A0A096M9K7_POEFO Loading...

SRCR domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M9K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 312 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
1V94.4Very high90.1Very high38 Ų3857.7 Ų57.723%0.2333%0.327CS..  0155.9073.90000112.6V14 E15 V16 V38 A41 L42 D76V1-V14 HydrophobicContact CG2-CG1 3.53Å; V1-E15 CarbonylContact C-O 3.51Å; V1-E15 WeakPolarHBondContact CA-O 3.37Å; V1-E15 WeakPolarHBondContact CG2-O 3.47Å; V1-V16 HydrophobicContact CG2-CG1 4.1Å; V1-V38 HydrophobicContact CG1-CG1 4.29Å; V1-V38 HydrophobicContact CG2-CG1 4Å; V1-V38 HydrophobicContact CG2-CG2 4.4Å; V1-A41 HydrophobicContact CG1-CB 3.68Å; V1-L42 HydrophobicContact CG1-CD2 4.01Å; V1-L42 HydrophobicContact CG1-CG 4.12Å; V1-D76 PolarHBondContact N-OD2 2.93Å; V1-D76 VanDerWaalsContact N-OD2 3.17Å
2R94.5Very high90.6Very high83 Ų8352.9 Ų52.931%0.31330%0.299SS..EExtended strand (participates in β ladder)trans-138.3167.3165.476.6-177.7178.4-174.3-0.3110.6M4 E15 W22R2-M4 HydrophobicContact CG-CG 4.36Å; R2-M4 HydrophobicContact CG-SD 4.4Å; R2-E15 HydrophobicContact CG-CB 3.91Å; R2-E15 IonicContact CZ-OE2 3.81Å; R2-E15 PolarHBondContact N-O 3.27Å; R2-E15 IonicContact NE-OE2 3.69Å; R2-E15 PolarHBondContact NE-OE2 3.45Å; R2-E15 IonicContact NH2-OE2 2.66Å; R2-E15 PolarHBondContact NH2-OE2 2.01Å; R2-E15 PolarHBondContact O-N 3.47Å; R2-W22 HydrophobicContact CB-CH2 3.77Å; R2-W22 HydrophobicContact CB-CZ3 3.77Å; R2-W22 HydrophobicContact CG-CD2 4.48Å; R2-W22 HydrophobicContact CG-CE3 3.78Å; R2-W22 HydrophobicContact CG-CH2 3.79Å; R2-W22 HydrophobicContact CG-CZ2 4.48Å; R2-W22 HydrophobicContact CG-CZ3 3.4Å
3V96.8Very high91.2Very high22 Ų2249.8 Ų49.813%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-121.2141.3170.7-72.10000111.6S9 R13 L42 V98V3-S9 WeakPolarHBondContact CG2-O 3.28Å; V3-R13 CarbonylContact C-O 3.55Å; V3-R13 VanDerWaalsContact CA-O 3.22Å; V3-R13 WeakPolarHBondContact CA-O 3.42Å; V3-L42 HydrophobicContact CG1-CD1 3.72Å; V3-L42 HydrophobicContact CG2-CD1 4.07Å; V3-V98 HydrophobicContact CG1-CG2 3.73Å
4M96.1Very high91.8Very high67 Ų6746.3 Ų46.333%0.3326%0.26SS..EExtended strand (participates in β ladder)trans-126.4157.3-177.1-61.4-60.3-72.600111.6R2 G6 G12 R13 E15R2-M4 HydrophobicContact CG-CG 4.36Å; R2-M4 HydrophobicContact CG-SD 4.4Å; M4-G6 PolarHBondContact O-N 3.3Å; M4-G12 CarbonylContact O-C 3.49Å; M4-G12 WeakPolarHBondContact O-CA 3.11Å; M4-R13 PolarHBondContact N-O 2.77Å; M4-R13 PolarHBondContact O-N 2.93Å; M4-E15 HydrophobicContact CG-CG 4.43Å; M4-E15 WeakPolarHBondContact CG-OE1 3.28Å; M4-E15 WeakPolarHBondContact CG-OE2 3.38Å
5N89.1Confident92.2Very high106 Ų10643.9 Ų43.957%0.56725%0.246SC*.SBendtrans56.320.2176.1-62.4-4.1000115.8R13 F56N5-R13 PolarHBondContact ND2-NH1 3.13Å; N5-F56 HydrophobicContact CB-CB 4.38Å; N5-F56 WeakPolarHBondContact CB-O 3.22Å; N5-F56 PolarHBondContact ND2-O 3.29Å
6G82.5Confident92.5Very high27 Ų2741.3 Ų41.328%0.27823%0.232SC..SBendtrans-92.4163.816800000112.3M4 S8 Q11M4-G6 PolarHBondContact O-N 3.3Å; G6-S8 PolarHBondContact O-N 3.46Å; G6-Q11 WeakPolarHBondContact CA-O 3.47Å
7N78.6Confident92.6Very high133 Ų13344.2 Ų44.271%0.71125%0.246SC*.SBendtrans-78.41.8175.869.912.1000113.7Q11N7-Q11 PolarHBondContact ND2-NE2 3.31Å; N7-Q11 WeakPolarHBondContact OD1-CG 3.41Å; N7-Q11 PolarHBondContact OD1-NE2 3.11Å; N7-Q11 PolarHBondContact OD1-OE1 3.17Å
8S83.5Confident92.8Very high23 Ų2345.5 Ų45.516%0.16125%0.247CC..SBendtrans-159.8168.9176.672.80000111.3G6 C10 Q11G6-S8 PolarHBondContact O-N 3.46Å; S8-C10 PolarHBondContact O-N 2.79Å; S8-C10 PolarHBondContact OG-N 3.06Å; S8-Q11 PolarHBondContact O-N 2.84Å; S8-Q11 VanDerWaalsContact O-O 3.05Å
9S88.3Confident92.7Very high91 Ų9151.3 Ų51.364%0.63627%0.269SS*.THydrogen-bonded Turntrans-68.4-1.417864.90000115.1V3V3-S9 WeakPolarHBondContact CG2-O 3.28Å
10C92.5Very high92.8Very high10 Ų1055.4 Ų55.47%0.06830%0.297CS..THydrogen-bonded Turntrans-121.417.2-176.1-700000113.2S8 C44 C100 R102S8-C10 PolarHBondContact O-N 2.79Å; S8-C10 PolarHBondContact OG-N 3.06Å; C10-C44 WeakPolarHBondContact CA-SG 3.25Å; C10-C44 HydrophobicContact CB-CB 3.59Å; C10-C44 WeakPolarHBondContact CB-SG 3.12Å; C10-C44 WeakPolarHBondContact SG-CB 3.24Å; C10-C44 CovalentContact SG-SG 2.03Å; C10-C44 PolarHBondContact SG-SG 3.33Å; C10-C100 HydrophobicContact CB-CB 4.22Å; C10-C100 VanDerWaalsContact O-CB 3.25Å; C10-C100 WeakPolarHBondContact O-CB 3.43Å; C10-C100 PolarHBondContact O-N 3.47Å; C10-C100 PolarHBondContact O-SG 2.88Å; C10-C100 VanDerWaalsContact O-SG 3.33Å; C10-R102 HydrophobicContact CB-CG 3.5Å
11Q94.8Very high92.9Very high35 Ų3557.4 Ų57.416%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-151.3156167.462.6173.860.300109.8G6 N7 S8 F56 V98 I99G6-Q11 WeakPolarHBondContact CA-O 3.47Å; N7-Q11 PolarHBondContact ND2-NE2 3.31Å; N7-Q11 WeakPolarHBondContact OD1-CG 3.41Å; N7-Q11 PolarHBondContact OD1-NE2 3.11Å; N7-Q11 PolarHBondContact OD1-OE1 3.17Å; S8-Q11 PolarHBondContact O-N 2.84Å; S8-Q11 VanDerWaalsContact O-O 3.05Å; Q11-F56 HydrophobicContact CB-CZ 4.18Å; Q11-V98 CarbonylContact C-O 3.45Å; Q11-V98 WeakPolarHBondContact CA-O 3.32Å; Q11-V98 WeakPolarHBondContact CB-O 3.42Å; Q11-I99 HydrophobicContact CB-CB 4.37Å; Q11-I99 HydrophobicContact CB-CG1 4.14Å; Q11-I99 HydrophobicContact CB-CG2 4.39Å
12G96.8Very high93Very high0 Ų059.7 Ų59.70%031%0.311CS..EExtended strand (participates in β ladder)trans145.9179.8177.400000112.6M4 F56 G97 V98M4-G12 CarbonylContact O-C 3.49Å; M4-G12 WeakPolarHBondContact O-CA 3.11Å; G12-F56 WeakPolarHBondContact O-CD2 3.46Å; G12-G97 CarbonylContact O-C 3.48Å; G12-G97 VanDerWaalsContact O-CA 3.24Å; G12-G97 WeakPolarHBondContact O-CA 3.03Å; G12-V98 PolarHBondContact N-O 2.85Å; G12-V98 PolarHBondContact O-N 3.1Å
13R98.5Very high93.2Very high13 Ų1355.8 Ų55.85%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-63.1133.2170-179.3-179.960-102.6-2.8109.2V3 M4 N5 E15 F56 G57 Y58 D95 A96V3-R13 CarbonylContact C-O 3.55Å; V3-R13 VanDerWaalsContact CA-O 3.22Å; V3-R13 WeakPolarHBondContact CA-O 3.42Å; M4-R13 PolarHBondContact N-O 2.77Å; M4-R13 PolarHBondContact O-N 2.93Å; N5-R13 PolarHBondContact ND2-NH1 3.13Å; R13-E15 IonicContact CZ-OE1 2.99Å; R13-E15 IonicContact NE-OE1 3.16Å; R13-E15 PolarHBondContact NE-OE1 3.21Å; R13-E15 IonicContact NH2-OE1 2.81Å; R13-E15 PolarHBondContact NH2-OE1 2.77Å; R13-F56 HydrophobicContact CB-CB 4.1Å; R13-G57 PolarHBondContact NH1-O 3.13Å; R13-Y58 PolarHBondContact NH1-O 2.79Å; R13-D95 HydrophobicContact CG-CB 4.03Å; R13-A96 WeakPolarHBondContact CA-O 3.01Å
14V98.4Very high93.3Very high0 Ų054.7 Ų54.70%029%0.29CS..EExtended strand (participates in β ladder)trans-81.7129.8-178.4-177.70000110V1 V25 W30 V38 L77 A96 V98V1-V14 HydrophobicContact CG2-CG1 3.53Å; V14-V25 HydrophobicContact CB-CG2 4.44Å; V14-V25 HydrophobicContact CG1-CG2 3.94Å; V14-W30 HydrophobicContact CG1-CH2 4.45Å; V14-W30 HydrophobicContact CG2-CH2 4.34Å; V14-W30 HydrophobicContact CG2-CZ2 3.9Å; V14-V38 HydrophobicContact CG1-CG1 4.33Å; V14-V38 HydrophobicContact CG1-CG2 4.02Å; V14-V38 HydrophobicContact CG2-CG1 4.15Å; V14-V38 HydrophobicContact CG2-CG2 4.34Å; V14-L77 HydrophobicContact CG1-CD1 3.89Å; V14-A96 PolarHBondContact N-O 2.03Å; V14-V98 HydrophobicContact CG2-CB 4.4Å; V14-V98 HydrophobicContact CG2-CG1 3.74Å; V14-V98 HydrophobicContact CG2-CG2 4.04Å
15E98.1Very high93.4Very high11 Ų1151.5 Ų51.55%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-128.6139.4172-69175.6-167.100110.1V1 R2 M4 R13 W22 G23 T24V1-E15 CarbonylContact C-O 3.51Å; V1-E15 WeakPolarHBondContact CA-O 3.37Å; V1-E15 WeakPolarHBondContact CG2-O 3.47Å; R2-E15 HydrophobicContact CG-CB 3.91Å; R2-E15 IonicContact CZ-OE2 3.81Å; R2-E15 PolarHBondContact N-O 3.27Å; R2-E15 IonicContact NE-OE2 3.69Å; R2-E15 PolarHBondContact NE-OE2 3.45Å; R2-E15 IonicContact NH2-OE2 2.66Å; R2-E15 PolarHBondContact NH2-OE2 2.01Å; R2-E15 PolarHBondContact O-N 3.47Å; M4-E15 HydrophobicContact CG-CG 4.43Å; M4-E15 WeakPolarHBondContact CG-OE1 3.28Å; M4-E15 WeakPolarHBondContact CG-OE2 3.38Å; R13-E15 IonicContact CZ-OE1 2.99Å; R13-E15 IonicContact NE-OE1 3.16Å; R13-E15 PolarHBondContact NE-OE1 3.21Å; R13-E15 IonicContact NH2-OE1 2.81Å; R13-E15 PolarHBondContact NH2-OE1 2.77Å; E15-W22 HydrophobicContact CB-CE3 4.06Å; E15-W22 WeakPolarHBondContact O-CZ3 3.2Å; E15-G23 CarbonylContact C-O 3.58Å; E15-G23 WeakPolarHBondContact CA-O 3.06Å; E15-G23 WeakPolarHBondContact CB-O 2.98Å; E15-T24 HydrophobicContact CG-CG2 4.07Å
16V97.1Very high93.8Very high2 Ų246.5 Ų46.51%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-114.4151.1178.5-66.90000110.4V1 W22 G23 V25 L64 L65 L77 W85V1-V16 HydrophobicContact CG2-CG1 4.1Å; V16-W22 WeakPolarHBondContact O-CA 3.23Å; V16-G23 PolarHBondContact N-O 2.95Å; V16-G23 PolarHBondContact O-N 3.21Å; V16-G23 VanDerWaalsContact O-N 3.07Å; V16-V25 HydrophobicContact CG1-CG2 3.99Å; V16-V25 HydrophobicContact CG2-CG2 4.19Å; V16-L64 HydrophobicContact CG2-CB 3.82Å; V16-L64 HydrophobicContact CG2-CD1 4.04Å; V16-L64 WeakPolarHBondContact O-CD1 3.37Å; V16-L65 HydrophobicContact CB-CD1 4.48Å; V16-L65 HydrophobicContact CG1-CD1 4.02Å; V16-L65 HydrophobicContact CG2-CD1 3.93Å; V16-L65 HydrophobicContact CG2-CG 4.12Å; V16-L77 HydrophobicContact CG1-CB 4.38Å; V16-L77 HydrophobicContact CG1-CD1 3.94Å; V16-W85 HydrophobicContact CG2-CZ3 3.99Å
17L95.1Very high94.6Very high91 Ų9146 Ų4648%0.47624%0.239SC..EExtended strand (participates in β ladder)trans-104.2117.9179.1-179.465.6000108.8W22L17-W22 HydrophobicContact CB-CD2 4.1Å; L17-W22 HydrophobicContact CB-CE3 3.99Å; L17-W22 HydrophobicContact CB-CH2 3.94Å; L17-W22 HydrophobicContact CB-CZ2 4.03Å; L17-W22 HydrophobicContact CB-CZ3 3.9Å; L17-W22 HydrophobicContact CD1-CD2 4.05Å; L17-W22 HydrophobicContact CD1-CG 4.08Å; L17-W22 HydrophobicContact CD1-CZ2 4.46Å; L17-W22 HydrophobicContact CD2-CZ2 4.25Å; L17-W22 HydrophobicContact CG-CZ2 4.49Å
18Y95.3Very high95.5Very high67 Ų6742.4 Ų42.426%0.26322%0.219SC..EExtended strand (participates in β ladder)trans-129.4127.6175.3-179.3-111.7000110.2T20 I21 W85Y18-T20 PolarHBondContact O-N 3.24Å; Y18-T20 VanDerWaalsContact O-N 3.13Å; Y18-I21 PolarHBondContact N-O 3.13Å; Y18-I21 PolarHBondContact O-N 3.36Å; Y18-W85 HydrophobicContact CD1-CB 3.99Å; Y18-W85 HydrophobicContact CD1-CD2 4.04Å; Y18-W85 HydrophobicContact CD1-CE3 4.14Å; Y18-W85 AromaticContact CD1-CG 4Å; Y18-W85 HydrophobicContact CD1-CG 4Å; Y18-W85 AromaticContact CD2-CD2 3.35Å; Y18-W85 HydrophobicContact CD2-CD2 3.35Å; Y18-W85 AromaticContact CD2-CE2 3.36Å; Y18-W85 AromaticContact CD2-CE3 3.73Å; Y18-W85 HydrophobicContact CD2-CE3 3.73Å; Y18-W85 AromaticContact CD2-CG 3.79Å; Y18-W85 HydrophobicContact CD2-CG 3.79Å; Y18-W85 HydrophobicContact CD2-CH2 4.05Å; Y18-W85 AromaticContact CD2-CZ2 3.71Å; Y18-W85 HydrophobicContact CD2-CZ2 3.71Å; Y18-W85 HydrophobicContact CD2-CZ3 4.06Å; Y18-W85 AromaticContact CD2-NE1 3.82Å; Y18-W85 HydrophobicContact CE1-CB 3.66Å; Y18-W85 HydrophobicContact CE1-CD2 4.24Å; Y18-W85 AromaticContact CE1-CG 3.75Å; Y18-W85 HydrophobicContact CE1-CG 3.75Å; Y18-W85 HydrophobicContact CE2-CB 4.35Å; Y18-W85 AromaticContact CE2-CD1 3.44Å; Y18-W85 VanDerWaalsContact CE2-CD1 3.44Å; Y18-W85 AromaticContact CE2-CD2 3.6Å; Y18-W85 HydrophobicContact CE2-CD2 3.6Å; Y18-W85 AromaticContact CE2-CE2 3.5Å; Y18-W85 VanDerWaalsContact CE2-CE2 3.5Å; Y18-W85 HydrophobicContact CE2-CE3 4.41Å; Y18-W85 AromaticContact CE2-CG 3.53Å; Y18-W85 HydrophobicContact CE2-CG 3.53Å; Y18-W85 HydrophobicContact CE2-CZ2 4.19Å; Y18-W85 AromaticContact CE2-NE1 3.41Å; Y18-W85 HydrophobicContact CG-CB 4.45Å; Y18-W85 AromaticContact CG-CD2 3.59Å; Y18-W85 HydrophobicContact CG-CD2 3.59Å; Y18-W85 AromaticContact CG-CE3 3.56Å; Y18-W85 HydrophobicContact CG-CE3 3.56Å; Y18-W85 HydrophobicContact CG-CG 4.01Å; Y18-W85 HydrophobicContact CG-CH2 4.44Å; Y18-W85 HydrophobicContact CG-CZ2 4.47Å; Y18-W85 HydrophobicContact CG-CZ3 4.02Å; Y18-W85 AromaticContact CZ-CD1 3.54Å; Y18-W85 AromaticContact CZ-CG 3.5Å; Y18-W85 VanDerWaalsContact CZ-CG 3.5Å
19K92Very high96Very high155 Ų15545.6 Ų45.667%0.67424%0.235SC*.THydrogen-bonded Turntrans42.851.5-179.9-66.9179.2174.4162.40112.6I21K19-I21 PolarHBondContact O-N 3.47Å
20T93.4Very high96.4Very high134 Ų13442 Ų4282%0.82221%0.207SC*.THydrogen-bonded Turntrans67.6318072.10000117.4Y18Y18-T20 PolarHBondContact O-N 3.24Å; Y18-T20 VanDerWaalsContact O-N 3.13Å
21I94.8Very high96.3Very high97 Ų9744.9 Ų44.950%0.49722%0.222SC..EExtended strand (participates in β ladder)trans-108.3131.4177.6-58.3173.4000109.8Y18 K19 P62Y18-I21 PolarHBondContact N-O 3.13Å; Y18-I21 PolarHBondContact O-N 3.36Å; K19-I21 PolarHBondContact O-N 3.47Å; I21-P62 HydrophobicContact CG2-CG 3.78Å
22W97.8Very high96.3Very high86 Ų8646.7 Ų46.733%0.32623%0.231SC..EExtended strand (participates in β ladder)trans-83.5138.7169.4-72.697.8000109.9R2 E15 V16 L17R2-W22 HydrophobicContact CB-CH2 3.77Å; R2-W22 HydrophobicContact CB-CZ3 3.77Å; R2-W22 HydrophobicContact CG-CD2 4.48Å; R2-W22 HydrophobicContact CG-CE3 3.78Å; R2-W22 HydrophobicContact CG-CH2 3.79Å; R2-W22 HydrophobicContact CG-CZ2 4.48Å; R2-W22 HydrophobicContact CG-CZ3 3.4Å; E15-W22 HydrophobicContact CB-CE3 4.06Å; E15-W22 WeakPolarHBondContact O-CZ3 3.2Å; V16-W22 WeakPolarHBondContact O-CA 3.23Å; L17-W22 HydrophobicContact CB-CD2 4.1Å; L17-W22 HydrophobicContact CB-CE3 3.99Å; L17-W22 HydrophobicContact CB-CH2 3.94Å; L17-W22 HydrophobicContact CB-CZ2 4.03Å; L17-W22 HydrophobicContact CB-CZ3 3.9Å; L17-W22 HydrophobicContact CD1-CD2 4.05Å; L17-W22 HydrophobicContact CD1-CG 4.08Å; L17-W22 HydrophobicContact CD1-CZ2 4.46Å; L17-W22 HydrophobicContact CD2-CZ2 4.25Å; L17-W22 HydrophobicContact CG-CZ2 4.49Å
23G97.9Very high96.1Very high1 Ų148.7 Ų48.71%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-152.2167.3173.600000111.7E15 V16 P62 L64E15-G23 CarbonylContact C-O 3.58Å; E15-G23 WeakPolarHBondContact CA-O 3.06Å; E15-G23 WeakPolarHBondContact CB-O 2.98Å; V16-G23 PolarHBondContact N-O 2.95Å; V16-G23 PolarHBondContact O-N 3.21Å; V16-G23 VanDerWaalsContact O-N 3.07Å; G23-P62 CarbonylContact C-O 3.48Å; G23-P62 WeakPolarHBondContact CA-O 3.44Å; G23-L64 VanDerWaalsContact N-CD1 3.35Å
24T98.4Very high96Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-85.7175.1-174.859.70000111.8E15 P62 I63 L64 H92 D95E15-T24 HydrophobicContact CG-CG2 4.07Å; T24-P62 PolarHBondContact N-O 2.9Å; T24-I63 WeakPolarHBondContact OG1-CG1 3.36Å; T24-L64 PolarHBondContact O-N 2.8Å; T24-H92 PolarHBondContact OG1-ND1 2.61Å; T24-D95 WeakPolarHBondContact CB-OD1 3.4Å; T24-D95 PolarHBondContact OG1-OD1 3.43Å
25V98.4Very high95.9Very high0 Ų048.1 Ų48.10%024%0.242CC..EExtended strand (participates in β ladder)trans-121.2132.4177.5-178.50000107.1V14 V16 W30 L65 V68 L77 A96V14-V25 HydrophobicContact CB-CG2 4.44Å; V14-V25 HydrophobicContact CG1-CG2 3.94Å; V16-V25 HydrophobicContact CG1-CG2 3.99Å; V16-V25 HydrophobicContact CG2-CG2 4.19Å; V25-W30 HydrophobicContact CG1-CE3 4.01Å; V25-W30 HydrophobicContact CG1-CH2 4.41Å; V25-W30 HydrophobicContact CG1-CZ3 3.66Å; V25-L65 HydrophobicContact CB-CB 4.5Å; V25-L65 HydrophobicContact CG1-CB 4Å; V25-L65 HydrophobicContact CG2-CB 4.25Å; V25-L65 HydrophobicContact CG2-CD1 4.31Å; V25-V68 HydrophobicContact CG1-CG2 3.91Å; V25-L77 HydrophobicContact CG2-CD1 4.15Å; V25-A96 HydrophobicContact CB-CB 4.38Å; V25-A96 HydrophobicContact CG1-CB 4.45Å; V25-A96 WeakPolarHBondContact O-CB 3.18Å; V25-A96 PolarHBondContact O-N 3.33Å
26C98.4Very high95.7Very high0 Ų050 Ų500%025%0.252CS..BIsolated β-bridgetrans-71.2154.3174.8-173.70000111.5I63 L65 D66 C90 E94C26-I63 HydrophobicContact CB-CG2 4.21Å; C26-L65 PolarHBondContact N-O 2.97Å; C26-D66 HydrophobicContact CB-CB 4.12Å; C26-D66 WeakPolarHBondContact CB-OD1 3.07Å; C26-D66 PolarHBondContact SG-OD1 2.81Å; C26-C90 HydrophobicContact CB-CB 3.7Å; C26-C90 WeakPolarHBondContact CB-SG 3.43Å; C26-C90 WeakPolarHBondContact SG-CB 3.46Å; C26-C90 CovalentContact SG-SG 2.01Å; C26-C90 PolarHBondContact SG-SG 3.38Å; C26-E94 CarbonylContact C-O 3.41Å; C26-E94 WeakPolarHBondContact CA-O 3.47Å
27D97.9Very high95.6Very high18 Ų1849.9 Ų49.910%0.09625%0.252CS..  trans-93.4-0.6-177.971.3-6.3000114.9D29 W30 T52 Q53 E94 A96D27-D29 PolarHBondContact O-N 3.34Å; D27-W30 HydrophobicContact CB-CB 4.09Å; D27-W30 WeakPolarHBondContact O-CB 3.34Å; D27-W30 PolarHBondContact O-N 3.49Å; D27-T52 HydrophobicContact CB-CG2 3.9Å; D27-T52 WeakPolarHBondContact OD2-CA 3.11Å; D27-T52 WeakPolarHBondContact OD2-CB 3.33Å; D27-Q53 PolarHBondContact OD2-N 2.91Å; D27-E94 VanDerWaalsContact CB-O 3.28Å; D27-E94 WeakPolarHBondContact CB-O 3.37Å; D27-E94 VanDerWaalsContact CG-O 3.23Å; D27-E94 PolarHBondContact N-O 3.32Å; D27-E94 VanDerWaalsContact OD1-CB 3.23Å; D27-E94 WeakPolarHBondContact OD1-CB 3.36Å; D27-A96 HydrophobicContact CB-CB 4.12Å
28D97.3Very high95.7Very high56 Ų5645.5 Ų45.530%0.29923%0.229SC..THydrogen-bonded Turntrans-59.4125.8167.4-86.44.2000109.6W30D28-W30 PolarHBondContact O-N 3.31Å; D28-W30 VanDerWaalsContact O-N 3.16Å
