31.8Very low29.6Very low35 Ų35109.7 Ų109.725%0.24565%0.653CS.*  trans-67.3108159.8-70.40000105.3D140 V414 A418D140-S416 VanDerWaalsContact CG-OG 3.25Å; D140-S416 PolarHBondContact OD1-OG 3.29Å; D140-S416 WeakPolarHBondContact OD2-CB 3.14Å; D140-S416 PolarHBondContact OD2-OG 3.44Å; V414-S416 VanDerWaalsContact C-N 3.29Å; V414-S416 PolarHBondContact O-N 3.4Å; S416-A418 PolarHBondContact O-N 2.79Å
417P28.5Very low29.5Very low86 Ų86112.5 Ų112.556%0.55866%0.658SS**  trans-63.791.2145.431.1-30.4000103.6I415 S419I415-P417 WeakPolarHBondContact O-CD 3.33Å; I415-P417 VanDerWaalsContact O-N 3.15Å; P417-S419 PolarHBondContact O-N 3.06Å
418A34.6Very low29.5Very low44 Ų44107.5 Ų107.536%0.36466%0.655SS.*  trans-49.6105.9147.600000103.2W177 S416 E420W177-A418 PolarHBondContact NE1-O 3.46Å; S416-A418 PolarHBondContact O-N 2.79Å; A418-E420 PolarHBondContact O-N 3.4Å
419S32.7Very low29.5Very low99 Ų99106.3 Ų106.369%0.69265%0.653SS**  trans-22.8113.4-164.450.60000112P417 P421P417-S419 PolarHBondContact O-N 3.06Å; S419-P421 WeakPolarHBondContact O-CD 3.46Å; S419-P421 VanDerWaalsContact O-N 3.07Å
420E38.1Very low29.3Very low118 Ų118105 Ų10555%0.55166%0.662SS**  trans-50.4118.7156.8-171.5170.7-155.300105.3A418 C422A418-E420 PolarHBondContact O-N 3.4Å; E420-C422 VanDerWaalsContact C-N 3.29Å; E420-C422 PolarHBondContact O-N 3.23Å
421P29.3Very low29.4Very low107 Ų107105.5 Ų105.570%0.69566%0.659SS**  trans-63.6104.3168.3-11.826.3000104.5S419 E423S419-P421 WeakPolarHBondContact O-CD 3.46Å; S419-P421 VanDerWaalsContact O-N 3.07Å; P421-E423 PolarHBondContact O-N 3.48Å
422C27.9Very low29.3Very low90 Ų90108 Ų10861%0.60867%0.668SS**  trans-51.4119.6176.2-62.20000107.6E420 D424E420-C422 VanDerWaalsContact C-N 3.29Å; E420-C422 PolarHBondContact O-N 3.23Å; C422-D424 WeakPolarHBondContact CB-O 3.45Å; C422-D424 PolarHBondContact O-N 3.25Å
423E32.3Very low29.1Very low166 Ų166112.3 Ų112.378%0.77667%0.671SS**SBendtrans-69.8-4.3171.3-87.3-178.9-178.100111.7K181 P421K181-E423 IonicContact NZ-OE1 3.2Å; K181-E423 PolarHBondContact NZ-OE1 3.33Å; P421-E423 PolarHBondContact O-N 3.48Å
424D26.6Very low28.6Very low138 Ų138116.9 Ų116.974%0.73869%0.693SS**SBendtrans-127.8123.8170.5-68.6-48.4000111.1C422 N426C422-D424 WeakPolarHBondContact CB-O 3.45Å; C422-D424 PolarHBondContact O-N 3.25Å; D424-N426 VanDerWaalsContact C-N 3.28Å; D424-N426 PolarHBondContact O-N 3.04Å
425G26.3Very low28.4Very low84 Ų84119 Ų11987%0.86670%0.701SS**  trans-70.856.3-167.800000117.1
426N25.1Very low28.2Very low149 Ų149123.8 Ų123.880%0.79773%0.732SS**  trans-128.5113.9168.7-89.9-29.8000112.3D424 A428D424-N426 VanDerWaalsContact C-N 3.28Å; D424-N426 PolarHBondContact O-N 3.04Å; N426-A428 PolarHBondContact O-N 3.45Å
427R26.5Very low27.8Very low256 Ų256129.8 Ų129.897%0.96676%0.76SS**  trans-66.7108.3171.2-78.4177.3171.7-179.8-2.4109.7
428A26.6Very low27.7Very low102 Ų102134 Ų13484%0.84377%0.772SS**  trans-90.2111.3156.500000108.3N426N426-A428 PolarHBondContact O-N 3.45Å
429A27.2Very low27.4Very low88 Ų88140.6 Ų140.673%0.72779%0.793SS**  trans-63.1138.1-179.500000111.7S431A429-S431 PolarHBondContact O-N 2.81Å
430A26.8Very low27.1Very low112 Ų112142.1 Ų142.193%0.92680%0.803SS**  trans-60.2104.7168.200000110.2
431S24.4Very low26.6Very low115 Ų115140.4 Ų140.480%0.80481%0.809SS**  trans-118.583.3170.360.50000110.4A429A429-S431 PolarHBondContact O-N 2.81Å
432S26Very low26.6Very low108 Ų108141 Ų14176%0.75581%0.811SS**  trans-168.772.3149-166.70000110.5
433F24.5Very low26.8Very low217 Ų217144.3 Ų144.395%0.95282%0.822SS**  trans-139.281.5155.8-91.7-83000106.9
434K24.6Very low26.5Very low190 Ų190145.7 Ų145.783%0.82683%0.829SS**  trans-127.9117.5161.8-88.6-171.7176.4-179.60108.7
435N26Very low26.8Very low144 Ų144152.6 Ų152.677%0.7785%0.852SS**  trans71.294.1151-57.3-17.1000118.3
436V27.5Very low26.9Very low151 Ų151156 Ų15692%0.91585%0.851SS**  trans-132.970.4134.8-171.80000108.3
437I23.4Very low26.9Very low162 Ų162156.4 Ų156.483%0.83185%0.854SS**  trans-13591.7155.4-58.2178.6000105
438Q25.9Very low27Very low174 Ų174150.8 Ų150.881%0.81385%0.848SS**  trans-165120.1152.2-110.41774.100111.8
439K26.9Very low27Very low183 Ų183153.7 Ų153.780%0.79685%0.848SS**  trans77.588.8149-62.6-178.3177.9-177.50118.9
440S27.1Very low27Very low130 Ų130157.8 Ų157.891%0.90986%0.856SS**  trans-118.673.2141.153.60000110.1
441A27.5Very low27Very low82 Ų82160.9 Ų160.968%0.67885%0.851SS**  trans-155.4101.4160.400000102.6
442V28.7Very low27.2Very low120 Ų120164.1 Ų164.173%0.72786%0.855SS**  -171.8125.380.2168.10000102.5
443D33.7Very low27.3Very low160 Ų160168.5 Ų168.586%0.85686%0.862SS**  -155.3101.1109-80.4-34.4000109.8
444Q25.4Very low27.5Very low194 Ų194164.4 Ų164.491%0.90786%0.855SS**  trans-97.2103.9148.1-82.5-176.3-19.400106.9
445K33.2Very low27.8Very low283 Ų283162.1 Ų162.1100%1.2386%0.857SS**  trans-166.30139-109.1-179-175.8-176.60110

Retrieved 445 of 445 residues in 354.2 ms (Link to these results)

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