29D94.3Very high95.6Very high91 Ų9142.3 Ų42.349%0.48722%0.217SC..THydrogen-bonded Turntrans56.620.6-171.1-57.3-47.1000114.8D27 D31 N34 N67D27-D29 PolarHBondContact O-N 3.34Å; D29-D31 PolarHBondContact O-N 3.31Å; D29-D31 VanDerWaalsContact O-N 3.12Å; D29-N34 PolarHBondContact O-ND2 3.09Å; D29-N67 PolarHBondContact OD2-ND2 3.5Å
30W97.7Very high95.5Very high15 Ų1540.2 Ų40.26%0.05720%0.204CC..  trans-76.6102.3-179.2-170.2-106.5000113.7V14 V25 D27 D28 N34 V38 V68 L77 A96 G97 V98V14-W30 HydrophobicContact CG1-CH2 4.45Å; V14-W30 HydrophobicContact CG2-CH2 4.34Å; V14-W30 HydrophobicContact CG2-CZ2 3.9Å; V25-W30 HydrophobicContact CG1-CE3 4.01Å; V25-W30 HydrophobicContact CG1-CH2 4.41Å; V25-W30 HydrophobicContact CG1-CZ3 3.66Å; D27-W30 HydrophobicContact CB-CB 4.09Å; D27-W30 WeakPolarHBondContact O-CB 3.34Å; D27-W30 PolarHBondContact O-N 3.49Å; D28-W30 PolarHBondContact O-N 3.31Å; D28-W30 VanDerWaalsContact O-N 3.16Å; W30-N34 HydrophobicContact CD2-CB 4.13Å; W30-N34 HydrophobicContact CE3-CB 3.75Å; W30-N34 HydrophobicContact CH2-CB 3.98Å; W30-N34 HydrophobicContact CZ2-CB 4.36Å; W30-N34 HydrophobicContact CZ3-CB 3.68Å; W30-V38 HydrophobicContact CH2-CG2 3.77Å; W30-V38 HydrophobicContact CZ2-CG2 4.15Å; W30-V68 HydrophobicContact CZ3-CB 4.4Å; W30-L77 HydrophobicContact CH2-CD1 3.85Å; W30-L77 HydrophobicContact CH2-CD2 4.12Å; W30-L77 HydrophobicContact CZ3-CD1 4.13Å; W30-L77 HydrophobicContact CZ3-CD2 4.24Å; W30-A96 HydrophobicContact CB-CB 4.41Å; W30-A96 HydrophobicContact CD2-CB 3.54Å; W30-A96 HydrophobicContact CE3-CB 4.03Å; W30-A96 HydrophobicContact CG-CB 3.69Å; W30-A96 HydrophobicContact CZ2-CB 4.27Å; W30-G97 PolarHBondContact NE1-O 2.03Å; W30-V98 HydrophobicContact CZ2-CG1 3.76Å
31D90.9Very high95.4Very high70 Ų7036 Ų3637%0.37418%0.183SC..  trans-121.7-174.1-17275.11.9000114.7D29 P33 N34 A35 A50D29-D31 PolarHBondContact O-N 3.31Å; D29-D31 VanDerWaalsContact O-N 3.12Å; D31-P33 VanDerWaalsContact CG-CD 3.4Å; D31-P33 WeakPolarHBondContact OD1-CB 3.41Å; D31-P33 VanDerWaalsContact OD1-CD 3.24Å; D31-P33 WeakPolarHBondContact OD1-CD 3.46Å; D31-P33 WeakPolarHBondContact OD2-CD 3.28Å; D31-P33 WeakPolarHBondContact OD2-CG 3.28Å; D31-N34 PolarHBondContact N-ND2 3.44Å; D31-N34 PolarHBondContact O-N 3.16Å; D31-N34 VanDerWaalsContact OD1-CG 3.23Å; D31-N34 PolarHBondContact OD1-N 3.5Å; D31-N34 PolarHBondContact OD1-ND2 3.09Å; D31-A35 PolarHBondContact O-N 3.02Å; D31-A50 WeakPolarHBondContact O-CB 3.44Å
32M94.2Very high95.1Very high74 Ų7433.6 Ų33.637%0.36517%0.171SC..Hα-helixtrans-66.7-42.3-179.2-75.7-61.8-63.600114.1N34 A35 N36 A47 A50M32-N34 VanDerWaalsContact C-N 3.32Å; M32-N34 PolarHBondContact O-N 2.74Å; M32-A35 PolarHBondContact O-N 3.23Å; M32-N36 WeakPolarHBondContact O-CB 3.1Å; M32-N36 PolarHBondContact O-N 3.15Å; M32-N36 PolarHBondContact O-ND2 3.2Å; M32-N36 VanDerWaalsContact O-ND2 3.08Å; M32-A47 HydrophobicContact CE-CB 3.82Å; M32-A47 WeakPolarHBondContact CE-O 3.49Å; M32-A50 HydrophobicContact SD-CB 4.39Å
33P92.6Very high94.6Very high42 Ų4231 Ų3127%0.27317%0.171SC..Hα-helixtrans-48.7-48.4166.9-30.631.9000114D31 N36 V37 C70D31-P33 VanDerWaalsContact CG-CD 3.4Å; D31-P33 WeakPolarHBondContact OD1-CB 3.41Å; D31-P33 VanDerWaalsContact OD1-CD 3.24Å; D31-P33 WeakPolarHBondContact OD1-CD 3.46Å; D31-P33 WeakPolarHBondContact OD2-CD 3.28Å; D31-P33 WeakPolarHBondContact OD2-CG 3.28Å; P33-N36 WeakPolarHBondContact O-CB 3.02Å; P33-N36 PolarHBondContact O-N 3.19Å; P33-V37 PolarHBondContact O-N 3.24Å; P33-C70 HydrophobicContact CB-CB 4.46Å; P33-C70 WeakPolarHBondContact CB-O 3.49Å
34N96.2Very high94Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-61.2-49.1176.8-64.7-20.4000111.8D29 W30 D31 M32 N36 V37 V38 V68 C70D29-N34 PolarHBondContact O-ND2 3.09Å; W30-N34 HydrophobicContact CD2-CB 4.13Å; W30-N34 HydrophobicContact CE3-CB 3.75Å; W30-N34 HydrophobicContact CH2-CB 3.98Å; W30-N34 HydrophobicContact CZ2-CB 4.36Å; W30-N34 HydrophobicContact CZ3-CB 3.68Å; D31-N34 PolarHBondContact N-ND2 3.44Å; D31-N34 PolarHBondContact O-N 3.16Å; D31-N34 VanDerWaalsContact OD1-CG 3.23Å; D31-N34 PolarHBondContact OD1-N 3.5Å; D31-N34 PolarHBondContact OD1-ND2 3.09Å; M32-N34 VanDerWaalsContact C-N 3.32Å; M32-N34 PolarHBondContact O-N 2.74Å; N34-N36 VanDerWaalsContact C-N 3.26Å; N34-N36 PolarHBondContact O-N 3.02Å; N34-V37 PolarHBondContact O-N 2.69Å; N34-V38 PolarHBondContact O-N 2.99Å; N34-V68 PolarHBondContact ND2-O 3.02Å; N34-V68 PolarHBondContact OD1-O 3.33Å; N34-C70 WeakPolarHBondContact OD1-CB 3.3Å; N34-C70 PolarHBondContact OD1-N 2.64Å; N34-C70 PolarHBondContact OD1-SG 3.49Å
35A96.5Very high93.4Very high0 Ų031.9 Ų31.90%018%0.179CC..Hα-helixtrans-60.2-36.6177.800000112.3D31 M32 V38 C39 A47 A50 V98D31-A35 PolarHBondContact O-N 3.02Å; M32-A35 PolarHBondContact O-N 3.23Å; A35-V38 PolarHBondContact O-N 2.86Å; A35-C39 WeakPolarHBondContact O-CB 3.45Å; A35-C39 PolarHBondContact O-N 3.02Å; A35-C39 PolarHBondContact O-SG 3.36Å; A35-C39 VanDerWaalsContact O-SG 3.32Å; A35-A47 HydrophobicContact CB-CB 3.64Å; A35-A50 HydrophobicContact CB-CB 3.94Å; A35-V98 HydrophobicContact CB-CG1 3.74Å
36N92.8Very high92.7Very high50 Ų5035.7 Ų35.727%0.26720%0.204SC..Hα-helixtrans-64.3-40.5177.5-86.5-46.7000112.2M32 P33 N34 V38 C39 R40 A47M32-N36 WeakPolarHBondContact O-CB 3.1Å; M32-N36 PolarHBondContact O-N 3.15Å; M32-N36 PolarHBondContact O-ND2 3.2Å; M32-N36 VanDerWaalsContact O-ND2 3.08Å; P33-N36 WeakPolarHBondContact O-CB 3.02Å; P33-N36 PolarHBondContact O-N 3.19Å; N34-N36 VanDerWaalsContact C-N 3.26Å; N34-N36 PolarHBondContact O-N 3.02Å; N36-V38 VanDerWaalsContact C-N 3.34Å; N36-C39 PolarHBondContact O-N 2.87Å; N36-R40 WeakPolarHBondContact O-CB 3.37Å; N36-R40 PolarHBondContact O-N 3.31Å; N36-A47 HydrophobicContact CB-CB 4.49Å; N36-A47 WeakPolarHBondContact OD1-CB 3.09Å; N36-A47 PolarHBondContact OD1-N 2.97Å
37V96.2Very high92.3Very high0 Ų036.3 Ų36.30%021%0.209CC..Hα-helixtrans-59.8-46.8174.11690000110.4P33 N34 R40 A41 C70 E74 L77P33-V37 PolarHBondContact O-N 3.24Å; N34-V37 PolarHBondContact O-N 2.69Å; V37-R40 PolarHBondContact O-N 2.64Å; V37-A41 WeakPolarHBondContact O-CB 3.21Å; V37-A41 PolarHBondContact O-N 2.8Å; V37-C70 HydrophobicContact CG2-CB 3.8Å; V37-E74 HydrophobicContact CG1-CB 4.24Å; V37-E74 WeakPolarHBondContact CG1-O 3.49Å; V37-E74 HydrophobicContact CG2-CB 3.98Å; V37-E74 WeakPolarHBondContact CG2-OE2 3.5Å; V37-L77 HydrophobicContact CB-CD2 4.21Å; V37-L77 HydrophobicContact CG1-CD2 3.96Å; V37-L77 HydrophobicContact CG1-CG 4.43Å
38V96.7Very high91.9Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-60.8-52.6176.8179.20000111.5V1 V14 W30 N34 A35 N36 R40 A41 L42 L77 V98V1-V38 HydrophobicContact CG1-CG1 4.29Å; V1-V38 HydrophobicContact CG2-CG1 4Å; V1-V38 HydrophobicContact CG2-CG2 4.4Å; V14-V38 HydrophobicContact CG1-CG1 4.33Å; V14-V38 HydrophobicContact CG1-CG2 4.02Å; V14-V38 HydrophobicContact CG2-CG1 4.15Å; V14-V38 HydrophobicContact CG2-CG2 4.34Å; W30-V38 HydrophobicContact CH2-CG2 3.77Å; W30-V38 HydrophobicContact CZ2-CG2 4.15Å; N34-V38 PolarHBondContact O-N 2.99Å; A35-V38 PolarHBondContact O-N 2.86Å; N36-V38 VanDerWaalsContact C-N 3.34Å; V38-R40 PolarHBondContact O-N 2.84Å; V38-A41 PolarHBondContact O-N 3.12Å; V38-A41 VanDerWaalsContact O-N 3.13Å; V38-L42 HydrophobicContact CG1-CD1 3.79Å; V38-L42 HydrophobicContact CG1-CG 4.25Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 3.47Å; V38-L77 HydrophobicContact CG2-CD1 3.61Å; V38-L77 HydrophobicContact CG2-CD2 3.81Å; V38-L77 HydrophobicContact CG2-CG 3.78Å; V38-V98 HydrophobicContact CB-CG1 4.1Å; V38-V98 HydrophobicContact CG1-CG1 4.18Å; V38-V98 HydrophobicContact CG1-CG2 3.81Å; V38-V98 HydrophobicContact CG2-CG1 4.41Å
39C93.4Very high91.5Very high0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-61.5-33.5-177.8-70.80000112.3A35 N36 G43 C44 G45 A47 C100A35-C39 WeakPolarHBondContact O-CB 3.45Å; A35-C39 PolarHBondContact O-N 3.02Å; A35-C39 PolarHBondContact O-SG 3.36Å; A35-C39 VanDerWaalsContact O-SG 3.32Å; N36-C39 PolarHBondContact O-N 2.87Å; C39-G43 PolarHBondContact O-N 2.85Å; C39-C44 PolarHBondContact O-N 3.03Å; C39-G45 CarbonylContact C-O 3.54Å; C39-G45 VanDerWaalsContact CB-O 3.23Å; C39-G45 WeakPolarHBondContact CB-O 3.48Å; C39-A47 HydrophobicContact CB-CB 4.33Å; C39-C100 WeakPolarHBondContact CA-SG 2.95Å; C39-C100 HydrophobicContact CB-CB 3.67Å; C39-C100 WeakPolarHBondContact CB-SG 3.18Å; C39-C100 VanDerWaalsContact SG-CA 3.5Å; C39-C100 WeakPolarHBondContact SG-CB 3.23Å; C39-C100 CovalentContact SG-SG 2.03Å; C39-C100 PolarHBondContact SG-SG 2.85Å
40R89.6Confident91.6Very high110 Ų11036 Ų3642%0.41521%0.212SC..Hα-helixtrans-70.8-44.6174.1-169.4172.171.4154.828.8112.3N36 V37 V38 L42 G43 T73 E74N36-R40 WeakPolarHBondContact O-CB 3.37Å; N36-R40 PolarHBondContact O-N 3.31Å; V37-R40 PolarHBondContact O-N 2.64Å; V38-R40 PolarHBondContact O-N 2.84Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.69Å; R40-G43 PolarHBondContact O-N 3.37Å; R40-T73 PolarHBondContact NH1-O 3.08Å; R40-T73 PolarHBondContact NH2-O 3.09Å; R40-E74 PolarHBondContact NH2-O 3.17Å
41A90.8Very high91.5Very high45 Ų4537.9 Ų37.937%0.37222%0.221SC..Hα-helixtrans-61.9-36.4176.600000112.3V1 V37 V38 G43 S75V1-A41 HydrophobicContact CG1-CB 3.68Å; V37-A41 WeakPolarHBondContact O-CB 3.21Å; V37-A41 PolarHBondContact O-N 2.8Å; V38-A41 PolarHBondContact O-N 3.12Å; V38-A41 VanDerWaalsContact O-N 3.13Å; A41-G43 PolarHBondContact O-N 3.26Å; A41-S75 WeakPolarHBondContact CB-O 3.49Å
42L89.6Confident91.8Very high48 Ų4837.5 Ų37.525%0.25122%0.221SC..THydrogen-bonded Turntrans-73.5-11.7172.9-65.2172.2000113.5V1 V3 V38 R40 C44V1-L42 HydrophobicContact CG1-CD2 4.01Å; V1-L42 HydrophobicContact CG1-CG 4.12Å; V3-L42 HydrophobicContact CG1-CD1 3.72Å; V3-L42 HydrophobicContact CG2-CD1 4.07Å; V38-L42 HydrophobicContact CG1-CD1 3.79Å; V38-L42 HydrophobicContact CG1-CG 4.25Å; V38-L42 VanDerWaalsContact O-CG 3.31Å; V38-L42 WeakPolarHBondContact O-CG 3.37Å; V38-L42 PolarHBondContact O-N 3.47Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 2.69Å; L42-C44 VanDerWaalsContact C-N 3.28Å; L42-C44 HydrophobicContact CB-CB 4.28Å; L42-C44 PolarHBondContact O-N 3.18Å
43G86.4Confident91.9Very high31 Ų3141.5 Ų41.532%0.3224%0.239SC..THydrogen-bonded Turntrans7024.4-173.800000113.5C39 R40 A41 K103C39-G43 PolarHBondContact O-N 2.85Å; R40-G43 PolarHBondContact O-N 3.37Å; A41-G43 PolarHBondContact O-N 3.26Å; G43-K103 VanDerWaalsContact O-CB 3.23Å; G43-K103 WeakPolarHBondContact O-CB 3.02Å; G43-K103 WeakPolarHBondContact O-CD 3.49Å; G43-K103 WeakPolarHBondContact O-CG 3.41Å
44C85Confident92.1Very high4 Ų440 Ų403%0.02723%0.231CC..  trans-98.49.7-175.1-67.90000114.1C10 C39 L42 C100 R102 K103C10-C44 WeakPolarHBondContact CA-SG 3.25Å; C10-C44 HydrophobicContact CB-CB 3.59Å; C10-C44 WeakPolarHBondContact CB-SG 3.12Å; C10-C44 WeakPolarHBondContact SG-CB 3.24Å; C10-C44 CovalentContact SG-SG 2.03Å; C10-C44 PolarHBondContact SG-SG 3.33Å; C39-C44 PolarHBondContact O-N 3.03Å; L42-C44 VanDerWaalsContact C-N 3.28Å; L42-C44 HydrophobicContact CB-CB 4.28Å; L42-C44 PolarHBondContact O-N 3.18Å; C44-C100 HydrophobicContact CB-CB 3.51Å; C44-R102 CarbonylContact O-C 3.47Å; C44-R102 WeakPolarHBondContact O-CA 3.23Å; C44-R102 PolarHBondContact O-N 2.84Å; C44-K103 VanDerWaalsContact C-N 3.26Å; C44-K103 PolarHBondContact O-N 2.67Å; C44-K103 VanDerWaalsContact O-N 3.07Å
45G85.8Confident92.1Very high15 Ų1545.9 Ų45.916%0.15526%0.256CS..  trans85.9-160177.500000111.4C39C39-G45 CarbonylContact C-O 3.54Å; C39-G45 VanDerWaalsContact CB-O 3.23Å; C39-G45 WeakPolarHBondContact CB-O 3.48Å
46P84.9Confident92.1Very high81 Ų8147 Ų4753%0.52626%0.261SS..SBendtrans-68.6155177.528.8-34.2000111.5A101P46-A101 HydrophobicContact CG-CB 3.9Å; P46-A101 WeakPolarHBondContact O-CB 3.13Å; P46-A101 PolarHBondContact O-N 3.41Å
47A89Confident92.2Very high12 Ų1246.1 Ų46.110%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-70141.1169.400000110.7M32 A35 N36 C39M32-A47 HydrophobicContact CE-CB 3.82Å; M32-A47 WeakPolarHBondContact CE-O 3.49Å; A35-A47 HydrophobicContact CB-CB 3.64Å; N36-A47 HydrophobicContact CB-CB 4.49Å; N36-A47 WeakPolarHBondContact OD1-CB 3.09Å; N36-A47 PolarHBondContact OD1-N 2.97Å; C39-A47 HydrophobicContact CB-CB 4.33Å
48I90.8Very high92.3Very high110 Ų11053.9 Ų53.956%0.56429%0.294SS*.EExtended strand (participates in β ladder)trans-96.9-38.5169-66.5176.9000109.7I99 A101I48-I99 WeakPolarHBondContact CA-O 3.03Å; I48-I99 HydrophobicContact CB-CG2 4.34Å; I48-I99 PolarHBondContact N-O 2.97Å; I48-A101 VanDerWaalsContact CD1-CA 3.49Å; I48-A101 HydrophobicContact CD1-CB 3.97Å; I48-A101 HydrophobicContact CG1-CB 3.96Å
49A89Confident92.3Very high21 Ų2154.5 Ų54.517%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-149.9139.3179.900000112.2V98 I99A49-V98 WeakPolarHBondContact O-CA 3.45Å; A49-I99 HydrophobicContact CB-CB 4.22Å; A49-I99 HydrophobicContact CB-CD1 4.44Å; A49-I99 PolarHBondContact N-O 3.39Å; A49-I99 VanDerWaalsContact N-O 3.11Å; A49-I99 PolarHBondContact O-N 3.27Å
50A95Very high92.3Very high27 Ų2759.1 Ų59.122%0.22333%0.333CS..EExtended strand (participates in β ladder)trans-85.9129.5156.500000108.2D31 M32 A35D31-A50 WeakPolarHBondContact O-CB 3.44Å; M32-A50 HydrophobicContact SD-CB 4.39Å; A35-A50 HydrophobicContact CB-CB 3.94Å
51K96.9Very high92.6Very high56 Ų5656.5 Ų56.524%0.24334%0.34CS..EExtended strand (participates in β ladder)trans-113.6139.8-179.6-68-62.2-170.8177.30110F55 F56 G97 I99K51-F55 HydrophobicContact CB-CB 3.9Å; K51-F55 HydrophobicContact CB-CD1 4.39Å; K51-F55 HydrophobicContact CB-CG 4.24Å; K51-F55 HydrophobicContact CD-CB 4.43Å; K51-F55 HydrophobicContact CD-CD1 4.07Å; K51-F55 HydrophobicContact CD-CD2 4.17Å; K51-F55 HydrophobicContact CD-CE1 4.39Å; K51-F55 HydrophobicContact CD-CE2 4.49Å; K51-F55 HydrophobicContact CD-CG 3.95Å; K51-F55 HydrophobicContact CG-CB 4.37Å; K51-F55 HydrophobicContact CG-CD1 4Å; K51-F55 HydrophobicContact CG-CG 4.17Å; K51-F56 HydrophobicContact CB-CE2 4.19Å; K51-F56 HydrophobicContact CG-CE2 3.94Å; K51-G97 PolarHBondContact N-O 2.89Å; K51-G97 PolarHBondContact O-N 2.96Å; K51-I99 VanDerWaalsContact CE-CD1 3.49Å; K51-I99 HydrophobicContact CG-CD1 4.41Å; K51-I99 HydrophobicContact CG-CG1 4.35Å
52T97.6Very high93Very high61 Ų6156.9 Ų56.937%0.37434%0.339SS..  trans-122.5179.2-177.361.40000109.3D27 A54 F55D27-T52 HydrophobicContact CB-CG2 3.9Å; D27-T52 WeakPolarHBondContact OD2-CA 3.11Å; D27-T52 WeakPolarHBondContact OD2-CB 3.33Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.22Å; T52-F55 WeakPolarHBondContact O-CB 3.5Å; T52-F55 PolarHBondContact O-N 2.96Å
53Q95.9Very high93.4Very high159 Ų15954.9 Ų54.974%0.74333%0.328SS*.THydrogen-bonded Turntrans55.441.7174.1-59.9-177.3-13.800113.4D27 F55 H93D27-Q53 PolarHBondContact OD2-N 2.91Å; Q53-F55 PolarHBondContact O-N 2.92Å; Q53-F55 VanDerWaalsContact O-N 3.15Å; Q53-H93 CarbonylContact C-O 3.13Å; Q53-H93 WeakPolarHBondContact CA-O 3.43Å
54A95.8Very high93.9Very high11 Ų1154 Ų549%0.09132%0.316CS..THydrogen-bonded Turntrans50.242.4-178.200000112.8T52 F56 G57 Y58 H92 H93 D95T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.22Å; A54-F56 PolarHBondContact O-N 2.69Å; A54-G57 VanDerWaalsContact O-CA 3.28Å; A54-G57 WeakPolarHBondContact O-CA 3.46Å; A54-G57 PolarHBondContact O-N 2.83Å; A54-Y58 HydrophobicContact CB-CD1 3.84Å; A54-Y58 HydrophobicContact CB-CE1 4.13Å; A54-H92 WeakPolarHBondContact CB-O 3.32Å; A54-H93 PolarHBondContact N-O 3.47Å; A54-D95 VanDerWaalsContact CA-O 3.3Å; A54-D95 WeakPolarHBondContact CA-O 3.24Å; A54-D95 HydrophobicContact CB-CB 4.42Å; A54-D95 PolarHBondContact N-O 3.07Å
55F96.9Very high94.6Very high123 Ų12353.9 Ų53.954%0.53932%0.315SS..THydrogen-bonded Turntrans-50.3-33.6-177.8-179-92.2000114.2K51 T52 Q53 G57K51-F55 HydrophobicContact CB-CB 3.9Å; K51-F55 HydrophobicContact CB-CD1 4.39Å; K51-F55 HydrophobicContact CB-CG 4.24Å; K51-F55 HydrophobicContact CD-CB 4.43Å; K51-F55 HydrophobicContact CD-CD1 4.07Å; K51-F55 HydrophobicContact CD-CD2 4.17Å; K51-F55 HydrophobicContact CD-CE1 4.39Å; K51-F55 HydrophobicContact CD-CE2 4.49Å; K51-F55 HydrophobicContact CD-CG 3.95Å; K51-F55 HydrophobicContact CG-CB 4.37Å; K51-F55 HydrophobicContact CG-CD1 4Å; K51-F55 HydrophobicContact CG-CG 4.17Å; T52-F55 WeakPolarHBondContact O-CB 3.5Å; T52-F55 PolarHBondContact O-N 2.96Å; Q53-F55 PolarHBondContact O-N 2.92Å; Q53-F55 VanDerWaalsContact O-N 3.15Å; F55-G57 VanDerWaalsContact C-N 3.32Å
56F96.1Very high95.1Very high24 Ų2453.2 Ų53.211%0.10531%0.308CS..THydrogen-bonded Turntrans-95.518.5177-65.4-75.2000113.3N5 Q11 G12 R13 K51 A54 I99N5-F56 HydrophobicContact CB-CB 4.38Å; N5-F56 WeakPolarHBondContact CB-O 3.22Å; N5-F56 PolarHBondContact ND2-O 3.29Å; Q11-F56 HydrophobicContact CB-CZ 4.18Å; G12-F56 WeakPolarHBondContact O-CD2 3.46Å; R13-F56 HydrophobicContact CB-CB 4.1Å; K51-F56 HydrophobicContact CB-CE2 4.19Å; K51-F56 HydrophobicContact CG-CE2 3.94Å; A54-F56 PolarHBondContact O-N 2.69Å; F56-I99 HydrophobicContact CE2-CG1 4.42Å; F56-I99 HydrophobicContact CZ-CD1 4.34Å; F56-I99 HydrophobicContact CZ-CG1 3.85Å
57G95.9Very high95.7Very high31 Ų3151 Ų5132%0.3229%0.292SS..  trans83.1159.4-173.500000113.5R13 A54 F55R13-G57 PolarHBondContact NH1-O 3.13Å; A54-G57 VanDerWaalsContact O-CA 3.28Å; A54-G57 WeakPolarHBondContact O-CA 3.46Å; A54-G57 PolarHBondContact O-N 2.83Å; F55-G57 VanDerWaalsContact C-N 3.32Å
58Y97.3Very high96.1Very high163 Ų16350.5 Ų50.564%0.63929%0.287SS*.  trans-57.6140.5176.6-51.1-65.3000111.7R13 A54 H92 H93R13-Y58 PolarHBondContact NH1-O 2.79Å; A54-Y58 HydrophobicContact CB-CD1 3.84Å; A54-Y58 HydrophobicContact CB-CE1 4.13Å; Y58-H92 HydrophobicContact CD1-CB 4.28Å; Y58-H92 WeakPolarHBondContact CD1-O 3.41Å; Y58-H93 HydrophobicContact CD1-CB 4.31Å; Y58-H93 VanDerWaalsContact CE1-CA 3.44Å; Y58-H93 HydrophobicContact CE1-CB 3.64Å
59G95.9Very high96.3Very high13 Ų1350.2 Ų50.213%0.13428%0.284CS..  trans-82.1-167.616300000112.1D95G59-D95 VanDerWaalsContact CA-OD2 3.28Å; G59-D95 WeakPolarHBondContact CA-OD2 3.25Å; G59-D95 PolarHBondContact N-OD2 3.06Å
60S94.7Very high96.6Very high96 Ų9649.8 Ų49.867%0.67128%0.279SS*.  trans-150.5149.2-179.562.30000109.6H92S60-H92 WeakPolarHBondContact CA-NE2 3.2Å
61G96.3Very high96.3Very high55 Ų5553.5 Ų53.557%0.56730%0.3SS*.SBendtrans92.8-149.6-18000000111.3H92G61-H92 PolarHBondContact N-NE2 2.85Å; G61-H92 PolarHBondContact O-CE1 2.94Å; G61-H92 PolarHBondContact O-NE2 2.66Å; G61-H92 VanDerWaalsContact O-NE2 3.1Å
62P97.8Very high95.5Very high53 Ų5351.9 Ų51.934%0.34430%0.299SS..  trans-77.3145.1-177.430.7-32.9000112I21 G23 T24 L64I21-P62 HydrophobicContact CG2-CG 3.78Å; G23-P62 CarbonylContact C-O 3.48Å; G23-P62 WeakPolarHBondContact CA-O 3.44Å; T24-P62 PolarHBondContact N-O 2.9Å; P62-L64 HydrophobicContact CB-CD2 4.1Å; P62-L64 HydrophobicContact CB-CG 4.37Å; P62-L64 HydrophobicContact CG-CD2 4.16Å; P62-L64 HydrophobicContact CG-CG 4.27Å
63I98.3Very high94.8Very high6 Ų654 Ų543%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-88.5120.5159.6-49-177.8000105.9T24 C26 H88 C90T24-I63 WeakPolarHBondContact OG1-CG1 3.36Å; C26-I63 HydrophobicContact CB-CG2 4.21Å; I63-H88 PolarHBondContact O-CD2 3.32Å; I63-H88 VanDerWaalsContact O-CD2 3.24Å; I63-C90 HydrophobicContact CD1-CB 4.13Å; I63-C90 WeakPolarHBondContact CD1-O 3.31Å
64L98.1Very high94.7Very high13 Ų1347.5 Ų47.57%0.06828%0.281CS..EExtended strand (participates in β ladder)trans-101.2-23.6-167.3-74.9177.2000113.8V16 G23 T24 P62 W85 G86V16-L64 HydrophobicContact CG2-CB 3.82Å; V16-L64 HydrophobicContact CG2-CD1 4.04Å; V16-L64 WeakPolarHBondContact O-CD1 3.37Å; G23-L64 VanDerWaalsContact N-CD1 3.35Å; T24-L64 PolarHBondContact O-N 2.8Å; P62-L64 HydrophobicContact CB-CD2 4.1Å; P62-L64 HydrophobicContact CB-CG 4.37Å; P62-L64 HydrophobicContact CG-CD2 4.16Å; P62-L64 HydrophobicContact CG-CG 4.27Å; L64-W85 HydrophobicContact CB-CE3 4.18Å; L64-W85 HydrophobicContact CB-CZ3 4.4Å; L64-W85 WeakPolarHBondContact O-CA 3.35Å; L64-G86 PolarHBondContact O-N 2.94Å
65L97.8Very high94.4Very high1 Ų150.1 Ų50.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-136.7145.5-178.7-67177.4000109.9V16 V25 C26 V68 L77 H82 W85V16-L65 HydrophobicContact CB-CD1 4.48Å; V16-L65 HydrophobicContact CG1-CD1 4.02Å; V16-L65 HydrophobicContact CG2-CD1 3.93Å; V16-L65 HydrophobicContact CG2-CG 4.12Å; V25-L65 HydrophobicContact CB-CB 4.5Å; V25-L65 HydrophobicContact CG1-CB 4Å; V25-L65 HydrophobicContact CG2-CB 4.25Å; V25-L65 HydrophobicContact CG2-CD1 4.31Å; C26-L65 PolarHBondContact N-O 2.97Å; L65-V68 HydrophobicContact CB-CG2 3.78Å; L65-V68 HydrophobicContact CD1-CG2 4.41Å; L65-L77 HydrophobicContact CD1-CB 3.89Å; L65-L77 HydrophobicContact CD1-CD1 4.49Å; L65-H82 HydrophobicContact CD2-CB 4.12Å; L65-W85 HydrophobicContact CD1-CZ3 4.28Å; L65-W85 HydrophobicContact CD2-CD2 4.33Å; L65-W85 HydrophobicContact CD2-CE3 3.84Å; L65-W85 HydrophobicContact CD2-CH2 4.23Å; L65-W85 HydrophobicContact CD2-CZ3 3.78Å; L65-W85 HydrophobicContact CG-CE3 4.29Å; L65-W85 HydrophobicContact CG-CZ3 3.94Å
66D97.9Very high94.1Very high1 Ų146.2 Ų46.21%0.00528%0.283CS..  trans-151.4153.3-179.4-167.39.5000109.4C26 V68 H88 N89 C90C26-D66 HydrophobicContact CB-CB 4.12Å; C26-D66 WeakPolarHBondContact CB-OD1 3.07Å; C26-D66 PolarHBondContact SG-OD1 2.81Å; D66-V68 VanDerWaalsContact C-N 3.26Å; D66-V68 PolarHBondContact O-N 3.07Å; D66-H88 HydrophobicContact CB-CB 3.55Å; D66-H88 WeakPolarHBondContact OD2-CA 3.45Å; D66-H88 VanDerWaalsContact OD2-CB 3.25Å; D66-H88 WeakPolarHBondContact OD2-CB 3.49Å; D66-N89 PolarHBondContact OD2-N 2.84Å; D66-N89 PolarHBondContact OD2-OD1 3.26Å; D66-C90 PolarHBondContact OD1-SG 2.89Å; D66-C90 PolarHBondContact OD2-SG 3.18Å
67N96.6Very high94Very high35 Ų3545.1 Ų45.119%0.18728%0.279CS..SBendtrans4255-171.2-59.987.4000111.3D29 E69 L83D29-N67 PolarHBondContact OD2-ND2 3.5Å; N67-E69 PolarHBondContact O-N 2.97Å; N67-L83 HydrophobicContact CB-CD1 4.29Å; N67-L83 HydrophobicContact CB-CG 4.2Å; N67-L83 WeakPolarHBondContact OD1-CD1 3.49Å
68V97.3Very high93.8Very high1 Ų146.1 Ų46.11%0.00628%0.281CS..  trans-74.2127.2-179.4-177.10000108.1V25 W30 N34 L65 D66 L77 C80 F81 H82V25-V68 HydrophobicContact CG1-CG2 3.91Å; W30-V68 HydrophobicContact CZ3-CB 4.4Å; N34-V68 PolarHBondContact ND2-O 3.02Å; N34-V68 PolarHBondContact OD1-O 3.33Å; L65-V68 HydrophobicContact CB-CG2 3.78Å; L65-V68 HydrophobicContact CD1-CG2 4.41Å; D66-V68 VanDerWaalsContact C-N 3.26Å; D66-V68 PolarHBondContact O-N 3.07Å; V68-L77 HydrophobicContact CG1-CD2 4.17Å; V68-C80 HydrophobicContact CG1-CB 3.86Å; V68-F81 CarbonylContact C-O 3.59Å; V68-F81 WeakPolarHBondContact CA-O 3.37Å; V68-H82 HydrophobicContact CG2-CB 4.43Å
69E95.9Very high93.6Very high105 Ų10543.7 Ų43.749%0.49128%0.275SS..BIsolated β-bridgetrans-128.6101.3176.8-67.1179.4-14200109.8N67 F81N67-E69 PolarHBondContact O-N 2.97Å; E69-F81 HydrophobicContact CB-CB 4.21Å; E69-F81 HydrophobicContact CB-CD1 4.12Å; E69-F81 HydrophobicContact CG-CD1 4.29Å; E69-F81 PolarHBondContact N-O 3.39Å; E69-F81 PolarHBondContact O-N 2.99Å
70C95.6Very high93.6Very high12 Ų1243.4 Ų43.48%0.08127%0.271CS..  trans-95.4145.3175-60.10000111P33 N34 V37 G72 E74 C80P33-C70 HydrophobicContact CB-CB 4.46Å; P33-C70 WeakPolarHBondContact CB-O 3.49Å; N34-C70 WeakPolarHBondContact OD1-CB 3.3Å; N34-C70 PolarHBondContact OD1-N 2.64Å; N34-C70 PolarHBondContact OD1-SG 3.49Å; V37-C70 HydrophobicContact CG2-CB 3.8Å; C70-G72 PolarHBondContact O-N 3.46Å; C70-E74 WeakPolarHBondContact CB-OE2 3.2Å; C70-C80 VanDerWaalsContact CA-SG 3.59Å; C70-C80 HydrophobicContact CB-CB 3.94Å; C70-C80 WeakPolarHBondContact CB-SG 3.17Å; C70-C80 WeakPolarHBondContact SG-CB 3.4Å; C70-C80 CovalentContact SG-SG 2.02Å; C70-C80 PolarHBondContact SG-SG 2.02Å
71T87.1Confident93.7Very high105 Ų10544.6 Ų44.664%0.64427%0.265SS*.  trans-73.2-15163.364.90000112.4T73 E74T71-T73 PolarHBondContact OG1-N 3.12Å; T71-T73 PolarHBondContact OG1-OG1 3.3Å; T71-E74 WeakPolarHBondContact CB-OE1 3.48Å; T71-E74 WeakPolarHBondContact CG2-OE1 3.48Å; T71-E74 PolarHBondContact N-OE1 3.21Å; T71-E74 PolarHBondContact N-OE2 3.19Å; T71-E74 PolarHBondContact OG1-OE1 3.08Å; T71-E74 PolarHBondContact OG1-OE2 3.45Å
72G80.2Confident93.6Very high22 Ų2243.7 Ų43.723%0.22725%0.246CC..SBendtrans92.50.4-176.400000113.5C70 E74C70-G72 PolarHBondContact O-N 3.46Å; G72-E74 PolarHBondContact N-OE2 2.99Å
73T83.8Confident93.2Very high104 Ų10445.4 Ų45.464%0.63825%0.251SS*.  trans-108.2-2.1-177.467.20000114R40 T71R40-T73 PolarHBondContact NH1-O 3.08Å; R40-T73 PolarHBondContact NH2-O 3.09Å; T71-T73 PolarHBondContact OG1-N 3.12Å; T71-T73 PolarHBondContact OG1-OG1 3.3Å
74E94.6Very high93Very high24 Ų2445.8 Ų45.811%0.11226%0.257CS..  trans-77.2142.1-178-60.881.7-178.500112.7V37 R40 C70 T71 G72 Q79V37-E74 HydrophobicContact CG1-CB 4.24Å; V37-E74 WeakPolarHBondContact CG1-O 3.49Å; V37-E74 HydrophobicContact CG2-CB 3.98Å; V37-E74 WeakPolarHBondContact CG2-OE2 3.5Å; R40-E74 PolarHBondContact NH2-O 3.17Å; C70-E74 WeakPolarHBondContact CB-OE2 3.2Å; T71-E74 WeakPolarHBondContact CB-OE1 3.48Å; T71-E74 WeakPolarHBondContact CG2-OE1 3.48Å; T71-E74 PolarHBondContact N-OE1 3.21Å; T71-E74 PolarHBondContact N-OE2 3.19Å; T71-E74 PolarHBondContact OG1-OE1 3.08Å; T71-E74 PolarHBondContact OG1-OE2 3.45Å; G72-E74 PolarHBondContact N-OE2 2.99Å; E74-Q79 HydrophobicContact CB-CB 4.06Å; E74-Q79 HydrophobicContact CG-CB 4.18Å
75S88.1Confident93Very high66 Ų6648.7 Ų48.746%0.46227%0.267SS..SBendtrans-79.1-22.5-174.662.20000114.4A41 Q79A41-S75 WeakPolarHBondContact CB-O 3.49Å; S75-Q79 PolarHBondContact OG-NE2 2.83Å; S75-Q79 PolarHBondContact OG-OE1 2.88Å
76D90.2Very high92.9Very high40 Ų4050.5 Ų50.521%0.21429%0.286CS..SBendtrans-152.3157.5174.7-172.2-83.2000108.2V1 S78 Q79V1-D76 PolarHBondContact N-OD2 2.93Å; V1-D76 VanDerWaalsContact N-OD2 3.17Å; D76-S78 PolarHBondContact O-N 3.22Å; D76-S78 PolarHBondContact OD1-N 3.23Å; D76-S78 PolarHBondContact OD1-OG 2.63Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.77Å; D76-Q79 VanDerWaalsContact O-N 3.09Å
77L94.6Very high92.8Very high1 Ų156.2 Ų56.21%0.00531%0.312CS..G310 helixtrans-60.3-24.9-179.5-67.5178.8000113.1V14 V16 V25 W30 V37 V38 L65 V68 Q79 C80V14-L77 HydrophobicContact CG1-CD1 3.89Å; V16-L77 HydrophobicContact CG1-CB 4.38Å; V16-L77 HydrophobicContact CG1-CD1 3.94Å; V25-L77 HydrophobicContact CG2-CD1 4.15Å; W30-L77 HydrophobicContact CH2-CD1 3.85Å; W30-L77 HydrophobicContact CH2-CD2 4.12Å; W30-L77 HydrophobicContact CZ3-CD1 4.13Å; W30-L77 HydrophobicContact CZ3-CD2 4.24Å; V37-L77 HydrophobicContact CB-CD2 4.21Å; V37-L77 HydrophobicContact CG1-CD2 3.96Å; V37-L77 HydrophobicContact CG1-CG 4.43Å; V38-L77 HydrophobicContact CG2-CD1 3.61Å; V38-L77 HydrophobicContact CG2-CD2 3.81Å; V38-L77 HydrophobicContact CG2-CG 3.78Å; L65-L77 HydrophobicContact CD1-CB 3.89Å; L65-L77 HydrophobicContact CD1-CD1 4.49Å; V68-L77 HydrophobicContact CG1-CD2 4.17Å; L77-Q79 PolarHBondContact O-N 3.05Å; L77-Q79 VanDerWaalsContact O-N 3.08Å; L77-C80 WeakPolarHBondContact O-CB 3.2Å; L77-C80 PolarHBondContact O-N 2.92Å; L77-C80 VanDerWaalsContact O-N 3.12Å
78S91.4Very high92.8Very high52 Ų5258.1 Ų58.136%0.36432%0.32SS..G310 helixtrans-63.7-11.217670.90000114.7D76D76-S78 PolarHBondContact O-N 3.22Å; D76-S78 PolarHBondContact OD1-N 3.23Å; D76-S78 PolarHBondContact OD1-OG 2.63Å
79Q93.3Very high92.7Very high112 Ų11264.2 Ų64.252%0.52335%0.353SS..G310 helixtrans-100.9-11.8179.1-68.1171.1-2.500112.6E74 S75 D76 L77E74-Q79 HydrophobicContact CB-CB 4.06Å; E74-Q79 HydrophobicContact CG-CB 4.18Å; S75-Q79 PolarHBondContact OG-NE2 2.83Å; S75-Q79 PolarHBondContact OG-OE1 2.88Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.77Å; D76-Q79 VanDerWaalsContact O-N 3.09Å; L77-Q79 PolarHBondContact O-N 3.05Å; L77-Q79 VanDerWaalsContact O-N 3.08Å
80C95.8Very high92.8Very high7 Ų759.8 Ų59.85%0.04733%0.333CS..SBendtrans-75.7162.1174.1-56.10000109.8V68 C70 L77 H82V68-C80 HydrophobicContact CG1-CB 3.86Å; C70-C80 VanDerWaalsContact CA-SG 3.59Å; C70-C80 HydrophobicContact CB-CB 3.94Å; C70-C80 WeakPolarHBondContact CB-SG 3.17Å; C70-C80 WeakPolarHBondContact SG-CB 3.4Å; C70-C80 CovalentContact SG-SG 2.02Å; C70-C80 PolarHBondContact SG-SG 2.02Å; L77-C80 WeakPolarHBondContact O-CB 3.2Å; L77-C80 PolarHBondContact O-N 2.92Å; L77-C80 VanDerWaalsContact O-N 3.12Å; C80-H82 PolarHBondContact O-CD2 2.94Å; C80-H82 VanDerWaalsContact O-CD2 3.26Å
81F96.4Very high92.9Very high122 Ų12260.5 Ų60.554%0.53534%0.342SS..BIsolated β-bridgetrans-64141.4169174.6-94.9000109.4V68 E69V68-F81 CarbonylContact C-O 3.59Å; V68-F81 WeakPolarHBondContact CA-O 3.37Å; E69-F81 HydrophobicContact CB-CB 4.21Å; E69-F81 HydrophobicContact CB-CD1 4.12Å; E69-F81 HydrophobicContact CG-CD1 4.29Å; E69-F81 PolarHBondContact N-O 3.39Å; E69-F81 PolarHBondContact O-N 2.99Å
82H95.1Very high93.4Very high36 Ų3657.8 Ų57.817%0.16732%0.322CS..  trans-164.2156.8176.355.960.6000109L65 V68 C80 G84L65-H82 HydrophobicContact CD2-CB 4.12Å; V68-H82 HydrophobicContact CG2-CB 4.43Å; C80-H82 PolarHBondContact O-CD2 2.94Å; C80-H82 VanDerWaalsContact O-CD2 3.26Å; H82-G84 PolarHBondContact ND1-N 2.78Å; H82-G84 PolarHBondContact O-N 3.11Å; H82-G84 VanDerWaalsContact O-N 3.09Å
83L90.1Very high94.3Very high89 Ų8961.9 Ų61.947%0.46634%0.335SS..SBendtrans-66.3-14.7-176.4-64.4178.2000114.6N67 Q87N67-L83 HydrophobicContact CB-CD1 4.29Å; N67-L83 HydrophobicContact CB-CG 4.2Å; N67-L83 WeakPolarHBondContact OD1-CD1 3.49Å; L83-Q87 HydrophobicContact CB-CB 4.43Å; L83-Q87 PolarHBondContact O-NE2 3.17Å
84G94.1Very high95Very high14 Ų1459.1 Ų59.114%0.14432%0.315CS..  trans124159.9178.500000111.7H82 G86 Q87H82-G84 PolarHBondContact ND1-N 2.78Å; H82-G84 PolarHBondContact O-N 3.11Å; H82-G84 VanDerWaalsContact O-N 3.09Å; G84-G86 PolarHBondContact O-N 3.25Å; G84-Q87 PolarHBondContact O-N 2.9Å; G84-Q87 VanDerWaalsContact O-N 3.13Å
85W96.4Very high95.2Very high73 Ų7358 Ų5828%0.27731%0.31SS..THydrogen-bonded Turntrans-62.5121-174.5-6499000112.5V16 Y18 L64 L65 Q87V16-W85 HydrophobicContact CG2-CZ3 3.99Å; Y18-W85 HydrophobicContact CD1-CB 3.99Å; Y18-W85 HydrophobicContact CD1-CD2 4.04Å; Y18-W85 HydrophobicContact CD1-CE3 4.14Å; Y18-W85 AromaticContact CD1-CG 4Å; Y18-W85 HydrophobicContact CD1-CG 4Å; Y18-W85 AromaticContact CD2-CD2 3.35Å; Y18-W85 HydrophobicContact CD2-CD2 3.35Å; Y18-W85 AromaticContact CD2-CE2 3.36Å; Y18-W85 AromaticContact CD2-CE3 3.73Å; Y18-W85 HydrophobicContact CD2-CE3 3.73Å; Y18-W85 AromaticContact CD2-CG 3.79Å; Y18-W85 HydrophobicContact CD2-CG 3.79Å; Y18-W85 HydrophobicContact CD2-CH2 4.05Å; Y18-W85 AromaticContact CD2-CZ2 3.71Å; Y18-W85 HydrophobicContact CD2-CZ2 3.71Å; Y18-W85 HydrophobicContact CD2-CZ3 4.06Å; Y18-W85 AromaticContact CD2-NE1 3.82Å; Y18-W85 HydrophobicContact CE1-CB 3.66Å; Y18-W85 HydrophobicContact CE1-CD2 4.24Å; Y18-W85 AromaticContact CE1-CG 3.75Å; Y18-W85 HydrophobicContact CE1-CG 3.75Å; Y18-W85 HydrophobicContact CE2-CB 4.35Å; Y18-W85 AromaticContact CE2-CD1 3.44Å; Y18-W85 VanDerWaalsContact CE2-CD1 3.44Å; Y18-W85 AromaticContact CE2-CD2 3.6Å; Y18-W85 HydrophobicContact CE2-CD2 3.6Å; Y18-W85 AromaticContact CE2-CE2 3.5Å; Y18-W85 VanDerWaalsContact CE2-CE2 3.5Å; Y18-W85 HydrophobicContact CE2-CE3 4.41Å; Y18-W85 AromaticContact CE2-CG 3.53Å; Y18-W85 HydrophobicContact CE2-CG 3.53Å; Y18-W85 HydrophobicContact CE2-CZ2 4.19Å; Y18-W85 AromaticContact CE2-NE1 3.41Å; Y18-W85 HydrophobicContact CG-CB 4.45Å; Y18-W85 AromaticContact CG-CD2 3.59Å; Y18-W85 HydrophobicContact CG-CD2 3.59Å; Y18-W85 AromaticContact CG-CE3 3.56Å; Y18-W85 HydrophobicContact CG-CE3 3.56Å; Y18-W85 HydrophobicContact CG-CG 4.01Å; Y18-W85 HydrophobicContact CG-CH2 4.44Å; Y18-W85 HydrophobicContact CG-CZ2 4.47Å; Y18-W85 HydrophobicContact CG-CZ3 4.02Å; Y18-W85 AromaticContact CZ-CD1 3.54Å; Y18-W85 AromaticContact CZ-CG 3.5Å; Y18-W85 VanDerWaalsContact CZ-CG 3.5Å; L64-W85 HydrophobicContact CB-CE3 4.18Å; L64-W85 HydrophobicContact CB-CZ3 4.4Å; L64-W85 WeakPolarHBondContact O-CA 3.35Å; L65-W85 HydrophobicContact CD1-CZ3 4.28Å; L65-W85 HydrophobicContact CD2-CD2 4.33Å; L65-W85 HydrophobicContact CD2-CE3 3.84Å; L65-W85 HydrophobicContact CD2-CH2 4.23Å; L65-W85 HydrophobicContact CD2-CZ3 3.78Å; L65-W85 HydrophobicContact CG-CE3 4.29Å; L65-W85 HydrophobicContact CG-CZ3 3.94Å; W85-Q87 PolarHBondContact O-N 3.13Å
86G95.6Very high95.7Very high39 Ų3954.9 Ų54.940%0.40229%0.288SS..THydrogen-bonded Turntrans71.710.3179.800000114.6L64 G84L64-G86 PolarHBondContact O-N 2.94Å; G84-G86 PolarHBondContact O-N 3.25Å
87Q96.7Very high96Very high121 Ų12153 Ų5357%0.56528%0.279SS*.  trans-94.3106.1171.5-66.8-174.258.800108.3L83 G84 W85L83-Q87 HydrophobicContact CB-CB 4.43Å; L83-Q87 PolarHBondContact O-NE2 3.17Å; G84-Q87 PolarHBondContact O-N 2.9Å; G84-Q87 VanDerWaalsContact O-N 3.13Å; W85-Q87 PolarHBondContact O-N 3.13Å
88H96Very high96.2Very high75 Ų7553 Ų5335%0.34728%0.279SS..  trans-154.1158.8-179.969.990.4000110.3I63 D66 C90I63-H88 PolarHBondContact O-CD2 3.32Å; I63-H88 VanDerWaalsContact O-CD2 3.24Å; D66-H88 HydrophobicContact CB-CB 3.55Å; D66-H88 WeakPolarHBondContact OD2-CA 3.45Å; D66-H88 VanDerWaalsContact OD2-CB 3.25Å; D66-H88 WeakPolarHBondContact OD2-CB 3.49Å; H88-C90 PolarHBondContact CE1-O 3.31Å; H88-C90 PolarHBondContact ND1-N 3.45Å; H88-C90 PolarHBondContact ND1-O 2.88Å
89N95.9Very high96.2Very high130 Ų13052.2 Ų52.270%0.69527%0.27SS*.  trans-107.70166.863.3-13.8000112.5D66D66-N89 PolarHBondContact OD2-N 2.84Å; D66-N89 PolarHBondContact OD2-OD1 3.26Å
90C97.6Very high96.1Very high11 Ų1147.2 Ų47.27%0.07425%0.247CC..  trans-76.5160.2-175.6-50.30000114.8C26 I63 D66 H88 E94C26-C90 HydrophobicContact CB-CB 3.7Å; C26-C90 WeakPolarHBondContact CB-SG 3.43Å; C26-C90 WeakPolarHBondContact SG-CB 3.46Å; C26-C90 CovalentContact SG-SG 2.01Å; C26-C90 PolarHBondContact SG-SG 3.38Å; I63-C90 HydrophobicContact CD1-CB 4.13Å; I63-C90 WeakPolarHBondContact CD1-O 3.31Å; D66-C90 PolarHBondContact OD1-SG 2.89Å; D66-C90 PolarHBondContact OD2-SG 3.18Å; H88-C90 PolarHBondContact CE1-O 3.31Å; H88-C90 PolarHBondContact ND1-N 3.45Å; H88-C90 PolarHBondContact ND1-O 2.88Å; C90-E94 WeakPolarHBondContact CA-OE2 3.43Å; C90-E94 HydrophobicContact CB-CB 4.05Å; C90-E94 VanDerWaalsContact CB-OE2 3.28Å; C90-E94 WeakPolarHBondContact CB-OE2 3Å
91G97.9Very high95.1Very high27 Ų2748.7 Ų48.728%0.27826%0.26SS..  trans-114.5166.216200000111.4H93 E94G91-H93 PolarHBondContact O-N 3.22Å; G91-H93 PolarHBondContact O-ND1 3.39Å; G91-E94 PolarHBondContact N-OE2 2.93Å; G91-E94 WeakPolarHBondContact O-CB 3.33Å; G91-E94 PolarHBondContact O-N 2.91Å
92H98.4Very high93.9Very high48 Ų4845.4 Ų45.422%0.22224%0.244CC..G310 helixtrans-57.2-16.2-174.2-77.1-51.8000116T24 A54 Y58 S60 G61 E94 D95T24-H92 PolarHBondContact OG1-ND1 2.61Å; A54-H92 WeakPolarHBondContact CB-O 3.32Å; Y58-H92 HydrophobicContact CD1-CB 4.28Å; Y58-H92 WeakPolarHBondContact CD1-O 3.41Å; S60-H92 WeakPolarHBondContact CA-NE2 3.2Å; G61-H92 PolarHBondContact N-NE2 2.85Å; G61-H92 PolarHBondContact O-CE1 2.94Å; G61-H92 PolarHBondContact O-NE2 2.66Å; G61-H92 VanDerWaalsContact O-NE2 3.1Å; H92-E94 PolarHBondContact O-N 2.93Å; H92-D95 IonicContact CG-OD2 3.57Å; H92-D95 IonicContact ND1-OD1 2.84Å; H92-D95 PolarHBondContact ND1-OD1 3.49Å; H92-D95 VanDerWaalsContact ND1-OD1 3.09Å; H92-D95 IonicContact ND1-OD2 3.28Å; H92-D95 PolarHBondContact ND1-OD2 3.11Å; H92-D95 WeakPolarHBondContact O-CB 3.17Å; H92-D95 PolarHBondContact O-N 2.72Å; H92-D95 VanDerWaalsContact O-N 3.11Å
93H97.8Very high91.9Very high108 Ų10850 Ų5050%0.526%0.263SS..G310 helixtrans-62.1-11.9168.868.5-39.9000115.7Q53 A54 Y58 G91Q53-H93 CarbonylContact C-O 3.13Å; Q53-H93 WeakPolarHBondContact CA-O 3.43Å; A54-H93 PolarHBondContact N-O 3.47Å; Y58-H93 HydrophobicContact CD1-CB 4.31Å; Y58-H93 VanDerWaalsContact CE1-CA 3.44Å; Y58-H93 HydrophobicContact CE1-CB 3.64Å; G91-H93 PolarHBondContact O-N 3.22Å; G91-H93 PolarHBondContact O-ND1 3.39Å
94E98.3Very high89.8Confident46 Ų4647.4 Ų47.422%0.21525%0.251CS..G310 helixtrans-108.716.5178.3-68.5159133.300110.3C26 D27 C90 G91 H92 A96C26-E94 CarbonylContact C-O 3.41Å; C26-E94 WeakPolarHBondContact CA-O 3.47Å; D27-E94 VanDerWaalsContact CB-O 3.28Å; D27-E94 WeakPolarHBondContact CB-O 3.37Å; D27-E94 VanDerWaalsContact CG-O 3.23Å; D27-E94 PolarHBondContact N-O 3.32Å; D27-E94 VanDerWaalsContact OD1-CB 3.23Å; D27-E94 WeakPolarHBondContact OD1-CB 3.36Å; C90-E94 WeakPolarHBondContact CA-OE2 3.43Å; C90-E94 HydrophobicContact CB-CB 4.05Å; C90-E94 VanDerWaalsContact CB-OE2 3.28Å; C90-E94 WeakPolarHBondContact CB-OE2 3Å; G91-E94 PolarHBondContact N-OE2 2.93Å; G91-E94 WeakPolarHBondContact O-CB 3.33Å; G91-E94 PolarHBondContact O-N 2.91Å; H92-E94 PolarHBondContact O-N 2.93Å; E94-A96 PolarHBondContact O-N 3.28Å
95D98.6Very high87.2Confident1 Ų151.9 Ų51.91%0.00528%0.28CS..BIsolated β-bridgetrans-67.2122.4178.3-73.1-26.2000111.3R13 T24 A54 G59 H92R13-D95 HydrophobicContact CG-CB 4.03Å; T24-D95 WeakPolarHBondContact CB-OD1 3.4Å; T24-D95 PolarHBondContact OG1-OD1 3.43Å; A54-D95 VanDerWaalsContact CA-O 3.3Å; A54-D95 WeakPolarHBondContact CA-O 3.24Å; A54-D95 HydrophobicContact CB-CB 4.42Å; A54-D95 PolarHBondContact N-O 3.07Å; G59-D95 VanDerWaalsContact CA-OD2 3.28Å; G59-D95 WeakPolarHBondContact CA-OD2 3.25Å; G59-D95 PolarHBondContact N-OD2 3.06Å; H92-D95 IonicContact CG-OD2 3.57Å; H92-D95 IonicContact ND1-OD1 2.84Å; H92-D95 PolarHBondContact ND1-OD1 3.49Å; H92-D95 VanDerWaalsContact ND1-OD1 3.09Å; H92-D95 IonicContact ND1-OD2 3.28Å; H92-D95 PolarHBondContact ND1-OD2 3.11Å; H92-D95 WeakPolarHBondContact O-CB 3.17Å; H92-D95 PolarHBondContact O-N 2.72Å; H92-D95 VanDerWaalsContact O-N 3.11Å
96A98.6Very high84.4Confident0 Ų050.9 Ų50.90%029%0.285CS..  trans-72.9151.6-179.400000113.3R13 V14 V25 D27 W30 E94R13-A96 WeakPolarHBondContact CA-O 3.01Å; V14-A96 PolarHBondContact N-O 2.03Å; V25-A96 HydrophobicContact CB-CB 4.38Å; V25-A96 HydrophobicContact CG1-CB 4.45Å; V25-A96 WeakPolarHBondContact O-CB 3.18Å; V25-A96 PolarHBondContact O-N 3.33Å; D27-A96 HydrophobicContact CB-CB 4.12Å; W30-A96 HydrophobicContact CB-CB 4.41Å; W30-A96 HydrophobicContact CD2-CB 3.54Å; W30-A96 HydrophobicContact CE3-CB 4.03Å; W30-A96 HydrophobicContact CG-CB 3.69Å; W30-A96 HydrophobicContact CZ2-CB 4.27Å; E94-A96 PolarHBondContact O-N 3.28Å
97G98.3Very high81.6Confident2 Ų255.6 Ų55.62%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-138.9167.4179.200000113.1G12 W30 K51G12-G97 CarbonylContact O-C 3.48Å; G12-G97 VanDerWaalsContact O-CA 3.24Å; G12-G97 WeakPolarHBondContact O-CA 3.03Å; W30-G97 PolarHBondContact NE1-O 2.03Å; K51-G97 PolarHBondContact N-O 2.89Å; K51-G97 PolarHBondContact O-N 2.96Å
98V97.7Very high78.6Confident0 Ų055.2 Ų55.20%030%0.296CS..EExtended strand (participates in β ladder)trans-136153.3174.8-63.20000112.4V3 Q11 G12 V14 W30 A35 V38 A49V3-V98 HydrophobicContact CG1-CG2 3.73Å; Q11-V98 CarbonylContact C-O 3.45Å; Q11-V98 WeakPolarHBondContact CA-O 3.32Å; Q11-V98 WeakPolarHBondContact CB-O 3.42Å; G12-V98 PolarHBondContact N-O 2.85Å; G12-V98 PolarHBondContact O-N 3.1Å; V14-V98 HydrophobicContact CG2-CB 4.4Å; V14-V98 HydrophobicContact CG2-CG1 3.74Å; V14-V98 HydrophobicContact CG2-CG2 4.04Å; W30-V98 HydrophobicContact CZ2-CG1 3.76Å; A35-V98 HydrophobicContact CB-CG1 3.74Å; V38-V98 HydrophobicContact CB-CG1 4.1Å; V38-V98 HydrophobicContact CG1-CG1 4.18Å; V38-V98 HydrophobicContact CG1-CG2 3.81Å; V38-V98 HydrophobicContact CG2-CG1 4.41Å; A49-V98 WeakPolarHBondContact O-CA 3.45Å
99I91.9Very high75.7Confident35 Ų3553.8 Ų53.818%0.17930%0.301CS..EExtended strand (participates in β ladder)trans-124.3122.3161.2-58.1176.2000107.5Q11 I48 A49 K51 F56Q11-I99 HydrophobicContact CB-CB 4.37Å; Q11-I99 HydrophobicContact CB-CG1 4.14Å; Q11-I99 HydrophobicContact CB-CG2 4.39Å; I48-I99 WeakPolarHBondContact CA-O 3.03Å; I48-I99 HydrophobicContact CB-CG2 4.34Å; I48-I99 PolarHBondContact N-O 2.97Å; A49-I99 HydrophobicContact CB-CB 4.22Å; A49-I99 HydrophobicContact CB-CD1 4.44Å; A49-I99 PolarHBondContact N-O 3.39Å; A49-I99 VanDerWaalsContact N-O 3.11Å; A49-I99 PolarHBondContact O-N 3.27Å; K51-I99 VanDerWaalsContact CE-CD1 3.49Å; K51-I99 HydrophobicContact CG-CD1 4.41Å; K51-I99 HydrophobicContact CG-CG1 4.35Å; F56-I99 HydrophobicContact CE2-CG1 4.42Å; F56-I99 HydrophobicContact CZ-CD1 4.34Å; F56-I99 HydrophobicContact CZ-CG1 3.85Å
100C90.6Very high72.8Confident8 Ų854.2 Ų54.25%0.05430%0.297CS..EExtended strand (participates in β ladder)trans-106156.5-179.5-47.80000112C10 C39 C44 R102C10-C100 HydrophobicContact CB-CB 4.22Å; C10-C100 VanDerWaalsContact O-CB 3.25Å; C10-C100 WeakPolarHBondContact O-CB 3.43Å; C10-C100 PolarHBondContact O-N 3.47Å; C10-C100 PolarHBondContact O-SG 2.88Å; C10-C100 VanDerWaalsContact O-SG 3.33Å; C39-C100 WeakPolarHBondContact CA-SG 2.95Å; C39-C100 HydrophobicContact CB-CB 3.67Å; C39-C100 WeakPolarHBondContact CB-SG 3.18Å; C39-C100 VanDerWaalsContact SG-CA 3.5Å; C39-C100 WeakPolarHBondContact SG-CB 3.23Å; C39-C100 CovalentContact SG-SG 2.03Å; C39-C100 PolarHBondContact SG-SG 2.85Å; C44-C100 HydrophobicContact CB-CB 3.51Å; C100-R102 PolarHBondContact O-N 3.44Å; C100-R102 VanDerWaalsContact O-N 3.11Å
101A74.1Confident69.7Low37 Ų3756.7 Ų56.731%0.30631%0.309SS..  trans-68.3-9.4-179.300000115.4P46 I48P46-A101 HydrophobicContact CG-CB 3.9Å; P46-A101 WeakPolarHBondContact O-CB 3.13Å; P46-A101 PolarHBondContact O-N 3.41Å; I48-A101 VanDerWaalsContact CD1-CA 3.49Å; I48-A101 HydrophobicContact CD1-CB 3.97Å; I48-A101 HydrophobicContact CG1-CB 3.96Å
102R71.7Confident66.5Low54 Ų5459.4 Ų59.420%0.20432%0.324CS..  trans61.2130.2-164.8-67.5178.763.1150.6-14.7111.5C10 C44 C100 T104 P135C10-R102 HydrophobicContact CB-CG 3.5Å; C44-R102 CarbonylContact O-C 3.47Å; C44-R102 WeakPolarHBondContact O-CA 3.23Å; C44-R102 PolarHBondContact O-N 2.84Å; C100-R102 PolarHBondContact O-N 3.44Å; C100-R102 VanDerWaalsContact O-N 3.11Å; R102-T104 WeakPolarHBondContact O-CG2 3.31Å; R102-T104 PolarHBondContact O-N 2.81Å; R102-P135 VanDerWaalsContact NE-CA 3.28Å; R102-P135 VanDerWaalsContact NH1-C 3.28Å; R102-P135 VanDerWaalsContact NH1-CA 3.29Å; R102-P135 PolarHBondContact NH1-O 2.66Å; R102-P135 PolarHBondContact NH2-O 3.2Å
103K53.8Low63.5Low132 Ų13267.8 Ų67.857%0.57435%0.353SS*.  trans-66.7109.9166.3-87.5-172.1-166.6171.20106.2G43 C44 S105G43-K103 VanDerWaalsContact O-CB 3.23Å; G43-K103 WeakPolarHBondContact O-CB 3.02Å; G43-K103 WeakPolarHBondContact O-CD 3.49Å; G43-K103 WeakPolarHBondContact O-CG 3.41Å; C44-K103 VanDerWaalsContact C-N 3.26Å; C44-K103 PolarHBondContact O-N 2.67Å; C44-K103 VanDerWaalsContact O-N 3.07Å; K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 3.07Å
104T44.8Very low60.2Low34 Ų3471.3 Ų71.321%0.20936%0.363CS..  trans-7499.9166.264.30000101.8R102 S106 L131 C133R102-T104 WeakPolarHBondContact O-CG2 3.31Å; R102-T104 PolarHBondContact O-N 2.81Å; T104-S106 PolarHBondContact O-N 2.79Å; T104-L131 PolarHBondContact OG1-O 2.72Å; T104-C133 HydrophobicContact CG2-CB 3.96Å; T104-C133 WeakPolarHBondContact CG2-O 3.29Å
105S39.5Very low56.8Low109 Ų10972.5 Ų72.576%0.76237%0.374SS*.  trans-55.698.6168.4-76.50000104.8K103 F107K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 3.07Å; S105-F107 PolarHBondContact O-N 3.31Å
106S38.4Very low53.4Low52 Ų5281.5 Ų81.536%0.36441%0.413SS..  trans-58.1129.5175.367.20000104.6T104 L108 G109T104-S106 PolarHBondContact O-N 2.79Å; S106-L108 PolarHBondContact O-N 2.82Å; S106-G109 PolarHBondContact O-N 2.92Å; S106-G109 PolarHBondContact OG-N 2.83Å
107F37Very low50.1Low138 Ų13886.1 Ų86.161%0.60544%0.441SS*.Hα-helixtrans-47.8-29176.1-164.1-104.8000111.2S105 L111S105-F107 PolarHBondContact O-N 3.31Å; F107-L111 HydrophobicContact CD1-CD1 3.72Å; F107-L111 HydrophobicContact CD1-CG 4.47Å; F107-L111 HydrophobicContact CE1-CD1 3.85Å; F107-L111 WeakPolarHBondContact O-CG 3.41Å; F107-L111 PolarHBondContact O-N 3.12Å
108L34.4Very low46.7Very low113 Ų11394.2 Ų94.259%0.59248%0.478SS*.Hα-helixtrans-66.3-37.4174.6-68.6164.1000115.3S106 F110 L111 S112S106-L108 PolarHBondContact O-N 2.82Å; L108-F110 VanDerWaalsContact C-N 3.32Å; L108-F110 PolarHBondContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 3.27Å; L108-S112 PolarHBondContact O-N 2.75Å
109G33.9Very low43.4Very low44 Ų44100.3 Ų100.345%0.45451%0.509SS..Hα-helixtrans-70.4-29.1178.200000113.3S106S106-G109 PolarHBondContact O-N 2.92Å; S106-G109 PolarHBondContact OG-N 2.83Å
110F36.5Very low40.2Very low139 Ų139101.8 Ų101.861%0.6152%0.522SS*.Hα-helixtrans-72.8-42.7172-171.2-99.4000111.1L108 S112 R113 Y114L108-F110 VanDerWaalsContact C-N 3.32Å; L108-F110 PolarHBondContact O-N 3.08Å; F110-S112 VanDerWaalsContact C-N 3.34Å; F110-S112 PolarHBondContact O-N 3.43Å; F110-R113 PolarHBondContact O-N 2.89Å; F110-Y114 HydrophobicContact CZ-CE2 4.46Å
111L30.5Very low37.3Very low63 Ų63106.9 Ų106.933%0.3356%0.555SS.*Hα-helixtrans-65.6-31.8177.6-71.4170.3000113.2F107 L108 R113 Y114 V115F107-L111 HydrophobicContact CD1-CD1 3.72Å; F107-L111 HydrophobicContact CD1-CG 4.47Å; F107-L111 HydrophobicContact CE1-CD1 3.85Å; F107-L111 WeakPolarHBondContact O-CG 3.41Å; F107-L111 PolarHBondContact O-N 3.12Å; L108-L111 PolarHBondContact O-N 3.27Å; L111-R113 PolarHBondContact O-N 3.12Å; L111-R113 VanDerWaalsContact O-N 3.13Å; L111-Y114 PolarHBondContact O-N 3.49Å; L111-V115 WeakPolarHBondContact O-CA 3.34Å; L111-V115 PolarHBondContact O-N 2.88Å
112S31.6Very low35.1Very low85 Ų85109.7 Ų109.759%0.59457%0.573SS**THydrogen-bonded Turntrans-63.4-18.4-179.2-176.70000115.1L108 F110 V115L108-S112 PolarHBondContact O-N 2.75Å; F110-S112 VanDerWaalsContact C-N 3.34Å; F110-S112 PolarHBondContact O-N 3.43Å; S112-V115 WeakPolarHBondContact CA-O 3.14Å
113R34.7Very low33.3Very low223 Ų223110.5 Ų110.584%0.84258%0.584SS**THydrogen-bonded Turntrans-81.5-21.5174.3-76.3-176.6-154.6-132.60.1113.4F110 L111F110-R113 PolarHBondContact O-N 2.89Å; L111-R113 PolarHBondContact O-N 3.12Å; L111-R113 VanDerWaalsContact O-N 3.13Å
114Y30.1Very low32.4Very low182 Ų182112.4 Ų112.471%0.71460%0.595SS**THydrogen-bonded Turntrans-115.6-19.3-174.9-63.5-82.8000112.5F110 L111F110-Y114 HydrophobicContact CZ-CE2 4.46Å; L111-Y114 PolarHBondContact O-N 3.49Å
115V26.6Very low31.6Very low72 Ų72115.2 Ų115.244%0.43662%0.616SS.*SBendtrans-136118.8-178.2-175.30000109.4L111 S112 V117L111-V115 WeakPolarHBondContact O-CA 3.34Å; L111-V115 PolarHBondContact O-N 2.88Å; S112-V115 WeakPolarHBondContact CA-O 3.14Å; V115-V117 HydrophobicContact CG1-CG2 3.92Å; V115-V117 PolarHBondContact O-N 3.36Å
116K26.8Very low31.2Very low189 Ų189118.4 Ų118.482%0.82262%0.616SS**  trans-80.594.9176-150.3176.4-170.4179.80108.9
117V28.8Very low30.6Very low97 Ų97122.7 Ų122.759%0.58864%0.635SS**  trans-89.7111177.7-175.20000108.9V115 I119V115-V117 HydrophobicContact CG1-CG2 3.92Å; V115-V117 PolarHBondContact O-N 3.36Å; V117-I119 HydrophobicContact CG1-CG1 4.01Å
118H26.4Very low30.2Very low172 Ų172121.8 Ų121.880%0.79664%0.642SS**  trans-82.6115.1169.9-97-84.6000109.4
119I29.9Very low29.9Very low128 Ų128121.2 Ų121.266%0.65665%0.654SS**  trans-103.7131.1171-55.9178.5000107.2V117 T123V117-I119 HydrophobicContact CG1-CG1 4.01Å; I119-T123 WeakPolarHBondContact CG2-OG1 3.41Å
120S24.9Very low29.5Very low66 Ų66124.8 Ų124.846%0.46266%0.662SS.*  trans-71.7151.9-177.178.80000111.7S122 T123S120-S122 PolarHBondContact O-N 2.89Å; S120-S122 PolarHBondContact OG-OG 2.86Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 PolarHBondContact O-OG1 2.84Å; S120-T123 VanDerWaalsContact O-OG1 3.06Å
121P28Very low29Very low115 Ų115124.6 Ų124.675%0.74767%0.667SS**G310 helixtrans-63.5-14.4-170.7-20.332000115T123P121-T123 VanDerWaalsContact C-N 3.3Å; P121-T123 PolarHBondContact O-N 2.83Å
122S28.2Very low28.8Very low96 Ų96126.4 Ų126.467%0.67169%0.685SS**G310 helixtrans-80.5-3.1-174.853.70000114.9S120S120-S122 PolarHBondContact O-N 2.89Å; S120-S122 PolarHBondContact OG-OG 2.86Å
123T35.1Very low28.5Very low72 Ų72125.3 Ų125.344%0.44268%0.676SS.*G310 helixtrans-1064.1-17847.80000114.1I119 S120 P121 S125I119-T123 WeakPolarHBondContact CG2-OG1 3.41Å; S120-T123 PolarHBondContact O-N 2.93Å; S120-T123 PolarHBondContact O-OG1 2.84Å; S120-T123 VanDerWaalsContact O-OG1 3.06Å; P121-T123 VanDerWaalsContact C-N 3.3Å; P121-T123 PolarHBondContact O-N 2.83Å; T123-S125 PolarHBondContact O-N 3.01Å
124Q33.7Very low27.9Very low172 Ų172117 Ų11780%0.80465%0.651SS**THydrogen-bonded Turntrans-81.5-9.6-170.8-137.3157.612.900114.5
125S29.1Very low27.8Very low92 Ų92111.8 Ų111.864%0.64364%0.64SS**THydrogen-bonded Turntrans-98.9-0.1-175.152.80000115.7T123T123-S125 PolarHBondContact O-N 3.01Å
126F30.4Very low27.7Very low176 Ų176112.8 Ų112.877%0.77265%0.646SS**SBendtrans-125.224-170.6-74.4-77.9000115.7
127L26.2Very low27.7Very low143 Ų143110 Ų11075%0.74964%0.639SS**  trans-131.598.1176.9-79.8162000112.3
128P28.7Very low27.6Very low118 Ų118113.9 Ų113.977%0.76665%0.651SS**SBendtrans-120.3140.7139.330.1-16.5000110.8
129A27.4Very low27.7Very low102 Ų102111.2 Ų111.284%0.84364%0.642SS**SBendtrans87.729.4156.600000121.2
130L26.7Very low27.6Very low118 Ų118109.5 Ų109.562%0.61864%0.641SS**  trans-126.998.1165.3-72.4167000110
131L26.4Very low27.7Very low135 Ų135108.9 Ų108.971%0.70764%0.636SS**  trans152.170.2152.5-80.2154.1000110.8T104T104-L131 PolarHBondContact OG1-O 2.72Å
132S24.6Very low27.6Very low102 Ų102108 Ų10871%0.71363%0.633SS**  trans-94.1101.6157.9470000110.6
133C25.1Very low27.6Very low61 Ų61108.9 Ų108.941%0.41263%0.629SS.*  trans-61.9130.6162.4-146.90000112.6T104T104-C133 HydrophobicContact CG2-CB 3.96Å; T104-C133 WeakPolarHBondContact CG2-O 3.29Å
134P23.7Very low27.1Very low49 Ų49114.3 Ų114.332%0.31864%0.642SS.*  trans-73.4171.9-175.7-22.837.2000116.4V136P134-V136 PolarHBondContact O-N 3.49Å
135P26.2Very low26.8Very low72 Ų72114.3 Ų114.347%0.46864%0.639SS.*SBendtrans-75.729-165.8-20.635.8000119.4R102R102-P135 VanDerWaalsContact NE-CA 3.28Å; R102-P135 VanDerWaalsContact NH1-C 3.28Å; R102-P135 VanDerWaalsContact NH1-CA 3.29Å; R102-P135 PolarHBondContact NH1-O 2.66Å; R102-P135 PolarHBondContact NH2-O 3.2Å
136V25.1Very low26.7Very low93 Ų93118 Ų11856%0.56465%0.646SS**  trans-133.187.9-168.8-167.20000111.7P134P134-V136 PolarHBondContact O-N 3.49Å
137L26.8Very low26.5Very low130 Ų130116.5 Ų116.568%0.68165%0.645SS**  trans-155.994151.7-101162.6000106
138H27.2Very low26.5Very low180 Ų180115.2 Ų115.283%0.83364%0.639SS**  trans-69.3125155.9-100.9-98.5000107
139D27.8Very low26.2Very low115 Ų115117.4 Ų117.462%0.61564%0.639SS**  trans7487.9158.4-15114.7000119.6S141D139-S141 PolarHBondContact O-N 2.91Å; D139-S141 WeakPolarHBondContact OD1-CB 3.2Å; D139-S141 PolarHBondContact OD1-N 3.45Å; D139-S141 PolarHBondContact OD1-OG 3.04Å; D139-S141 PolarHBondContact OD2-OG 2.96Å
140C29Very low26.3Very low93 Ų93118.2 Ų118.263%0.62864%0.635SS**THydrogen-bonded Turntrans-77.319162-75.80000113.4S142 L143C140-S142 PolarHBondContact O-N 2.85Å; C140-L143 PolarHBondContact O-N 3.35Å
141S26.9Very low26.2Very low53 Ų53118.2 Ų118.237%0.37165%0.645SS.*THydrogen-bonded Turntrans-64.1-27177.165.60000113.1D139 R144D139-S141 PolarHBondContact O-N 2.91Å; D139-S141 WeakPolarHBondContact OD1-CB 3.2Å; D139-S141 PolarHBondContact OD1-N 3.45Å; D139-S141 PolarHBondContact OD1-OG 3.04Å; D139-S141 PolarHBondContact OD2-OG 2.96Å; S141-R144 WeakPolarHBondContact O-CB 3.21Å; S141-R144 PolarHBondContact O-N 2.91Å
142S25.9Very low26.2Very low96 Ų96115.5 Ų115.567%0.67165%0.649SS**THydrogen-bonded Turntrans-71.1-33.2177.5-63.10000113.1C140 R144 K145C140-S142 PolarHBondContact O-N 2.85Å; S142-R144 PolarHBondContact O-N 3.16Å; S142-K145 PolarHBondContact O-N 3.3Å
143L27.7Very low26.5Very low115 Ų115115.6 Ų115.660%0.60265%0.65SS**Hα-helixtrans-70.9-22.2175.2-129.6103.5000112.5C140 K145C140-L143 PolarHBondContact O-N 3.35Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.03Å
144R24.7Very low26.5Very low185 Ų185119.9 Ų119.970%0.69867%0.668SS**Hα-helixtrans-70.6-25.3177.6-165.2176.3-173.8-123.41.3112.4S141 S142 L148S141-R144 WeakPolarHBondContact O-CB 3.21Å; S141-R144 PolarHBondContact O-N 2.91Å; S142-R144 PolarHBondContact O-N 3.16Å; R144-L148 HydrophobicContact CG-CD1 4.12Å; R144-L148 WeakPolarHBondContact O-CD1 3.49Å
145K26.1Very low26.7Very low172 Ų172125.2 Ų125.275%0.74869%0.688SS**Hα-helixtrans-84.4-32.2-175.2-78.3-177.4177.51760114S142 L143S142-K145 PolarHBondContact O-N 3.3Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.03Å
146E27.9Very low26.8Very low171 Ų171129.2 Ų129.280%0.79970%0.701SS**Hα-helixtrans-78-24.5178.7-79.5-167.8150.800114L148E146-L148 VanDerWaalsContact C-N 3.35Å
147L26.5Very low26.9Very low143 Ų143131.2 Ų131.275%0.74971%0.708SS**THydrogen-bonded Turntrans-87.4-1.8177.3-79.9159000113.9
148L26.1Very low26.9Very low117 Ų117130.9 Ų130.961%0.61371%0.711SS**  trans-121.961.9-179.7-78.8164.5000110.6R144 E146R144-L148 HydrophobicContact CG-CD1 4.12Å; R144-L148 WeakPolarHBondContact O-CD1 3.49Å; E146-L148 VanDerWaalsContact C-N 3.35Å
149H22.5Very low26.9Very low164 Ų164131.7 Ų131.776%0.75971%0.712SS**  trans-88.3126.8153.7-89.8-77.5000109.7S151H149-S151 PolarHBondContact O-N 2.92Å; H149-S151 VanDerWaalsContact O-N 3.16Å
150P28.3Very low27.1Very low118 Ų118129.6 Ų129.677%0.76672%0.718SS**SBendtrans-89.581.7-168.534.8-33.2000110.8
151S25.1Very low27Very low119 Ų119130.7 Ų130.783%0.83272%0.717SS**  trans-159.5116.3159.7-750000108.1H149H149-S151 PolarHBondContact O-N 2.92Å; H149-S151 VanDerWaalsContact O-N 3.16Å
152G27.8Very low27.3Very low77 Ų77133.3 Ų133.379%0.79473%0.733SS**  trans-68.7169.1-166.200000115.8
153S30.1Very low27.5Very low104 Ų104139.8 Ų139.873%0.72774%0.743SS**  trans60.6105.2159.4-1590000116.6
154L24.6Very low27.8Very low152 Ų152138.5 Ų138.580%0.79676%0.758SS**  trans-112.681.2153.5-88.8157.1000109.2H156L154-H156 WeakPolarHBondContact CD2-CD2 3.29Å; L154-H156 VanDerWaalsContact CD2-NE2 3.25Å; L154-H156 WeakPolarHBondContact CD2-NE2 3.44Å; L154-H156 PolarHBondContact O-N 2.92Å
155H27.7Very low27.9Very low160 Ų160137.9 Ų137.974%0.74176%0.76SS**  trans-63.4100.2145.1-102.589.9000107.7
156H28.1Very low28Very low157 Ų157138.8 Ų138.873%0.72777%0.767SS**  trans-104.893.3160.5-94.5-139.3000109.3L154 V158L154-H156 WeakPolarHBondContact CD2-CD2 3.29Å; L154-H156 VanDerWaalsContact CD2-NE2 3.25Å; L154-H156 WeakPolarHBondContact CD2-NE2 3.44Å; L154-H156 PolarHBondContact O-N 2.92Å; H156-V158 PolarHBondContact O-N 2.98Å
157N27.4Very low28.1Very low134 Ų134139.5 Ų139.572%0.71777%0.768SS**  trans-81.1101.4171.5-157.1-7.8000107.6K159N157-K159 PolarHBondContact O-N 2.76Å
158V27.8Very low28.1Very low124 Ų124135.4 Ų135.475%0.75275%0.751SS**  trans-86.594.9171.5-178.20000108.1H156 G160H156-V158 PolarHBondContact O-N 2.98Å; V158-G160 PolarHBondContact O-N 3.13Å
159K27.9Very low28.2Very low196 Ų196136.4 Ų136.485%0.85276%0.756SS**  trans-67.6119.1164.2-85.1-177.9174.9178.40108.8N157N157-K159 PolarHBondContact O-N 2.76Å
160G30.9Very low28.5Very low71 Ų71133.8 Ų133.873%0.73275%0.746SS**  trans116.362.9164.100000116.3V158V158-G160 PolarHBondContact O-N 3.13Å
161N27.4Very low28.6Very low116 Ų116132 Ų13262%0.6273%0.73SS**  trans-139.9105.6150.3-172.65.8000109.1
162P32.4Very low28.8Very low109 Ų109133.3 Ų133.371%0.70873%0.727SS**  trans-81.8128.6177.931.2-27.3000109.7
163R30.6Very low28.9Very low231 Ų231132.8 Ų132.887%0.87271%0.71SS**SBendtrans90.1111.1-177.9-53.8178.7-166.4177.34.7113.8K165R163-K165 PolarHBondContact O-N 2.69Å
164G33.1Very low28.8Very low88 Ų88135 Ų13591%0.90771%0.707SS**  trans-49.2113.4-171.200000115
165K28Very low28.8Very low173 Ų173132.9 Ų132.975%0.75271%0.705SS**  trans-102.9115.4156.6-76.5-173.1176.6-178.90108.5R163R163-K165 PolarHBondContact O-N 2.69Å
166Q28.9Very low28.9Very low191 Ų191133 Ų13389%0.89370%0.704SS**PPolyproline II helixtrans-64.8123.3167.1-165.8170.711.400107.7S168Q166-S168 PolarHBondContact O-N 2.93Å
167F28.9Very low29Very low186 Ų186130 Ų13082%0.81670%0.7SS**PPolyproline II helixtrans-66.1126.1170.5-77.2-86000108.5
168S26.6Very low29Very low56 Ų56126.1 Ų126.139%0.39269%0.686SS.*PPolyproline II helixtrans-86.8144.9178.4177.60000109.8Q166 I170 D171Q166-S168 PolarHBondContact O-N 2.93Å; S168-I170 PolarHBondContact O-N 2.69Å; S168-I170 WeakPolarHBondContact OG-CD1 3.33Å; S168-I170 VanDerWaalsContact OG-CG1 3.29Å; S168-I170 WeakPolarHBondContact OG-CG1 3.36Å; S168-I170 PolarHBondContact OG-N 3.12Å; S168-D171 PolarHBondContact O-N 3.03Å
169I28.9Very low29Very low139 Ų139126.5 Ų126.571%0.71368%0.678SS**G310 helixtrans-48-24.1170.1-116.1163000112.6D171 L172 C173I169-D171 PolarHBondContact O-N 3.2Å; I169-L172 PolarHBondContact O-N 3.14Å; I169-C173 PolarHBondContact O-N 2.87Å
170I29.3Very low28.9Very low108 Ų108121 Ų12155%0.55466%0.658SS**G310 helixtrans-59-31.4177-63.9170.2000112.3S168S168-I170 PolarHBondContact O-N 2.69Å; S168-I170 WeakPolarHBondContact OG-CD1 3.33Å; S168-I170 VanDerWaalsContact OG-CG1 3.29Å; S168-I170 WeakPolarHBondContact OG-CG1 3.36Å; S168-I170 PolarHBondContact OG-N 3.12Å
171D29.1Very low28.6Very low82 Ų82123.5 Ų123.544%0.43965%0.649SS.*G310 helixtrans-83.3-21.1-178.4-67.5-39.6000113.3S168 I169 K174S168-D171 PolarHBondContact O-N 3.03Å; I169-D171 PolarHBondContact O-N 3.2Å; D171-K174 IonicContact OD1-NZ 2.83Å; D171-K174 PolarHBondContact OD1-NZ 2.65Å
172L29.8Very low28.5Very low146 Ų146119.2 Ų119.276%0.76463%0.628SS**THydrogen-bonded Turntrans-79-35.3171.4-113.1104.7000112.1I169 K174I169-L172 PolarHBondContact O-N 3.14Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.99Å
173C30.6Very low28.3Very low66 Ų66117 Ų11745%0.44662%0.615SS.*G310 helixtrans-79.1-7.7-177.6-66.90000114.4I169 S175I169-C173 PolarHBondContact O-N 2.87Å; C173-S175 PolarHBondContact O-N 2.05Å
174K26.7Very low28.2Very low149 Ų149110.5 Ų110.565%0.64860%0.603SS**G310 helixtrans-66.9-18.2172.5-78.3170.7-175.2162.40113.2D171 L172D171-K174 IonicContact OD1-NZ 2.83Å; D171-K174 PolarHBondContact OD1-NZ 2.65Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 2.99Å
175S25.7Very low28.1Very low108 Ų108109.4 Ų109.476%0.75558%0.578SS**G310 helixtrans-113.36.5-173.9-60.70000114.7C173C173-S175 PolarHBondContact O-N 2.05Å
176F29.2Very low28.2Very low164 Ų164103.5 Ų103.572%0.71956%0.557SS**  trans-133.7106.8-175.3-131.2-96.4000112.2
177S29.4Very low28.3Very low93 Ų9394.9 Ų94.965%0.6552%0.519SS*.  trans-82.4110.2162-64.50000107.6F179S177-F179 WeakPolarHBondContact O-CD2 3.3Å; S177-F179 PolarHBondContact O-N 2.96Å
178A27.6Very low28.4Very low52 Ų5286.7 Ų86.743%0.4349%0.485SS..  trans-86.1106.8175.900000109.4
179F28Very low28.6Very low132 Ų13286.6 Ų86.658%0.57948%0.48SS*.  trans-86.1115.3175.4-64.8-89.5000109.6S177 F181S177-F179 WeakPolarHBondContact O-CD2 3.3Å; S177-F179 PolarHBondContact O-N 2.96Å; F179-F181 HydrophobicContact CB-CD2 4.3Å; F179-F181 HydrophobicContact CB-CE2 3.68Å; F179-F181 HydrophobicContact CB-CZ 4.16Å
180L26.6Very low28.6Very low81 Ų8184.1 Ų84.142%0.42447%0.471SS..  trans-97.6106171.7-70.3168.8000108.3
181F24.7Very low28.6Very low123 Ų12385.9 Ų85.954%0.53947%0.474SS..  trans-88.5115173.4-66.8-81.5000109.4F179F179-F181 HydrophobicContact CB-CD2 4.3Å; F179-F181 HydrophobicContact CB-CE2 3.68Å; F179-F181 HydrophobicContact CB-CZ 4.16Å
182S25.3Very low28.7Very low26 Ų2687.3 Ų87.318%0.18248%0.482CS..  trans-122.694.1-18051.50000110.9V186S182-V186 VanDerWaalsContact O-CB 3.29Å; S182-V186 WeakPolarHBondContact O-CB 3.43Å; S182-V186 VanDerWaalsContact O-O 3.09Å; S182-V186 WeakPolarHBondContact OG-CB 3.29Å
183S27.7Very low28.6Very low63 Ų6385 Ų8544%0.44148%0.476SS..  trans64.1155.7171.1-163.90000114.8T185 V186S183-T185 PolarHBondContact O-N 2.88Å; S183-T185 PolarHBondContact OG-OG1 3.01Å; S183-V186 PolarHBondContact O-N 2.92Å
184P29Very low28.5Very low95 Ų9588.8 Ų88.862%0.61749%0.492SS*.THydrogen-bonded Turntrans-641175.6-17.930.8000114.9
185T30Very low28.9Very low64 Ų6491.7 Ų91.739%0.39350%0.499SS..THydrogen-bonded Turntrans-120.35.9-170.956.70000113.5S183 L212S183-T185 PolarHBondContact O-N 2.88Å; S183-T185 PolarHBondContact OG-OG1 3.01Å; T185-L212 CarbonylContact C-O 3.53Å
186V31.3Very low29Very low50 Ų5093.8 Ų93.830%0.30351%0.507SS..SBendtrans-144.3120.9175.3-167.60000109S182 S183 A211S182-V186 VanDerWaalsContact O-CB 3.29Å; S182-V186 WeakPolarHBondContact O-CB 3.43Å; S182-V186 VanDerWaalsContact O-O 3.09Å; S182-V186 WeakPolarHBondContact OG-CB 3.29Å; S183-V186 PolarHBondContact O-N 2.92Å; V186-A211 HydrophobicContact CG1-CB 4.42Å; V186-A211 HydrophobicContact CG2-CB 4.14Å
187G29.6Very low29.1Very low10 Ų1088.8 Ų88.810%0.10349%0.49CS..PPolyproline II helixtrans-71.3167.1-179.900000116.3L189 L252G187-L189 PolarHBondContact O-N 3.1Å; G187-L252 WeakPolarHBondContact CA-O 2.99Å
188P31.2Very low29.1Very low14 Ų1487.5 Ų87.59%0.09148%0.481CS..PPolyproline II helixtrans-64.3133.9-179.630.8-33000110.4L252P188-L252 WeakPolarHBondContact CD-O 3.34Å
189L30.7Very low29.2Very low54 Ų5488.6 Ų88.628%0.28349%0.49SS..PPolyproline II helixtrans-80.2124.4171.5-64.1171.6000109.7G187 V209G187-L189 PolarHBondContact O-N 3.1Å; L189-V209 HydrophobicContact CD2-CB 4.21Å; L189-V209 HydrophobicContact CD2-CG1 3.69Å; L189-V209 HydrophobicContact CD2-CG2 4.14Å
190V29.9Very low29.2Very low87 Ų8785.8 Ų85.853%0.52749%0.491SS..PPolyproline II helixtrans-96.4117.2172.1-176.60000109.2A286V190-A286 HydrophobicContact CB-CB 3.7Å; V190-A286 HydrophobicContact CG2-CB 4.09Å
191F28.8Very low29.5Very low144 Ų14485 Ų8563%0.63249%0.488SS*.PPolyproline II helixtrans-85.4126.9175.1-110.9-93.2000111L202F191-L202 HydrophobicContact CZ-CD2 4.26Å
192N30.7Very low29.8Very low113 Ų11383 Ų8360%0.60448%0.482SS*.  trans-99.6113.5171.2-173-24.9000110.2N194N192-N194 VanDerWaalsContact C-N 3.25Å; N192-N194 PolarHBondContact O-N 3.34Å; N192-N194 PolarHBondContact OD1-N 2.77Å
193P28.9Very low30Very low97 Ų9786.4 Ų86.463%0.6350%0.498SS*.THydrogen-bonded Turntrans-75.7-3-170.928.9-33.7000115
194N27.8Very low30Very low145 Ų14592 Ų9278%0.77551%0.51SS*.THydrogen-bonded Turntrans-90.62.2-174.5-73-19.9000115.4N192N192-N194 VanDerWaalsContact C-N 3.25Å; N192-N194 PolarHBondContact O-N 3.34Å; N192-N194 PolarHBondContact OD1-N 2.77Å
195R34.7Very low30.1Very low210 Ų21091 Ų9179%0.79250%0.499SS*.SBendtrans-120.5110.1174-74.6-171.2-172.9-1563.4111.2T197R195-T197 HydrophobicContact CB-CG2 4.41Å; R195-T197 PolarHBondContact O-N 3.39Å
196T27.1Very low30.1Very low152 Ų15297.1 Ų97.193%0.93352%0.516SS*.  trans-58107.916430.30000109
197T32.4Very low30.1Very low60 Ų60104.8 Ų104.837%0.36854%0.54SS..  trans-116.4126.2177.342.80000109.2R195 N201 L205R195-T197 HydrophobicContact CB-CG2 4.41Å; R195-T197 PolarHBondContact O-N 3.39Å; T197-N201 HydrophobicContact CG2-CB 4.13Å; T197-L205 HydrophobicContact CG2-CD1 4.3Å
198S29.4Very low30.3Very low65 Ų65107.9 Ų107.946%0.45556%0.557SS.*  trans-69.2163.2176.662.10000111.3A200 N201 L202S198-A200 PolarHBondContact O-N 2.91Å; S198-A200 VanDerWaalsContact O-N 3.15Å; S198-N201 WeakPolarHBondContact O-CA 3.41Å; S198-N201 VanDerWaalsContact O-CB 3.32Å; S198-N201 WeakPolarHBondContact O-CB 3.43Å; S198-N201 PolarHBondContact O-N 2.79Å; S198-N201 PolarHBondContact OG-ND2 3.04Å; S198-L202 PolarHBondContact O-N 3.28Å; S198-L202 VanDerWaalsContact O-N 3.12Å
199A29.8Very low30.8Very low76 Ų76109.9 Ų109.963%0.62857%0.568SS**Hα-helixtrans-56.8-28.7175.600000113.7N201 L202 N203A199-N201 VanDerWaalsContact C-N 3.31Å; A199-L202 PolarHBondContact O-N 3.35Å; A199-N203 PolarHBondContact O-N 2.81Å
200A28.4Very low31.8Very low72 Ų72107.8 Ų107.860%0.59556%0.56SS**Hα-helixtrans-67.7-30.617100000112.7S198 R204S198-A200 PolarHBondContact O-N 2.91Å; S198-A200 VanDerWaalsContact O-N 3.15Å; A200-R204 PolarHBondContact O-N 2.76Å
201N31.8Very low33.5Very low65 Ų65104.7 Ų104.735%0.34854%0.543SS..Hα-helixtrans-78.4-24.3174-70.2-21.1000112.6T197 S198 A199 R204 L205T197-N201 HydrophobicContact CG2-CB 4.13Å; S198-N201 WeakPolarHBondContact O-CA 3.41Å; S198-N201 VanDerWaalsContact O-CB 3.32Å; S198-N201 WeakPolarHBondContact O-CB 3.43Å; S198-N201 PolarHBondContact O-N 2.79Å; S198-N201 PolarHBondContact OG-ND2 3.04Å; A199-N201 VanDerWaalsContact C-N 3.31Å; N201-R204 CarbonylContact O-C 3.53Å; N201-R204 WeakPolarHBondContact O-CB 2.92Å; N201-R204 PolarHBondContact O-N 2.62Å; N201-L205 VanDerWaalsContact O-CB 3.29Å; N201-L205 WeakPolarHBondContact O-CB 3.14Å; N201-L205 WeakPolarHBondContact O-CD1 3.15Å; N201-L205 VanDerWaalsContact O-CG 3.32Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 2.95Å
202L32.2Very low36.2Very low80 Ų8098.1 Ų98.142%0.41952%0.515SS..Hα-helixtrans-67.2-40.3171.7-83.4158.7000112.3F191 S198 A199 R204 L205 Y206F191-L202 HydrophobicContact CZ-CD2 4.26Å; S198-L202 PolarHBondContact O-N 3.28Å; S198-L202 VanDerWaalsContact O-N 3.12Å; A199-L202 PolarHBondContact O-N 3.35Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 3.34Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.01Å; L202-Y206 PolarHBondContact O-N 3.19Å
203N29.2Very low38.8Very low99 Ų9996.4 Ų96.453%0.52950%0.5SS..Hα-helixtrans-69.1-27.2171.3-78-18.4000112.8A199 R207A199-N203 PolarHBondContact O-N 2.81Å; N203-R207 PolarHBondContact O-N 2.91Å
204R28.1Very low41.8Very low181 Ų18193.4 Ų93.468%0.68348%0.478SS*.Hα-helixtrans-73.4-40171.1-163.7178.5-120.4-103.72111.4A200 N201 L202 R207 T208A200-R204 PolarHBondContact O-N 2.76Å; N201-R204 CarbonylContact O-C 3.53Å; N201-R204 WeakPolarHBondContact O-CB 2.92Å; N201-R204 PolarHBondContact O-N 2.62Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 3.34Å; R204-R207 PolarHBondContact O-N 3.36Å; R204-T208 WeakPolarHBondContact O-CB 3.45Å; R204-T208 PolarHBondContact O-N 2.79Å; R204-T208 VanDerWaalsContact O-N 3.15Å; R204-T208 PolarHBondContact O-OG1 2.84Å
205L29.7Very low44.9Very low73 Ų7387.9 Ų87.938%0.38245%0.45SS..Hα-helixtrans-63.1-41.1174.2-85.7153.4000112T197 N201 L202 R207 T208 V209T197-L205 HydrophobicContact CG2-CD1 4.3Å; N201-L205 VanDerWaalsContact O-CB 3.29Å; N201-L205 WeakPolarHBondContact O-CB 3.14Å; N201-L205 WeakPolarHBondContact O-CD1 3.15Å; N201-L205 VanDerWaalsContact O-CG 3.32Å; N201-L205 WeakPolarHBondContact O-CG 3.44Å; N201-L205 PolarHBondContact O-N 2.95Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.01Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 3.2Å; L205-T208 WeakPolarHBondContact CA-OG1 3.05Å; L205-T208 CarbonylContact O-C 3.58Å; L205-T208 PolarHBondContact O-N 2.99Å; L205-T208 PolarHBondContact O-OG1 2.75Å; L205-V209 PolarHBondContact O-N 3.41Å
206Y31.2Very low47.7Very low193 Ų19382.9 Ų82.976%0.75744%0.439SS*.Hα-helixtrans-70.9-24.4176.4-147.8-95.4000113.4L202 T208L202-Y206 PolarHBondContact O-N 3.19Å; Y206-T208 VanDerWaalsContact C-N 3.35Å
207R31.3Very low50.8Low211 Ų21176.9 Ų76.980%0.79641%0.407SS*.THydrogen-bonded Turntrans-79.4-15.3167.1-87.8-171.7-179.9-159.60.5113.6N203 R204 L205N203-R207 PolarHBondContact O-N 2.91Å; R204-R207 PolarHBondContact O-N 3.36Å; L205-R207 VanDerWaalsContact C-N 3.31Å; L205-R207 PolarHBondContact O-N 3.2Å
208T33.4Very low53.5Low75 Ų7583 Ų8346%0.4643%0.431SS..SBendtrans-117.510-172.643.10000113.7R204 L205 Y206 Q289R204-T208 WeakPolarHBondContact O-CB 3.45Å; R204-T208 PolarHBondContact O-N 2.79Å; R204-T208 VanDerWaalsContact O-N 3.15Å; R204-T208 PolarHBondContact O-OG1 2.84Å; L205-T208 WeakPolarHBondContact CA-OG1 3.05Å; L205-T208 CarbonylContact O-C 3.58Å; L205-T208 PolarHBondContact O-N 2.99Å; L205-T208 PolarHBondContact O-OG1 2.75Å; Y206-T208 VanDerWaalsContact C-N 3.35Å; T208-Q289 PolarHBondContact O-NE2 3.25Å; T208-Q289 VanDerWaalsContact O-NE2 3.1Å; T208-Q289 PolarHBondContact O-OE1 3.36Å
209V40.4Very low56.2Low55 Ų5584.6 Ų84.633%0.33343%0.432SS..SBendtrans-110.1101.4160.9-1750000107.1L189 L205 A211L189-V209 HydrophobicContact CD2-CB 4.21Å; L189-V209 HydrophobicContact CD2-CG1 3.69Å; L189-V209 HydrophobicContact CD2-CG2 4.14Å; L205-V209 PolarHBondContact O-N 3.41Å; V209-A211 PolarHBondContact O-N 3.18Å
210G52.2Low58.8Low11 Ų1189 Ų8911%0.11343%0.432CS..  trans-68.8128.2178.400000108.9Y228G210-Y228 WeakPolarHBondContact CA-O 3.1Å
211A66.1Low61.9Low21 Ų2186.3 Ų86.317%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-58.8142.6171.400000109V186 V209 L227 Y228 W233V186-A211 HydrophobicContact CG1-CB 4.42Å; V186-A211 HydrophobicContact CG2-CB 4.14Å; V209-A211 PolarHBondContact O-N 3.18Å; A211-L227 CarbonylContact O-C 3.59Å; A211-L227 WeakPolarHBondContact O-CA 3.48Å; A211-Y228 PolarHBondContact O-N 3.02Å; A211-W233 HydrophobicContact CB-CH2 4.07Å; A211-W233 WeakPolarHBondContact O-CZ3 3.3Å
212L84.6Confident64.9Low7 Ų784.4 Ų84.44%0.03740%0.398CS..EExtended strand (participates in β ladder)trans-121.8133.4-175.5-177.6151.9000109.6T185 V225 E226 L227 V249 V253 L288T185-L212 CarbonylContact C-O 3.53Å; L212-V225 HydrophobicContact CD1-CG1 4.19Å; L212-V225 HydrophobicContact CG-CG1 4.49Å; L212-E226 WeakPolarHBondContact CA-O 3.23Å; L212-L227 HydrophobicContact CB-CD2 4.03Å; L212-L227 HydrophobicContact CD1-CD2 3.91Å; L212-L227 HydrophobicContact CG-CD2 4.16Å; L212-V249 HydrophobicContact CD1-CG1 4.22Å; L212-V249 HydrophobicContact CD1-CG2 4.18Å; L212-V249 HydrophobicContact CD2-CG1 3.9Å; L212-V253 HydrophobicContact CD2-CG1 3.27Å; L212-L288 HydrophobicContact CD1-CD1 3.78Å; L212-L288 HydrophobicContact CD1-CG 4.19Å
213R85.5Confident68Low77 Ų7780.6 Ų80.629%0.29138%0.378SS..EExtended strand (participates in β ladder)trans-133.5157173.971.3-178.8-178.1179.32.5111.8V215 E226 W233R213-V215 HydrophobicContact CG-CG2 3.68Å; R213-E226 HydrophobicContact CG-CB 3.91Å; R213-E226 IonicContact CZ-OE2 3.09Å; R213-E226 PolarHBondContact N-O 3.47Å; R213-E226 IonicContact NE-OE2 3.8Å; R213-E226 PolarHBondContact NE-OE2 2.84Å; R213-E226 IonicContact NH2-OE2 3.52Å; R213-E226 PolarHBondContact NH2-OE2 3.5Å; R213-E226 PolarHBondContact O-N 3.3Å; R213-W233 HydrophobicContact CB-CH2 4Å; R213-W233 HydrophobicContact CB-CZ3 4.03Å; R213-W233 HydrophobicContact CG-CE3 3.9Å; R213-W233 HydrophobicContact CG-CH2 3.78Å; R213-W233 HydrophobicContact CG-CZ2 4.46Å; R213-W233 HydrophobicContact CG-CZ3 3.47Å; R213-W233 VanDerWaalsContact CG-CZ3 3.47Å
214L92.3Very high71.3Confident33 Ų3376.5 Ų76.517%0.17336%0.355CS..EExtended strand (participates in β ladder)trans-105.6130.6167.6-57-177.8000109E222 R224 V225 V249 V253 V309L214-E222 WeakPolarHBondContact CB-O 3.27Å; L214-R224 WeakPolarHBondContact CA-O 3.42Å; L214-V225 HydrophobicContact CD2-CG2 4.05Å; L214-V249 HydrophobicContact CD2-CG1 3.83Å; L214-V253 HydrophobicContact CD1-CG1 4.43Å; L214-V253 HydrophobicContact CD1-CG2 4.07Å; L214-V253 HydrophobicContact CG-CG1 4.21Å; L214-V309 HydrophobicContact CD1-CG2 3.75Å; L214-V309 HydrophobicContact CD2-CG2 3.59Å; L214-V309 HydrophobicContact CG-CG2 4.34Å
215V93.8Very high74.6Confident29 Ų2967.9 Ų67.918%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-123148.1-174.3-165.40000110.3R213 G217 G223 R224 E226R213-V215 HydrophobicContact CG-CG2 3.68Å; V215-G217 PolarHBondContact O-N 3.36Å; V215-G217 VanDerWaalsContact O-N 3.12Å; V215-G223 CarbonylContact O-C 3.57Å; V215-G223 WeakPolarHBondContact O-CA 3.45Å; V215-R224 PolarHBondContact N-O 2.85Å; V215-R224 PolarHBondContact O-N 2.92Å; V215-E226 HydrophobicContact CG2-CB 4.46Å; V215-E226 HydrophobicContact CG2-CG 4.15Å
216D93.4Very high77.7Confident106 Ų10664.8 Ų64.857%0.56731%0.306SS*.SBendtrans59.821174.4-54.9-39.2000115.7R224 F267D216-R224 IonicContact OD2-CZ 3.33Å; D216-R224 VanDerWaalsContact OD2-CZ 3.28Å; D216-R224 IonicContact OD2-NH1 2.93Å; D216-R224 PolarHBondContact OD2-NH1 3.32Å; D216-R224 IonicContact OD2-NH2 2.86Å; D216-R224 PolarHBondContact OD2-NH2 3.44Å; D216-F267 WeakPolarHBondContact CB-O 3.36Å
217G91.3Very high80.3Confident26 Ų2656 Ų5627%0.26827%0.272SS..  trans-82.4160.116500000112.7V215 H219V215-G217 PolarHBondContact O-N 3.36Å; V215-G217 VanDerWaalsContact O-N 3.12Å; G217-H219 PolarHBondContact O-N 3.27Å
218Q89.4Confident82.4Confident188 Ų18850.4 Ų50.488%0.87925%0.251SS*.SBendtrans-72.1-21.8176.7-52.2-174.84.200112.1E222Q218-E222 WeakPolarHBondContact CA-OE1 3.29Å; Q218-E222 WeakPolarHBondContact CB-OE1 3.33Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.47Å; Q218-E222 PolarHBondContact N-OE1 2.96Å
219H85.5Confident84.1Confident99 Ų9947.9 Ų47.946%0.45824%0.235SC..SBendtrans-146.4171175.158.674.9000112.4G217 C221 E222G217-H219 PolarHBondContact O-N 3.27Å; H219-C221 PolarHBondContact ND1-N 3.38Å; H219-C221 PolarHBondContact O-N 3.43Å; H219-E222 IonicContact CD2-OE1 2.84Å; H219-E222 IonicContact NE2-OE1 3.9Å; H219-E222 IonicContact NE2-OE2 3.41Å; H219-E222 PolarHBondContact O-N 3.44Å
220R85Confident85.3Confident169 Ų16951.4 Ų51.464%0.63825%0.252SS*.THydrogen-bonded Turntrans-62.2-4.1-17377.2-179-172102.83.5116.8
221C92.6Very high86Confident15 Ų1555.4 Ų55.410%0.10128%0.278CS..THydrogen-bonded Turntrans-120.319.2-172.4-66.60000111.9H219 C255 C311H219-C221 PolarHBondContact ND1-N 3.38Å; H219-C221 PolarHBondContact O-N 3.43Å; C221-C255 WeakPolarHBondContact CA-SG 2.99Å; C221-C255 HydrophobicContact CB-CB 3.52Å; C221-C255 WeakPolarHBondContact CB-SG 2.98Å; C221-C255 WeakPolarHBondContact SG-CB 3.1Å; C221-C255 CovalentContact SG-SG 2.05Å; C221-C255 PolarHBondContact SG-SG 3.42Å; C221-C311 HydrophobicContact CB-CB 4.28Å; C221-C311 WeakPolarHBondContact O-CB 3.33Å; C221-C311 PolarHBondContact O-N 3.19Å
222E95.5Very high86.3Confident25 Ų2558 Ų5812%0.11729%0.292CS..EExtended strand (participates in β ladder)trans-150.6159.7170.761175.5-166.500109.5L214 Q218 H219 F267 V309 T310L214-E222 WeakPolarHBondContact CB-O 3.27Å; Q218-E222 WeakPolarHBondContact CA-OE1 3.29Å; Q218-E222 WeakPolarHBondContact CB-OE1 3.33Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.47Å; Q218-E222 PolarHBondContact N-OE1 2.96Å; H219-E222 IonicContact CD2-OE1 2.84Å; H219-E222 IonicContact NE2-OE1 3.9Å; H219-E222 IonicContact NE2-OE2 3.41Å; H219-E222 PolarHBondContact O-N 3.44Å; E222-F267 HydrophobicContact CB-CE1 4.14Å; E222-F267 HydrophobicContact CB-CZ 3.92Å; E222-F267 HydrophobicContact CG-CE1 4.2Å; E222-F267 HydrophobicContact CG-CZ 4.47Å; E222-V309 CarbonylContact C-O 3.56Å; E222-V309 WeakPolarHBondContact CA-O 3.3Å; E222-V309 WeakPolarHBondContact CB-O 3.29Å; E222-T310 HydrophobicContact CB-CG2 4.17Å
223G97.7Very high86.3Confident0 Ų061.3 Ų61.30%030%0.304CS..EExtended strand (participates in β ladder)trans143.1176.4177.300000113.6V215 G308 V309V215-G223 CarbonylContact O-C 3.57Å; V215-G223 WeakPolarHBondContact O-CA 3.45Å; G223-G308 CarbonylContact O-C 3Å; G223-G308 VanDerWaalsContact O-CA 3.23Å; G223-G308 WeakPolarHBondContact O-CA 3.09Å; G223-V309 PolarHBondContact N-O 3.36Å; G223-V309 PolarHBondContact O-N 2.97Å
224R98.5Very high86.5Confident13 Ų1357.7 Ų57.75%0.04929%0.291CS..EExtended strand (participates in β ladder)trans-64.3136170.5-178.9176.159.9-97.9-3.9110.1L214 V215 D216 E226 F267 G268 D306L214-R224 WeakPolarHBondContact CA-O 3.42Å; V215-R224 PolarHBondContact N-O 2.85Å; V215-R224 PolarHBondContact O-N 2.92Å; D216-R224 IonicContact OD2-CZ 3.33Å; D216-R224 VanDerWaalsContact OD2-CZ 3.28Å; D216-R224 IonicContact OD2-NH1 2.93Å; D216-R224 PolarHBondContact OD2-NH1 3.32Å; D216-R224 IonicContact OD2-NH2 2.86Å; D216-R224 PolarHBondContact OD2-NH2 3.44Å; R224-E226 IonicContact CZ-OE1 2.91Å; R224-E226 IonicContact NE-OE1 2.69Å; R224-E226 PolarHBondContact NE-OE1 3.24Å; R224-E226 IonicContact NH2-OE1 3.22Å; R224-E226 PolarHBondContact NH2-OE1 2.81Å; R224-F267 HydrophobicContact CB-CB 4.23Å; R224-F267 PolarHBondContact NH1-O 3.31Å; R224-G268 PolarHBondContact NH1-O 3.4Å; R224-D306 HydrophobicContact CG-CB 4.18Å
225V97.8Very high86.7Confident0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans-84.1119.5-179-176.10000110L212 L214 V236 W241 V249 L288 A307 V309L212-V225 HydrophobicContact CD1-CG1 4.19Å; L212-V225 HydrophobicContact CG-CG1 4.49Å; L214-V225 HydrophobicContact CD2-CG2 4.05Å; V225-V236 HydrophobicContact CB-CG2 4.48Å; V225-V236 HydrophobicContact CG1-CG2 4.04Å; V225-W241 HydrophobicContact CG2-CH2 4.17Å; V225-W241 HydrophobicContact CG2-CZ2 3.94Å; V225-V249 HydrophobicContact CG1-CG1 4.49Å; V225-V249 HydrophobicContact CG1-CG2 4.12Å; V225-V249 HydrophobicContact CG2-CG1 4.19Å; V225-V249 HydrophobicContact CG2-CG2 4.29Å; V225-L288 HydrophobicContact CG1-CD1 3.96Å; V225-A307 PolarHBondContact N-O 2.97Å; V225-V309 HydrophobicContact CG2-CG1 3.9Å; V225-V309 HydrophobicContact CG2-CG2 4.37Å
226E95.1Very high86.9Confident8 Ų854.8 Ų54.84%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-125.4138.7175.9-67.9-177.1-169.800112L212 R213 V215 R224 W233 G234 T235L212-E226 WeakPolarHBondContact CA-O 3.23Å; R213-E226 HydrophobicContact CG-CB 3.91Å; R213-E226 IonicContact CZ-OE2 3.09Å; R213-E226 PolarHBondContact N-O 3.47Å; R213-E226 IonicContact NE-OE2 3.8Å; R213-E226 PolarHBondContact NE-OE2 2.84Å; R213-E226 IonicContact NH2-OE2 3.52Å; R213-E226 PolarHBondContact NH2-OE2 3.5Å; R213-E226 PolarHBondContact O-N 3.3Å; V215-E226 HydrophobicContact CG2-CB 4.46Å; V215-E226 HydrophobicContact CG2-CG 4.15Å; R224-E226 IonicContact CZ-OE1 2.91Å; R224-E226 IonicContact NE-OE1 2.69Å; R224-E226 PolarHBondContact NE-OE1 3.24Å; R224-E226 IonicContact NH2-OE1 3.22Å; R224-E226 PolarHBondContact NH2-OE1 2.81Å; E226-W233 HydrophobicContact CB-CE3 4Å; E226-G234 CarbonylContact C-O 3.48Å; E226-G234 VanDerWaalsContact CA-O 3.3Å; E226-G234 WeakPolarHBondContact CA-O 3.33Å; E226-T235 HydrophobicContact CG-CG2 4.08Å
227L85.9Confident87.1Confident7 Ų749.7 Ų49.74%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-114.6141.2-179.7-68.1169.2000110.7A211 L212 W233 G234 V236 L275 L276 L288A211-L227 CarbonylContact O-C 3.59Å; A211-L227 WeakPolarHBondContact O-CA 3.48Å; L212-L227 HydrophobicContact CB-CD2 4.03Å; L212-L227 HydrophobicContact CD1-CD2 3.91Å; L212-L227 HydrophobicContact CG-CD2 4.16Å; L227-W233 WeakPolarHBondContact O-CA 3.37Å; L227-G234 PolarHBondContact N-O 2.8Å; L227-G234 PolarHBondContact O-N 3.36Å; L227-V236 HydrophobicContact CD1-CG2 3.87Å; L227-V236 HydrophobicContact CG-CG2 4.31Å; L227-L275 HydrophobicContact CB-CD1 3.72Å; L227-L275 VanDerWaalsContact O-CD1 3.25Å; L227-L275 WeakPolarHBondContact O-CD1 3.47Å; L227-L276 HydrophobicContact CD1-CD1 3.45Å; L227-L276 VanDerWaalsContact CD1-CD1 3.45Å; L227-L276 HydrophobicContact CD1-CG 4.2Å; L227-L288 HydrophobicContact CD1-CB 4.38Å; L227-L288 HydrophobicContact CD1-CD1 4.15Å; L227-L288 HydrophobicContact CD2-CD1 4.17Å; L227-L288 HydrophobicContact CG-CD1 4.4Å
228Y74.9Confident87.4Confident94 Ų9449.9 Ų49.937%0.36924%0.242SC..EExtended strand (participates in β ladder)trans-97.8112.6175.5-168.8-110.3000110.3G210 A211 S231 T232 W233G210-Y228 WeakPolarHBondContact CA-O 3.1Å; A211-Y228 PolarHBondContact O-N 3.02Å; Y228-S231 VanDerWaalsContact CE2-C 3.47Å; Y228-S231 VanDerWaalsContact CZ-CA 3.46Å; Y228-S231 VanDerWaalsContact OH-CA 3.31Å; Y228-S231 WeakPolarHBondContact OH-CA 3.46Å; Y228-T232 WeakPolarHBondContact CA-O 3.24Å; Y228-W233 AromaticContact CD2-CD1 3.83Å; Y228-W233 AromaticContact CD2-CD2 3.82Å; Y228-W233 HydrophobicContact CD2-CD2 3.82Å; Y228-W233 AromaticContact CD2-CE2 3.64Å; Y228-W233 HydrophobicContact CD2-CE3 4.47Å; Y228-W233 AromaticContact CD2-CG 3.95Å; Y228-W233 HydrophobicContact CD2-CG 3.95Å; Y228-W233 HydrophobicContact CD2-CZ2 4.17Å; Y228-W233 AromaticContact CD2-NE1 3.62Å; Y228-W233 AromaticContact CE2-NE1 3.97Å; Y228-W233 HydrophobicContact CG-CD2 4.44Å; Y228-W233 HydrophobicContact CG-CZ2 4.38Å
229L67.8Low87.7Confident22 Ų2243.2 Ų43.212%0.11521%0.212CC..EExtended strand (participates in β ladder)trans-136.3139.1178.4-170.268.6000109.7S231 T232 L275 W296L229-S231 PolarHBondContact O-N 2.83Å; L229-S231 VanDerWaalsContact O-N 3.13Å; L229-T232 PolarHBondContact N-O 2.03Å; L229-T232 PolarHBondContact O-N 3.14Å; L229-T232 PolarHBondContact O-OG1 3.43Å; L229-L275 HydrophobicContact CB-CD1 4.2Å; L229-L275 HydrophobicContact CB-CD2 4.47Å; L229-L275 HydrophobicContact CD2-CD2 4.41Å; L229-W296 HydrophobicContact CD2-CD2 3.93Å; L229-W296 HydrophobicContact CD2-CE3 3.46Å; L229-W296 VanDerWaalsContact CD2-CE3 3.46Å; L229-W296 HydrophobicContact CD2-CZ3 3.89Å
230N67.1Low88.1Confident130 Ų13040.8 Ų40.870%0.69521%0.209SC*.THydrogen-bonded Turntrans52.236.1176.8-63.8-27.1000115T232N230-T232 VanDerWaalsContact C-N 3.3Å
231S66.6Low88.8Confident95 Ų9533.8 Ų33.866%0.66418%0.183SC*.THydrogen-bonded Turntrans72.515.2-178.5-37.80000115.7Y228 L229Y228-S231 VanDerWaalsContact CE2-C 3.47Å; Y228-S231 VanDerWaalsContact CZ-CA 3.46Å; Y228-S231 VanDerWaalsContact OH-CA 3.31Å; Y228-S231 WeakPolarHBondContact OH-CA 3.46Å; L229-S231 PolarHBondContact O-N 2.83Å; L229-S231 VanDerWaalsContact O-N 3.13Å
232T72.5Confident89Confident76 Ų7636.3 Ų36.347%0.46620%0.195SC..EExtended strand (participates in β ladder)trans-131.5144.8178.850.30000110.7Y228 L229 N230Y228-T232 WeakPolarHBondContact CA-O 3.24Å; L229-T232 PolarHBondContact N-O 2.03Å; L229-T232 PolarHBondContact O-N 3.14Å; L229-T232 PolarHBondContact O-OG1 3.43Å; N230-T232 VanDerWaalsContact C-N 3.3Å
233W84.8Confident89.1Confident76 Ų7639 Ų3929%0.28821%0.21SC..EExtended strand (participates in β ladder)trans-81.9142.9167.3-69.998000109.6A211 R213 E226 L227 Y228A211-W233 HydrophobicContact CB-CH2 4.07Å; A211-W233 WeakPolarHBondContact O-CZ3 3.3Å; R213-W233 HydrophobicContact CB-CH2 4Å; R213-W233 HydrophobicContact CB-CZ3 4.03Å; R213-W233 HydrophobicContact CG-CE3 3.9Å; R213-W233 HydrophobicContact CG-CH2 3.78Å; R213-W233 HydrophobicContact CG-CZ2 4.46Å; R213-W233 HydrophobicContact CG-CZ3 3.47Å; R213-W233 VanDerWaalsContact CG-CZ3 3.47Å; E226-W233 HydrophobicContact CB-CE3 4Å; L227-W233 WeakPolarHBondContact O-CA 3.37Å; Y228-W233 AromaticContact CD2-CD1 3.83Å; Y228-W233 AromaticContact CD2-CD2 3.82Å; Y228-W233 HydrophobicContact CD2-CD2 3.82Å; Y228-W233 AromaticContact CD2-CE2 3.64Å; Y228-W233 HydrophobicContact CD2-CE3 4.47Å; Y228-W233 AromaticContact CD2-CG 3.95Å; Y228-W233 HydrophobicContact CD2-CG 3.95Å; Y228-W233 HydrophobicContact CD2-CZ2 4.17Å; Y228-W233 AromaticContact CD2-NE1 3.62Å; Y228-W233 AromaticContact CE2-NE1 3.97Å; Y228-W233 HydrophobicContact CG-CD2 4.44Å; Y228-W233 HydrophobicContact CG-CZ2 4.38Å
234G89.4Confident88.9Confident1 Ų140.7 Ų40.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-149.9166.6171.400000111.8E226 L227 T273E226-G234 CarbonylContact C-O 3.48Å; E226-G234 VanDerWaalsContact CA-O 3.3Å; E226-G234 WeakPolarHBondContact CA-O 3.33Å; L227-G234 PolarHBondContact N-O 2.8Å; L227-G234 PolarHBondContact O-N 3.36Å; G234-T273 CarbonylContact C-O 3.49Å; G234-T273 WeakPolarHBondContact CA-O 2.75Å
235T96.4Very high88.9Confident0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-98.5175.5-169.558.10000111.8E226 T273 I274 L275 D306E226-T235 HydrophobicContact CG-CG2 4.08Å; T235-T273 PolarHBondContact N-O 3.12Å; T235-I274 WeakPolarHBondContact OG1-CG1 3.25Å; T235-L275 PolarHBondContact O-N 3.32Å; T235-D306 WeakPolarHBondContact CB-OD1 3.34Å; T235-D306 WeakPolarHBondContact CG2-OD2 3.32Å; T235-D306 PolarHBondContact OG1-OD1 3.27Å
236V97.2Very high88.9Confident0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-118.2133.5175.31800000107.4V225 L227 W241 L276 L288 D306 A307V225-V236 HydrophobicContact CB-CG2 4.48Å; V225-V236 HydrophobicContact CG1-CG2 4.04Å; L227-V236 HydrophobicContact CD1-CG2 3.87Å; L227-V236 HydrophobicContact CG-CG2 4.31Å; V236-W241 HydrophobicContact CG1-CE3 4.03Å; V236-W241 HydrophobicContact CG1-CZ3 3.81Å; V236-L276 HydrophobicContact CG1-CB 4.12Å; V236-L276 HydrophobicContact CG2-CB 4.41Å; V236-L276 HydrophobicContact CG2-CD1 4.48Å; V236-L288 HydrophobicContact CG2-CD1 4.37Å; V236-D306 WeakPolarHBondContact O-CA 3.48Å; V236-A307 HydrophobicContact CB-CB 4.39Å; V236-A307 HydrophobicContact CG1-CB 4.41Å; V236-A307 WeakPolarHBondContact O-CB 3.34Å; V236-A307 PolarHBondContact O-N 3.05Å
237C97.7Very high88.8Confident0 Ų044.5 Ų44.50%024%0.235CC..BIsolated β-bridgetrans-73.7147.7174.4-1770000111.5D239 I274 L276 D277 C301 E305C237-D239 VanDerWaalsContact C-N 3.34Å; C237-D239 PolarHBondContact SG-N 2.78Å; C237-D239 VanDerWaalsContact SG-N 3.36Å; C237-I274 HydrophobicContact CB-CG2 4.02Å; C237-L276 WeakPolarHBondContact CB-O 3.47Å; C237-L276 PolarHBondContact N-O 2.96Å; C237-D277 HydrophobicContact CB-CB 4.11Å; C237-C301 HydrophobicContact CB-CB 3.65Å; C237-C301 WeakPolarHBondContact CB-SG 3.21Å; C237-C301 WeakPolarHBondContact SG-CB 3.32Å; C237-C301 CovalentContact SG-SG 2Å; C237-C301 PolarHBondContact SG-SG 3.36Å; C237-E305 CarbonylContact C-O 3.45Å; C237-E305 WeakPolarHBondContact CA-O 3.46Å
238D97.8Very high88.9Confident29 Ų2944.2 Ų44.216%0.15523%0.233CC..  trans-82.9-5.517871.2-10.6000114.5A240 W241 G263 E264 E305 A307D238-A240 PolarHBondContact O-N 3.39Å; D238-A240 VanDerWaalsContact O-N 3.09Å; D238-W241 HydrophobicContact CB-CB 4.23Å; D238-W241 WeakPolarHBondContact O-CB 3.34Å; D238-W241 PolarHBondContact O-N 3.47Å; D238-G263 WeakPolarHBondContact OD2-CA 3.06Å; D238-E264 PolarHBondContact OD2-N 2.78Å; D238-E305 WeakPolarHBondContact CB-O 3.35Å; D238-E305 PolarHBondContact N-O 3.44Å; D238-E305 VanDerWaalsContact OD1-CB 3.27Å; D238-E305 WeakPolarHBondContact OD1-CB 3.01Å; D238-A307 HydrophobicContact CB-CB 4.15Å
239D96.1Very high89.8Confident49 Ų4939.7 Ų39.726%0.26222%0.216SC..THydrogen-bonded Turntrans-55.7117.3170.9-95-5.2000109.7C237 W241 D277 N278 N300C237-D239 VanDerWaalsContact C-N 3.34Å; C237-D239 PolarHBondContact SG-N 2.78Å; C237-D239 VanDerWaalsContact SG-N 3.36Å; D239-W241 PolarHBondContact O-N 3.14Å; D239-D277 VanDerWaalsContact CB-OD1 3.29Å; D239-D277 WeakPolarHBondContact CB-OD1 3.29Å; D239-N278 VanDerWaalsContact O-CA 3.23Å; D239-N278 WeakPolarHBondContact O-CA 3.5Å; D239-N278 PolarHBondContact O-N 3.06Å; D239-N300 PolarHBondContact OD2-ND2 3.05Å
240A94.5Very high90.6Very high47 Ų4738.7 Ų38.739%0.38821%0.21SC..THydrogen-bonded Turntrans62.610.1-173.100000116.5D238 D242 K280D238-A240 PolarHBondContact O-N 3.39Å; D238-A240 VanDerWaalsContact O-N 3.09Å; A240-D242 PolarHBondContact O-N 3.18Å; A240-K280 HydrophobicContact CB-CG 4.44Å
241W98Very high91.4Very high23 Ų2336.9 Ų36.99%0.08719%0.194CC..  trans-65.6120.5179-177.2-108.9000112.5V225 V236 D238 D239 D245 A246 V249 L279 A307 G308 V309V225-W241 HydrophobicContact CG2-CH2 4.17Å; V225-W241 HydrophobicContact CG2-CZ2 3.94Å; V236-W241 HydrophobicContact CG1-CE3 4.03Å; V236-W241 HydrophobicContact CG1-CZ3 3.81Å; D238-W241 HydrophobicContact CB-CB 4.23Å; D238-W241 WeakPolarHBondContact O-CB 3.34Å; D238-W241 PolarHBondContact O-N 3.47Å; D239-W241 PolarHBondContact O-N 3.14Å; W241-D245 WeakPolarHBondContact CA-OD2 3.14Å; W241-D245 HydrophobicContact CD2-CB 3.99Å; W241-D245 HydrophobicContact CE3-CB 3.56Å; W241-D245 HydrophobicContact CH2-CB 3.92Å; W241-D245 HydrophobicContact CZ2-CB 4.31Å; W241-D245 HydrophobicContact CZ3-CB 3.55Å; W241-A246 HydrophobicContact CZ2-CB 4.42Å; W241-V249 HydrophobicContact CH2-CG2 3.64Å; W241-V249 HydrophobicContact CZ2-CG2 4.14Å; W241-L279 HydrophobicContact CE3-CB 4.44Å; W241-L279 HydrophobicContact CE3-CD2 4.23Å; W241-L279 HydrophobicContact CZ3-CD2 3.61Å; W241-A307 HydrophobicContact CB-CB 4.41Å; W241-A307 HydrophobicContact CD2-CB 3.66Å; W241-A307 HydrophobicContact CE3-CB 4.12Å; W241-A307 HydrophobicContact CG-CB 3.77Å; W241-A307 HydrophobicContact CZ2-CB 4.39Å; W241-G308 PolarHBondContact NE1-O 3.26Å; W241-V309 HydrophobicContact CZ2-CG1 3.57Å
242D97.2Very high91.9Very high67 Ų6732.9 Ų32.936%0.35817%0.165SC..  trans-134.5-179.1-174.475.57.4000114.9A240 P244 D245 A246 A261A240-D242 PolarHBondContact O-N 3.18Å; D242-P244 VanDerWaalsContact CG-CD 3.41Å; D242-P244 VanDerWaalsContact OD1-CB 3.3Å; D242-P244 WeakPolarHBondContact OD1-CB 3.47Å; D242-P244 WeakPolarHBondContact OD1-CD 3.2Å; D242-P244 WeakPolarHBondContact OD1-CG 3.14Å; D242-D245 PolarHBondContact N-OD2 3.33Å; D242-D245 WeakPolarHBondContact O-CB 3.01Å; D242-D245 PolarHBondContact O-N 3.18Å; D242-D245 VanDerWaalsContact O-N 3.16Å; D242-D245 PolarHBondContact OD1-N 3.43Å; D242-A246 PolarHBondContact O-N 2Å; D242-A261 VanDerWaalsContact C-CB 3.43Å; D242-A261 WeakPolarHBondContact O-CB 3.38Å
243L97.4Very high92.3Very high82 Ų8230.3 Ų30.343%0.42915%0.149SC..Hα-helixtrans-61.4-41.2-179.7-85.6171.7000113.6D245 A246 R247 A258L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 3.01Å; L243-A246 PolarHBondContact O-N 3.46Å; L243-R247 WeakPolarHBondContact O-CB 3.07Å; L243-R247 PolarHBondContact O-N 3Å; L243-A258 HydrophobicContact CD2-CB 4.17Å
244P95.3Very high92Very high35 Ų3528.5 Ų28.523%0.22715%0.154CC..Hα-helixtrans-50.8-44.9166.8-29.630.2000114.4D242 R247 V248 C281 G283D242-P244 VanDerWaalsContact CG-CD 3.41Å; D242-P244 VanDerWaalsContact OD1-CB 3.3Å; D242-P244 WeakPolarHBondContact OD1-CB 3.47Å; D242-P244 WeakPolarHBondContact OD1-CD 3.2Å; D242-P244 WeakPolarHBondContact OD1-CG 3.14Å; P244-R247 WeakPolarHBondContact O-CB 3.4Å; P244-R247 PolarHBondContact O-N 3.3Å; P244-V248 PolarHBondContact O-N 3.16Å; P244-C281 VanDerWaalsContact CB-O 3.29Å; P244-C281 WeakPolarHBondContact CB-O 3.11Å; P244-G283 WeakPolarHBondContact O-CA 3.42Å
245D96.8Very high91.7Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-63.7-49.4175.9-57.3-40000111.5W241 D242 L243 R247 V248 V249 L279 C281W241-D245 WeakPolarHBondContact CA-OD2 3.14Å; W241-D245 HydrophobicContact CD2-CB 3.99Å; W241-D245 HydrophobicContact CE3-CB 3.56Å; W241-D245 HydrophobicContact CH2-CB 3.92Å; W241-D245 HydrophobicContact CZ2-CB 4.31Å; W241-D245 HydrophobicContact CZ3-CB 3.55Å; D242-D245 PolarHBondContact N-OD2 3.33Å; D242-D245 WeakPolarHBondContact O-CB 3.01Å; D242-D245 PolarHBondContact O-N 3.18Å; D242-D245 VanDerWaalsContact O-N 3.16Å; D242-D245 PolarHBondContact OD1-N 3.43Å; L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 3.01Å; D245-R247 PolarHBondContact O-N 3.36Å; D245-V248 WeakPolarHBondContact O-CB 3.41Å; D245-V248 PolarHBondContact O-N 3.37Å; D245-V248 VanDerWaalsContact O-N 3.08Å; D245-V249 PolarHBondContact O-N 2.9Å; D245-L279 HydrophobicContact CB-CD2 4.35Å; D245-C281 WeakPolarHBondContact OD1-CB 3.03Å; D245-C281 PolarHBondContact OD1-N 3.5Å; D245-C281 PolarHBondContact OD1-SG 2.89Å
246A97.6Very high91.2Very high0 Ų030.8 Ų30.80%018%0.177CC..Hα-helixtrans-60.2-34.2177.200000112.1W241 D242 L243 V248 V249 C250 A258 A261 V309W241-A246 HydrophobicContact CZ2-CB 4.42Å; D242-A246 PolarHBondContact O-N 2Å; L243-A246 PolarHBondContact O-N 3.46Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.84Å; A246-V249 CarbonylContact O-C 3.41Å; A246-V249 WeakPolarHBondContact O-CB 3.49Å; A246-V249 PolarHBondContact O-N 3.14Å; A246-V249 VanDerWaalsContact O-N 3.14Å; A246-C250 WeakPolarHBondContact O-CB 3.44Å; A246-C250 PolarHBondContact O-N 3.46Å; A246-C250 PolarHBondContact O-SG 2.97Å; A246-A258 VanDerWaalsContact C-CB 3.49Å; A246-A258 HydrophobicContact CB-CB 3.69Å; A246-A261 HydrophobicContact CB-CB 3.8Å; A246-V309 HydrophobicContact CB-CB 4.36Å; A246-V309 HydrophobicContact CB-CG1 3.58Å
247R93.6Very high91Very high102 Ų10236 Ų3639%0.38520%0.201SC..Hα-helixtrans-62.7-41.7176-178.5-175.5-69.6139.26.4111.1L243 P244 D245 V249 R251 E257 A258L243-R247 WeakPolarHBondContact O-CB 3.07Å; L243-R247 PolarHBondContact O-N 3Å; P244-R247 WeakPolarHBondContact O-CB 3.4Å; P244-R247 PolarHBondContact O-N 3.3Å; D245-R247 PolarHBondContact O-N 3.36Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 PolarHBondContact O-N 3.33Å; R247-R251 WeakPolarHBondContact O-CB 3.25Å; R247-R251 PolarHBondContact O-N 3.1Å; R247-E257 IonicContact NE-OE2 2.8Å; R247-E257 PolarHBondContact NE-OE2 2.6Å; R247-A258 HydrophobicContact CB-CB 4.3Å
248V88.9Confident91Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-58.8-47173.6176.40000109.3P244 D245 A246 L252 C281 E285 L288P244-V248 PolarHBondContact O-N 3.16Å; D245-V248 WeakPolarHBondContact O-CB 3.41Å; D245-V248 PolarHBondContact O-N 3.37Å; D245-V248 VanDerWaalsContact O-N 3.08Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 2.84Å; V248-L252 HydrophobicContact CG1-CD1 3.63Å; V248-L252 HydrophobicContact CG1-CG 4.28Å; V248-L252 VanDerWaalsContact O-CB 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.47Å; V248-L252 WeakPolarHBondContact O-CG 3.03Å; V248-L252 PolarHBondContact O-N 3.01Å; V248-C281 HydrophobicContact CG2-CB 3.81Å; V248-E285 HydrophobicContact CG1-CB 4.32Å; V248-E285 WeakPolarHBondContact CG1-O 3.49Å; V248-E285 HydrophobicContact CG2-CB 4.12Å; V248-E285 WeakPolarHBondContact CG2-OE2 3.42Å; V248-L288 HydrophobicContact CB-CD2 3.98Å; V248-L288 HydrophobicContact CG1-CD2 3.73Å; V248-L288 HydrophobicContact CG1-CG 4.48Å
249V92.4Very high91Very high0 Ų038.4 Ų38.40%022%0.219CC..Hα-helixtrans-61-53.2178-179.50000112.8L212 L214 V225 W241 D245 A246 R247 R251 L252 V253 L288 V309L212-V249 HydrophobicContact CD1-CG1 4.22Å; L212-V249 HydrophobicContact CD1-CG2 4.18Å; L212-V249 HydrophobicContact CD2-CG1 3.9Å; L214-V249 HydrophobicContact CD2-CG1 3.83Å; V225-V249 HydrophobicContact CG1-CG1 4.49Å; V225-V249 HydrophobicContact CG1-CG2 4.12Å; V225-V249 HydrophobicContact CG2-CG1 4.19Å; V225-V249 HydrophobicContact CG2-CG2 4.29Å; W241-V249 HydrophobicContact CH2-CG2 3.64Å; W241-V249 HydrophobicContact CZ2-CG2 4.14Å; D245-V249 PolarHBondContact O-N 2.9Å; A246-V249 CarbonylContact O-C 3.41Å; A246-V249 WeakPolarHBondContact O-CB 3.49Å; A246-V249 PolarHBondContact O-N 3.14Å; A246-V249 VanDerWaalsContact O-N 3.14Å; R247-V249 VanDerWaalsContact C-N 3.29Å; R247-V249 PolarHBondContact O-N 3.33Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.49Å; V249-L252 CarbonylContact O-C 3.57Å; V249-L252 WeakPolarHBondContact O-CA 3.45Å; V249-L252 WeakPolarHBondContact O-CB 3.37Å; V249-L252 PolarHBondContact O-N 3.13Å; V249-V253 WeakPolarHBondContact O-CG2 3.48Å; V249-V253 PolarHBondContact O-N 3.33Å; V249-L288 HydrophobicContact CG2-CD1 3.88Å; V249-L288 HydrophobicContact CG2-CD2 3.81Å; V249-L288 HydrophobicContact CG2-CG 4.26Å; V249-V309 HydrophobicContact CB-CG1 4.12Å; V249-V309 HydrophobicContact CB-CG2 4.48Å; V249-V309 HydrophobicContact CG1-CG1 4.18Å; V249-V309 HydrophobicContact CG1-CG2 3.79Å; V249-V309 HydrophobicContact CG2-CG1 4.43Å
250C85.3Confident91.1Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-62.3-39.8-175.9-71.70000112.5A246 L252 V253 G254 C255 G256 A258 C311A246-C250 WeakPolarHBondContact O-CB 3.44Å; A246-C250 PolarHBondContact O-N 3.46Å; A246-C250 PolarHBondContact O-SG 2.97Å; C250-L252 VanDerWaalsContact C-N 3.32Å; C250-V253 PolarHBondContact O-N 3.21Å; C250-G254 PolarHBondContact O-N 3.36Å; C250-G254 VanDerWaalsContact O-N 3.16Å; C250-C255 PolarHBondContact O-N 3.13Å; C250-G256 CarbonylContact C-O 3.46Å; C250-G256 WeakPolarHBondContact CB-O 3.29Å; C250-A258 HydrophobicContact CB-CB 4.27Å; C250-A258 VanDerWaalsContact SG-CA 3.6Å; C250-C311 WeakPolarHBondContact CA-SG 3.25Å; C250-C311 HydrophobicContact CB-CB 3.64Å; C250-C311 WeakPolarHBondContact CB-SG 3.22Å; C250-C311 WeakPolarHBondContact SG-CB 3.38Å; C250-C311 CovalentContact SG-SG 2.03Å; C250-C311 PolarHBondContact SG-SG 2.8Å
251R84.8Confident91.3Very high92 Ų9239.6 Ų39.635%0.34722%0.22SC..Hα-helixtrans-64.1-41171.3-175178.367.7173.18.4111.1R247 V249 G254 T284 E285R247-R251 WeakPolarHBondContact O-CB 3.25Å; R247-R251 PolarHBondContact O-N 3.1Å; V249-R251 VanDerWaalsContact C-N 3.32Å; V249-R251 PolarHBondContact O-N 3.49Å; R251-G254 PolarHBondContact O-N 3.04Å; R251-T284 PolarHBondContact NH1-O 3.09Å; R251-T284 PolarHBondContact NH2-O 2.67Å; R251-E285 PolarHBondContact NH2-O 3.36Å
252L77Confident91.3Very high12 Ų1242.1 Ų42.16%0.06323%0.23CC..Hα-helixtrans-67.1-41177.8-71.3171.7000111.2G187 P188 V248 V249 C250 G254 A286G187-L252 WeakPolarHBondContact CA-O 2.99Å; P188-L252 WeakPolarHBondContact CD-O 3.34Å; V248-L252 HydrophobicContact CG1-CD1 3.63Å; V248-L252 HydrophobicContact CG1-CG 4.28Å; V248-L252 VanDerWaalsContact O-CB 3.29Å; V248-L252 WeakPolarHBondContact O-CB 3.47Å; V248-L252 WeakPolarHBondContact O-CG 3.03Å; V248-L252 PolarHBondContact O-N 3.01Å; V249-L252 CarbonylContact O-C 3.57Å; V249-L252 WeakPolarHBondContact O-CA 3.45Å; V249-L252 WeakPolarHBondContact O-CB 3.37Å; V249-L252 PolarHBondContact O-N 3.13Å; C250-L252 VanDerWaalsContact C-N 3.32Å; L252-G254 PolarHBondContact O-N 3.48Å; L252-A286 WeakPolarHBondContact CD2-O 2.96Å
253V79.8Confident91.3Very high21 Ų2140 Ų4013%0.12722%0.224CC..Hα-helixtrans-78.3-1.8177.6-61.20000113.9L212 L214 V249 C250 C255L212-V253 HydrophobicContact CD2-CG1 3.27Å; L214-V253 HydrophobicContact CD1-CG1 4.43Å; L214-V253 HydrophobicContact CD1-CG2 4.07Å; L214-V253 HydrophobicContact CG-CG1 4.21Å; V249-V253 WeakPolarHBondContact O-CG2 3.48Å; V249-V253 PolarHBondContact O-N 3.33Å; C250-V253 PolarHBondContact O-N 3.21Å; V253-C255 HydrophobicContact CG2-CB 3.83Å
254G79.6Confident91.4Very high39 Ų3944.3 Ų44.340%0.40224%0.241SC..THydrogen-bonded Turntrans68.936.5-179.800000112.8C250 R251 L252C250-G254 PolarHBondContact O-N 3.36Å; C250-G254 VanDerWaalsContact O-N 3.16Å; R251-G254 PolarHBondContact O-N 3.04Å; L252-G254 PolarHBondContact O-N 3.48Å
255C81.9Confident91.4Very high7 Ų743.2 Ų43.25%0.04724%0.236CC..  trans-115.430.5-178.6-71.90000112.4C221 C250 V253 C311 S312C221-C255 WeakPolarHBondContact CA-SG 2.99Å; C221-C255 HydrophobicContact CB-CB 3.52Å; C221-C255 WeakPolarHBondContact CB-SG 2.98Å; C221-C255 WeakPolarHBondContact SG-CB 3.1Å; C221-C255 CovalentContact SG-SG 2.05Å; C221-C255 PolarHBondContact SG-SG 3.42Å; C250-C255 PolarHBondContact O-N 3.13Å; V253-C255 HydrophobicContact CG2-CB 3.83Å; C255-C311 HydrophobicContact CB-CB 3.56Å; C255-C311 WeakPolarHBondContact O-CB 3.29Å; C255-S312 CarbonylContact C-O 3.2Å; C255-S312 CarbonylContact O-C 3.59Å; C255-S312 PolarHBondContact O-N 3.47Å
256G86.8Confident91.5Very high42 Ų4248.1 Ų48.143%0.43326%0.258SS..  trans72.9-141.3175.800000114C250C250-G256 CarbonylContact C-O 3.46Å; C250-G256 WeakPolarHBondContact CB-O 3.29Å
257E93.5Very high91.5Very high109 Ų10949.3 Ų49.351%0.50926%0.263SS..SBendtrans-85.1154-176.5-70.8-61.7133.100111.9R247 C311 S312R247-E257 IonicContact NE-OE2 2.8Å; R247-E257 PolarHBondContact NE-OE2 2.6Å; E257-C311 CarbonylContact O-C 3.44Å; E257-C311 VanDerWaalsContact O-CA 3.25Å; E257-C311 WeakPolarHBondContact O-CA 3.44Å; E257-S312 PolarHBondContact N-OG 3.41Å; E257-S312 PolarHBondContact O-N 3.32Å; E257-S312 PolarHBondContact O-OG 3.2Å
258A96.8Very high91.7Very high19 Ų1945.7 Ų45.716%0.15726%0.258CS..EExtended strand (participates in β ladder)trans-76.9125.7171.200000110.5L243 A246 R247 C250L243-A258 HydrophobicContact CD2-CB 4.17Å; A246-A258 VanDerWaalsContact C-CB 3.49Å; A246-A258 HydrophobicContact CB-CB 3.69Å; R247-A258 HydrophobicContact CB-CB 4.3Å; C250-A258 HydrophobicContact CB-CB 4.27Å; C250-A258 VanDerWaalsContact SG-CA 3.6Å
259T97.9Very high92.1Very high60 Ų6049.8 Ų49.837%0.36828%0.284SS..EExtended strand (participates in β ladder)trans-95.8-33.6173.264.70000111.4T310T259-T310 PolarHBondContact N-O 3.26Å; T259-T310 PolarHBondContact OG1-O 3.15Å
260H98.5Very high92.2Very high89 Ų8950.1 Ų50.141%0.41229%0.288SS..EExtended strand (participates in β ladder)trans-144.2142-178.2-61.982.2000111.6W262 V309 T310H260-W262 HydrophobicContact CB-CD2 4.24Å; H260-W262 HydrophobicContact CB-CG 4.49Å; H260-W262 HydrophobicContact CB-CZ2 3.78Å; H260-W262 AromaticContact CD2-CH2 3.84Å; H260-W262 AromaticContact CD2-CZ2 3.53Å; H260-W262 AromaticContact CG-CE2 3.9Å; H260-W262 AromaticContact CG-CZ2 3.6Å; H260-V309 WeakPolarHBondContact O-CA 3.43Å; H260-T310 PolarHBondContact N-O 3.02Å; H260-T310 PolarHBondContact O-N 2.92Å; H260-T310 VanDerWaalsContact O-N 3.14Å
261A98.3Very high92.4Very high32 Ų3255.6 Ų55.626%0.26432%0.322SS..EExtended strand (participates in β ladder)trans-112.5107.5166.900000106.8D242 A246D242-A261 VanDerWaalsContact C-CB 3.43Å; D242-A261 WeakPolarHBondContact O-CB 3.38Å; A246-A261 HydrophobicContact CB-CB 3.8Å
262W98.4Very high92.6Very high77 Ų7754.1 Ų54.129%0.29234%0.335SS..EExtended strand (participates in β ladder)trans-96.6138.4-174.1-62.9105.9000111H260 H266 F267 A307 G308 T310H260-W262 HydrophobicContact CB-CD2 4.24Å; H260-W262 HydrophobicContact CB-CG 4.49Å; H260-W262 HydrophobicContact CB-CZ2 3.78Å; H260-W262 AromaticContact CD2-CH2 3.84Å; H260-W262 AromaticContact CD2-CZ2 3.53Å; H260-W262 AromaticContact CG-CE2 3.9Å; H260-W262 AromaticContact CG-CZ2 3.6Å; W262-H266 HydrophobicContact CB-CB 3.76Å; W262-H266 HydrophobicContact CD2-CB 4.4Å; W262-H266 AromaticContact CD2-CD2 3.95Å; W262-H266 AromaticContact CD2-CG 3.88Å; W262-H266 HydrophobicContact CE3-CB 4.48Å; W262-H266 AromaticContact CE3-CD2 3.65Å; W262-H266 AromaticContact CE3-CG 3.98Å; W262-H266 HydrophobicContact CG-CB 4.15Å; W262-H266 AromaticContact CG-CG 3.99Å; W262-H266 AromaticContact CZ3-CD2 4Å; W262-F267 HydrophobicContact CB-CE2 4.41Å; W262-F267 AromaticContact CD1-CE2 3.49Å; W262-F267 VanDerWaalsContact CD1-CE2 3.49Å; W262-F267 AromaticContact CD1-CZ 3.9Å; W262-F267 HydrophobicContact CG-CE2 4.09Å; W262-A307 CarbonylContact O-C 3Å; W262-A307 WeakPolarHBondContact O-CA 2.7Å; W262-G308 PolarHBondContact N-O 3.22Å; W262-G308 PolarHBondContact O-N 2.91Å; W262-T310 PolarHBondContact NE1-OG1 3.35Å
263G97.7Very high93.2Very high23 Ų2356.5 Ų56.524%0.23735%0.351CS..  trans-110.8-162.6165.800000111.8D238 A265 H266D238-G263 WeakPolarHBondContact OD2-CA 3.06Å; G263-A265 PolarHBondContact O-N 3.31Å; G263-A265 VanDerWaalsContact O-N 3.12Å; G263-H266 PolarHBondContact O-N 2.75Å; G263-H266 VanDerWaalsContact O-N 3.14Å
264E97.6Very high93.7Very high171 Ų17155.8 Ų55.880%0.79935%0.346SS*.THydrogen-bonded Turntrans52.634.1174.4-61.2179.7-15600113.2D238 H266 S304D238-E264 PolarHBondContact OD2-N 2.78Å; E264-H266 PolarHBondContact O-N 3.29Å; E264-S304 CarbonylContact C-O 3.5Å; E264-S304 WeakPolarHBondContact CA-O 3.24Å
265A97.2Very high94.2Very high13 Ų1354.1 Ų54.111%0.10733%0.328CS..THydrogen-bonded Turntrans49.444.8-177.600000112.8G263 F267 G268 P269 H303 S304 D306G263-A265 PolarHBondContact O-N 3.31Å; G263-A265 VanDerWaalsContact O-N 3.12Å; A265-F267 PolarHBondContact O-N 3.48Å; A265-F267 VanDerWaalsContact O-N 3.08Å; A265-G268 VanDerWaalsContact O-CA 3.29Å; A265-G268 WeakPolarHBondContact O-CA 3.2Å; A265-G268 PolarHBondContact O-N 3.04Å; A265-P269 HydrophobicContact CB-CB 4.4Å; A265-H303 WeakPolarHBondContact CB-O 3.23Å; A265-S304 PolarHBondContact N-O 2.63Å; A265-S304 VanDerWaalsContact N-O 3.1Å; A265-D306 WeakPolarHBondContact CA-O 3.48Å; A265-D306 PolarHBondContact N-O 3.21Å
266H98.4Very high94.6Very high102 Ų10253.8 Ų53.847%0.47233%0.325SS..THydrogen-bonded Turntrans-48.6-38.1-178178.3-88.9000114.3W262 G263 E264 G268W262-H266 HydrophobicContact CB-CB 3.76Å; W262-H266 HydrophobicContact CD2-CB 4.4Å; W262-H266 AromaticContact CD2-CD2 3.95Å; W262-H266 AromaticContact CD2-CG 3.88Å; W262-H266 HydrophobicContact CE3-CB 4.48Å; W262-H266 AromaticContact CE3-CD2 3.65Å; W262-H266 AromaticContact CE3-CG 3.98Å; W262-H266 HydrophobicContact CG-CB 4.15Å; W262-H266 AromaticContact CG-CG 3.99Å; W262-H266 AromaticContact CZ3-CD2 4Å; G263-H266 PolarHBondContact O-N 2.75Å; G263-H266 VanDerWaalsContact O-N 3.14Å; E264-H266 PolarHBondContact O-N 3.29Å; H266-G268 VanDerWaalsContact C-N 3.3Å
267F97.8Very high94.9Very high25 Ų2551.8 Ų51.811%0.1131%0.305CS..THydrogen-bonded Turntrans-93.319.8176.8-62-79.6000113.3D216 E222 R224 W262 A265 V309D216-F267 WeakPolarHBondContact CB-O 3.36Å; E222-F267 HydrophobicContact CB-CE1 4.14Å; E222-F267 HydrophobicContact CB-CZ 3.92Å; E222-F267 HydrophobicContact CG-CE1 4.2Å; E222-F267 HydrophobicContact CG-CZ 4.47Å; R224-F267 HydrophobicContact CB-CB 4.23Å; R224-F267 PolarHBondContact NH1-O 3.31Å; W262-F267 HydrophobicContact CB-CE2 4.41Å; W262-F267 AromaticContact CD1-CE2 3.49Å; W262-F267 VanDerWaalsContact CD1-CE2 3.49Å; W262-F267 AromaticContact CD1-CZ 3.9Å; W262-F267 HydrophobicContact CG-CE2 4.09Å; A265-F267 PolarHBondContact O-N 3.48Å; A265-F267 VanDerWaalsContact O-N 3.08Å; F267-V309 WeakPolarHBondContact CE2-O 3.33Å
268G97.5Very high94.8Very high26 Ų2648.8 Ų48.827%0.26829%0.292SS..  trans86.3152.2-173.100000113.2R224 A265 H266R224-G268 PolarHBondContact NH1-O 3.4Å; A265-G268 VanDerWaalsContact O-CA 3.29Å; A265-G268 WeakPolarHBondContact O-CA 3.2Å; A265-G268 PolarHBondContact O-N 3.04Å; H266-G268 VanDerWaalsContact C-N 3.3Å
269P97.1Very high94.6Very high86 Ų8647.9 Ų47.956%0.55829%0.285SS*.  trans-67.5142.2178.829-35.1000110.6A265 H303A265-P269 HydrophobicContact CB-CB 4.4Å; P269-H303 WeakPolarHBondContact CA-O 3.29Å; P269-H303 HydrophobicContact CB-CB 3.84Å; P269-H303 VanDerWaalsContact CB-O 3.29Å; P269-H303 WeakPolarHBondContact CB-O 3.5Å
270G94.6Very high94.3Very high7 Ų750.7 Ų50.77%0.07229%0.292CS..  trans-80.1-167.5169.800000112.4H303 D306G270-H303 PolarHBondContact O-CD2 3.15Å; G270-D306 VanDerWaalsContact CA-OD2 3.3Å; G270-D306 WeakPolarHBondContact CA-OD2 3.32Å; G270-D306 PolarHBondContact N-OD2 3.26Å
271T88.6Confident93.9Very high115 Ų11547 Ų4771%0.70628%0.276SS*.  trans-140.7151.8179.462.80000110.3
272G90.2Very high93.1Very high62 Ų6249 Ų4964%0.63929%0.288SS*.SBendtrans97.9-132.7174.500000111.7H303G272-H303 PolarHBondContact N-NE2 3.16Å; G272-H303 PolarHBondContact O-NE2 3.12Å; G272-H303 VanDerWaalsContact O-NE2 3.16Å
273T88.1Confident92.1Very high62 Ų6245.4 Ų45.438%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-97.4138.7-176.4-61.20000110.7G234 T235 L275 N297G234-T273 CarbonylContact C-O 3.49Å; G234-T273 WeakPolarHBondContact CA-O 2.75Å; T235-T273 PolarHBondContact N-O 3.12Å; T273-L275 HydrophobicContact CG2-CD2 4Å; T273-N297 HydrophobicContact CG2-CB 4.19Å; T273-N297 WeakPolarHBondContact CG2-OD1 3.46Å
274I91.7Very high91.1Very high5 Ų549.2 Ų49.23%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-86.7116.2165.3-48-177.9000107.2T235 C237 H299 C301T235-I274 WeakPolarHBondContact OG1-CG1 3.25Å; C237-I274 HydrophobicContact CB-CG2 4.02Å; I274-H299 PolarHBondContact O-CD2 3.06Å; I274-C301 HydrophobicContact CD1-CB 4.05Å
275L89.5Confident90.4Very high4 Ų442.3 Ų42.32%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-87.2-33.7-167.1-65.8174000112.9L227 L229 T235 T273 W296 N297L227-L275 HydrophobicContact CB-CD1 3.72Å; L227-L275 VanDerWaalsContact O-CD1 3.25Å; L227-L275 WeakPolarHBondContact O-CD1 3.47Å; L229-L275 HydrophobicContact CB-CD1 4.2Å; L229-L275 HydrophobicContact CB-CD2 4.47Å; L229-L275 HydrophobicContact CD2-CD2 4.41Å; T235-L275 PolarHBondContact O-N 3.32Å; T273-L275 HydrophobicContact CG2-CD2 4Å; L275-W296 HydrophobicContact CB-CE3 4.28Å; L275-W296 HydrophobicContact CB-CZ3 4.17Å; L275-N297 WeakPolarHBondContact CD2-OD1 3.47Å; L275-N297 PolarHBondContact O-N 3.32Å
276L91.5Very high89.2Confident0 Ų042.7 Ų42.70%026%0.264CS..EExtended strand (participates in β ladder)trans-134.3146.2-173.5-69.9177.5000110.6L227 V236 C237 L279 L288 H293 W296L227-L276 HydrophobicContact CD1-CD1 3.45Å; L227-L276 VanDerWaalsContact CD1-CD1 3.45Å; L227-L276 HydrophobicContact CD1-CG 4.2Å; V236-L276 HydrophobicContact CG1-CB 4.12Å; V236-L276 HydrophobicContact CG2-CB 4.41Å; V236-L276 HydrophobicContact CG2-CD1 4.48Å; C237-L276 WeakPolarHBondContact CB-O 3.47Å; C237-L276 PolarHBondContact N-O 2.96Å; L276-L279 HydrophobicContact CD1-CD1 4.05Å; L276-L288 HydrophobicContact CD1-CB 4.07Å; L276-H293 HydrophobicContact CD2-CB 4.33Å; L276-W296 HydrophobicContact CD1-CH2 4Å; L276-W296 HydrophobicContact CD1-CZ3 4.17Å; L276-W296 HydrophobicContact CD2-CD2 4.31Å; L276-W296 HydrophobicContact CD2-CE3 3.88Å; L276-W296 HydrophobicContact CD2-CH2 3.54Å; L276-W296 HydrophobicContact CD2-CZ2 3.99Å; L276-W296 HydrophobicContact CD2-CZ3 3.52Å; L276-W296 HydrophobicContact CG-CE3 4.33Å; L276-W296 HydrophobicContact CG-CH2 3.92Å; L276-W296 HydrophobicContact CG-CZ3 3.68Å
277D92.9Very high88Confident1 Ų138.3 Ų38.31%0.00525%0.245CC..  trans-147.1149.2179.1-177.8-4.6000108.7C237 D239 L279 H299 N300C237-D277 HydrophobicContact CB-CB 4.11Å; D239-D277 VanDerWaalsContact CB-OD1 3.29Å; D239-D277 WeakPolarHBondContact CB-OD1 3.29Å; D277-L279 VanDerWaalsContact C-N 3.3Å; D277-L279 PolarHBondContact O-N 3.22Å; D277-H299 HydrophobicContact CB-CB 3.53Å; D277-H299 WeakPolarHBondContact OD2-CA 3.49Å; D277-H299 VanDerWaalsContact OD2-CB 3.24Å; D277-H299 WeakPolarHBondContact OD2-CB 3.49Å; D277-N300 PolarHBondContact OD2-N 3.23Å; D277-N300 VanDerWaalsContact OD2-N 3.14Å; D277-N300 PolarHBondContact OD2-OD1 2.81Å
278N90.4Very high87.1Confident45 Ų4537.2 Ų37.224%0.24124%0.24CC..SBendtrans55.746-179.5-80.9-87.6000111.5D239 I294D239-N278 VanDerWaalsContact O-CA 3.23Å; D239-N278 WeakPolarHBondContact O-CA 3.5Å; D239-N278 PolarHBondContact O-N 3.06Å; N278-I294 HydrophobicContact CB-CD1 3.93Å; N278-I294 HydrophobicContact CB-CG1 4.06Å
279L93.2Very high86.1Confident0 Ų037.6 Ų37.60%024%0.235CC..  trans-69.5133.2-179.1-157.369.2000109.7W241 D245 L276 D277 L288 C291 S292 H293W241-L279 HydrophobicContact CE3-CB 4.44Å; W241-L279 HydrophobicContact CE3-CD2 4.23Å; W241-L279 HydrophobicContact CZ3-CD2 3.61Å; D245-L279 HydrophobicContact CB-CD2 4.35Å; L276-L279 HydrophobicContact CD1-CD1 4.05Å; D277-L279 VanDerWaalsContact C-N 3.3Å; D277-L279 PolarHBondContact O-N 3.22Å; L279-L288 HydrophobicContact CD2-CB 4.16Å; L279-L288 HydrophobicContact CD2-CD1 4.4Å; L279-L288 HydrophobicContact CD2-CD2 3.7Å; L279-L288 HydrophobicContact CD2-CG 4.3Å; L279-C291 HydrophobicContact CD1-CB 3.69Å; L279-C291 HydrophobicContact CD2-CB 4.45Å; L279-C291 HydrophobicContact CG-CB 3.91Å; L279-S292 CarbonylContact C-O 3.57Å; L279-S292 WeakPolarHBondContact CA-O 3.47Å; L279-H293 HydrophobicContact CD1-CB 3.9Å
280K90.8Very high85.2Confident120 Ų12039.2 Ų39.252%0.52224%0.236SC..BIsolated β-bridgetrans-139.887.6179.2-64.4-177.5-176.8177.20109.4A240 S292A240-K280 HydrophobicContact CB-CG 4.44Å; K280-S292 PolarHBondContact N-O 3Å; K280-S292 PolarHBondContact O-N 2.87Å; K280-S292 VanDerWaalsContact O-N 3.12Å
281C90.9Very high84.5Confident12 Ų1239.2 Ų39.28%0.08123%0.234CC..  trans-83.6151173.4-58.70000110.7P244 D245 V248 G283 E285 C291P244-C281 VanDerWaalsContact CB-O 3.29Å; P244-C281 WeakPolarHBondContact CB-O 3.11Å; D245-C281 WeakPolarHBondContact OD1-CB 3.03Å; D245-C281 PolarHBondContact OD1-N 3.5Å; D245-C281 PolarHBondContact OD1-SG 2.89Å; V248-C281 HydrophobicContact CG2-CB 3.81Å; C281-G283 VanDerWaalsContact C-N 3.29Å; C281-E285 WeakPolarHBondContact CB-OE2 3.15Å; C281-C291 HydrophobicContact CB-CB 3.91Å; C281-C291 WeakPolarHBondContact CB-SG 3.44Å; C281-C291 WeakPolarHBondContact SG-CB 3.33Å; C281-C291 CovalentContact SG-SG 2.02Å; C281-C291 PolarHBondContact SG-SG 3.4Å
282S80.8Confident84.3Confident72 Ų7237.6 Ų37.650%0.50323%0.228SC..  trans-79.8-14.4163.665.10000112.4T284 E285S282-T284 PolarHBondContact OG-OG1 2.98Å; S282-E285 WeakPolarHBondContact CB-OE1 3.18Å; S282-E285 VanDerWaalsContact N-CD 3.34Å; S282-E285 PolarHBondContact N-OE1 2.96Å; S282-E285 PolarHBondContact N-OE2 3.25Å; S282-E285 PolarHBondContact OG-OE1 3.08Å; S282-E285 PolarHBondContact OG-OE2 3.27Å
283G78.1Confident84.1Confident2 Ų236.8 Ų36.82%0.02121%0.207CC..SBendtrans93.13.6-176.100000113.7P244 C281 E285P244-G283 WeakPolarHBondContact O-CA 3.42Å; C281-G283 VanDerWaalsContact C-N 3.29Å; G283-E285 PolarHBondContact N-OE2 3.47Å
284T76.3Confident83.6Confident104 Ų10438.2 Ų38.264%0.63821%0.211SC*.  trans-116-2.8-175.365.50000113.9R251 S282R251-T284 PolarHBondContact NH1-O 3.09Å; R251-T284 PolarHBondContact NH2-O 2.67Å; S282-T284 PolarHBondContact OG-OG1 2.98Å
285E83.8Confident82.8Confident26 Ų2640.9 Ų40.912%0.12123%0.231CC..  trans-67.9138.3-173.5-6879.9-172.600114.3V248 R251 C281 S282 G283 S287 Q290 C291V248-E285 HydrophobicContact CG1-CB 4.32Å; V248-E285 WeakPolarHBondContact CG1-O 3.49Å; V248-E285 HydrophobicContact CG2-CB 4.12Å; V248-E285 WeakPolarHBondContact CG2-OE2 3.42Å; R251-E285 PolarHBondContact NH2-O 3.36Å; C281-E285 WeakPolarHBondContact CB-OE2 3.15Å; S282-E285 WeakPolarHBondContact CB-OE1 3.18Å; S282-E285 VanDerWaalsContact N-CD 3.34Å; S282-E285 PolarHBondContact N-OE1 2.96Å; S282-E285 PolarHBondContact N-OE2 3.25Å; S282-E285 PolarHBondContact OG-OE1 3.08Å; S282-E285 PolarHBondContact OG-OE2 3.27Å; G283-E285 PolarHBondContact N-OE2 3.47Å; E285-S287 PolarHBondContact O-N 3.36Å; E285-Q290 HydrophobicContact CB-CB 4.13Å; E285-Q290 HydrophobicContact CG-CB 4.1Å; E285-C291 HydrophobicContact CG-CB 4.48Å; E285-C291 VanDerWaalsContact CG-SG 3.55Å
286A70.3Confident82.4Confident20 Ų2044.7 Ų44.717%0.16525%0.245CC..SBendtrans-75-11.1179.900000113.8V190 L252V190-A286 HydrophobicContact CB-CB 3.7Å; V190-A286 HydrophobicContact CG2-CB 4.09Å; L252-A286 WeakPolarHBondContact CD2-O 2.96Å
287S73.8Confident81.9Confident10 Ų1048.4 Ų48.47%0.0727%0.265CS..SBendtrans-160.5157.3170.867.90000110.1E285 Q289 Q290E285-S287 PolarHBondContact O-N 3.36Å; S287-Q289 PolarHBondContact O-N 3.07Å; S287-Q289 VanDerWaalsContact O-N 3.15Å; S287-Q289 PolarHBondContact OG-OE1 3.16Å; S287-Q289 VanDerWaalsContact OG-OE1 3.12Å; S287-Q290 WeakPolarHBondContact O-CB 3.39Å; S287-Q290 PolarHBondContact O-N 2.78Å
288L79.4Confident81.4Confident2 Ų252 Ų521%0.0129%0.287CS..G310 helixtrans-60.7-23.8175.9-64.1-178.9000112.7L212 V225 L227 V236 V248 V249 L276 L279 Q290 C291L212-L288 HydrophobicContact CD1-CD1 3.78Å; L212-L288 HydrophobicContact CD1-CG 4.19Å; V225-L288 HydrophobicContact CG1-CD1 3.96Å; L227-L288 HydrophobicContact CD1-CB 4.38Å; L227-L288 HydrophobicContact CD1-CD1 4.15Å; L227-L288 HydrophobicContact CD2-CD1 4.17Å; L227-L288 HydrophobicContact CG-CD1 4.4Å; V236-L288 HydrophobicContact CG2-CD1 4.37Å; V248-L288 HydrophobicContact CB-CD2 3.98Å; V248-L288 HydrophobicContact CG1-CD2 3.73Å; V248-L288 HydrophobicContact CG1-CG 4.48Å; V249-L288 HydrophobicContact CG2-CD1 3.88Å; V249-L288 HydrophobicContact CG2-CD2 3.81Å; V249-L288 HydrophobicContact CG2-CG 4.26Å; L276-L288 HydrophobicContact CD1-CB 4.07Å; L279-L288 HydrophobicContact CD2-CB 4.16Å; L279-L288 HydrophobicContact CD2-CD1 4.4Å; L279-L288 HydrophobicContact CD2-CD2 3.7Å; L279-L288 HydrophobicContact CD2-CG 4.3Å; L288-Q290 PolarHBondContact O-N 3.48Å; L288-C291 WeakPolarHBondContact O-CB 3.41Å; L288-C291 PolarHBondContact O-N 3.33Å
289Q76.9Confident81.5Confident34 Ų3453.3 Ų53.316%0.15929%0.291CS..G310 helixtrans-63.7-22.8176-64.2151.3-40.600113.6T208 S287 H293 W296T208-Q289 PolarHBondContact O-NE2 3.25Å; T208-Q289 VanDerWaalsContact O-NE2 3.1Å; T208-Q289 PolarHBondContact O-OE1 3.36Å; S287-Q289 PolarHBondContact O-N 3.07Å; S287-Q289 VanDerWaalsContact O-N 3.15Å; S287-Q289 PolarHBondContact OG-OE1 3.16Å; S287-Q289 VanDerWaalsContact OG-OE1 3.12Å; Q289-H293 PolarHBondContact O-NE2 2.72Å; Q289-W296 HydrophobicContact CB-CH2 4.07Å; Q289-W296 HydrophobicContact CB-CZ2 3.73Å; Q289-W296 HydrophobicContact CG-CH2 3.23Å; Q289-W296 HydrophobicContact CG-CZ2 3.3Å; Q289-W296 HydrophobicContact CG-CZ3 4.47Å
290Q76.7Confident81.4Confident121 Ų12158.9 Ų58.957%0.56532%0.321SS*.G310 helixtrans-88.4-15-178.8-64.1177.2-1.200112.8E285 S287 L288E285-Q290 HydrophobicContact CB-CB 4.13Å; E285-Q290 HydrophobicContact CG-CB 4.1Å; S287-Q290 WeakPolarHBondContact O-CB 3.39Å; S287-Q290 PolarHBondContact O-N 2.78Å; L288-Q290 PolarHBondContact O-N 3.48Å
291C80.3Confident81.7Confident6 Ų653.6 Ų53.64%0.04130%0.299CS..SBendtrans-68.5157.3174.7-54.90000109.8L279 C281 E285 L288 H293L279-C291 HydrophobicContact CD1-CB 3.69Å; L279-C291 HydrophobicContact CD2-CB 4.45Å; L279-C291 HydrophobicContact CG-CB 3.91Å; C281-C291 HydrophobicContact CB-CB 3.91Å; C281-C291 WeakPolarHBondContact CB-SG 3.44Å; C281-C291 WeakPolarHBondContact SG-CB 3.33Å; C281-C291 CovalentContact SG-SG 2.02Å; C281-C291 PolarHBondContact SG-SG 3.4Å; E285-C291 HydrophobicContact CG-CB 4.48Å; E285-C291 VanDerWaalsContact CG-SG 3.55Å; L288-C291 WeakPolarHBondContact O-CB 3.41Å; L288-C291 PolarHBondContact O-N 3.33Å; C291-H293 PolarHBondContact O-CD2 3.11Å; C291-H293 PolarHBondContact O-N 2.02Å
292S84.7Confident81.9Confident82 Ų8257.2 Ų57.257%0.57332%0.318SS*.BIsolated β-bridgetrans-68.3131.2173.1-177.20000108.8L279 K280L279-S292 CarbonylContact C-O 3.57Å; L279-S292 WeakPolarHBondContact CA-O 3.47Å; K280-S292 PolarHBondContact N-O 3Å; K280-S292 PolarHBondContact O-N 2.87Å; K280-S292 VanDerWaalsContact O-N 3.12Å
293H86.3Confident82.7Confident45 Ų4555.9 Ų55.921%0.20830%0.303CS..  trans-152.9169174.154.781.1000109.1L276 L279 Q289 C291L276-H293 HydrophobicContact CD2-CB 4.33Å; L279-H293 HydrophobicContact CD1-CB 3.9Å; Q289-H293 PolarHBondContact O-NE2 2.72Å; C291-H293 PolarHBondContact O-CD2 3.11Å; C291-H293 PolarHBondContact O-N 2.02Å
294I76.3Confident83.7Confident91 Ų9158.6 Ų58.647%0.46732%0.322SS..SBendtrans-67.1-63.8-177.4-64.3169.5000110.7N278 V298N278-I294 HydrophobicContact CB-CD1 3.93Å; N278-I294 HydrophobicContact CB-CG1 4.06Å; I294-V298 HydrophobicContact CG2-CB 4.45Å; I294-V298 HydrophobicContact CG2-CG1 3.9Å
295S75.3Confident84.7Confident62 Ų6255.9 Ų55.943%0.43430%0.302SS..  trans-175.2162.6177.7-82.40000110.4N297 V298S295-N297 PolarHBondContact O-N 2.61Å; S295-V298 PolarHBondContact O-N 2.81Å
296W81.3Confident85.4Confident83 Ų8354.7 Ų54.731%0.31430%0.297SS..THydrogen-bonded Turntrans-62.4130.5175.7-67.798.4000112.7L229 L275 L276 Q289 V298L229-W296 HydrophobicContact CD2-CD2 3.93Å; L229-W296 HydrophobicContact CD2-CE3 3.46Å; L229-W296 VanDerWaalsContact CD2-CE3 3.46Å; L229-W296 HydrophobicContact CD2-CZ3 3.89Å; L275-W296 HydrophobicContact CB-CE3 4.28Å; L275-W296 HydrophobicContact CB-CZ3 4.17Å; L276-W296 HydrophobicContact CD1-CH2 4Å; L276-W296 HydrophobicContact CD1-CZ3 4.17Å; L276-W296 HydrophobicContact CD2-CD2 4.31Å; L276-W296 HydrophobicContact CD2-CE3 3.88Å; L276-W296 HydrophobicContact CD2-CH2 3.54Å; L276-W296 HydrophobicContact CD2-CZ2 3.99Å; L276-W296 HydrophobicContact CD2-CZ3 3.52Å; L276-W296 HydrophobicContact CG-CE3 4.33Å; L276-W296 HydrophobicContact CG-CH2 3.92Å; L276-W296 HydrophobicContact CG-CZ3 3.68Å; Q289-W296 HydrophobicContact CB-CH2 4.07Å; Q289-W296 HydrophobicContact CB-CZ2 3.73Å; Q289-W296 HydrophobicContact CG-CH2 3.23Å; Q289-W296 HydrophobicContact CG-CZ2 3.3Å; Q289-W296 HydrophobicContact CG-CZ3 4.47Å; W296-V298 PolarHBondContact O-N 3.46Å; W296-V298 VanDerWaalsContact O-N 3.13Å
297N81.9Confident86.8Confident78 Ų7853.8 Ų53.842%0.41729%0.289SS..THydrogen-bonded Turntrans57.518.8179.9-40.2-63.1000113.7T273 L275 S295T273-N297 HydrophobicContact CG2-CB 4.19Å; T273-N297 WeakPolarHBondContact CG2-OD1 3.46Å; L275-N297 WeakPolarHBondContact CD2-OD1 3.47Å; L275-N297 PolarHBondContact O-N 3.32Å; S295-N297 PolarHBondContact O-N 2.61Å
298V82.4Confident88Confident78 Ų7853.4 Ų53.447%0.47329%0.287SS..  trans-107.8103.8174.2178.10000106.2I294 S295 W296I294-V298 HydrophobicContact CG2-CB 4.45Å; I294-V298 HydrophobicContact CG2-CG1 3.9Å; S295-V298 PolarHBondContact O-N 2.81Å; W296-V298 PolarHBondContact O-N 3.46Å; W296-V298 VanDerWaalsContact O-N 3.13Å
299H92.1Very high88.9Confident71 Ų7153.3 Ų53.333%0.32929%0.286SS..  trans-149157.2-178.165.589.5000111.2I274 D277 C301I274-H299 PolarHBondContact O-CD2 3.06Å; D277-H299 HydrophobicContact CB-CB 3.53Å; D277-H299 WeakPolarHBondContact OD2-CA 3.49Å; D277-H299 VanDerWaalsContact OD2-CB 3.24Å; D277-H299 WeakPolarHBondContact OD2-CB 3.49Å; H299-C301 PolarHBondContact CE1-O 3.12Å; H299-C301 PolarHBondContact ND1-N 3.23Å; H299-C301 PolarHBondContact ND1-O 3.15Å
300N90.9Very high89.9Confident117 Ų11752.6 Ų52.663%0.62628%0.284SS*.SBendtrans-104.34.8166.754.7-79.2000113D239 D277D239-N300 PolarHBondContact OD2-ND2 3.05Å; D277-N300 PolarHBondContact OD2-N 3.23Å; D277-N300 VanDerWaalsContact OD2-N 3.14Å; D277-N300 PolarHBondContact OD2-OD1 2.81Å
301C96.1Very high90.8Very high10 Ų1047.3 Ų47.37%0.06826%0.26CS..  trans-82.8162.3-176-47.30000113.8C237 I274 H299 E305C237-C301 HydrophobicContact CB-CB 3.65Å; C237-C301 WeakPolarHBondContact CB-SG 3.21Å; C237-C301 WeakPolarHBondContact SG-CB 3.32Å; C237-C301 CovalentContact SG-SG 2Å; C237-C301 PolarHBondContact SG-SG 3.36Å; I274-C301 HydrophobicContact CD1-CB 4.05Å; H299-C301 PolarHBondContact CE1-O 3.12Å; H299-C301 PolarHBondContact ND1-N 3.23Å; H299-C301 PolarHBondContact ND1-O 3.15Å; C301-E305 VanDerWaalsContact CA-OE2 3.24Å; C301-E305 WeakPolarHBondContact CA-OE2 3.41Å; C301-E305 HydrophobicContact CB-CB 3.99Å
302N96.7Very high91.1Very high87 Ų8752.5 Ų52.547%0.46530%0.297SS..  trans-120.1174.9166.681.886.3000110.4S304 E305N302-S304 VanDerWaalsContact CG-OG 3.31Å; N302-S304 PolarHBondContact ND2-OG 3.24Å; N302-S304 PolarHBondContact O-N 2.81Å; N302-S304 VanDerWaalsContact O-N 3.12Å; N302-S304 VanDerWaalsContact OD1-CB 3.29Å; N302-S304 WeakPolarHBondContact OD1-CB 3.1Å; N302-S304 PolarHBondContact OD1-N 2.71Å; N302-S304 PolarHBondContact OD1-OG 2.9Å; N302-E305 PolarHBondContact N-OE2 3.32Å; N302-E305 PolarHBondContact ND2-OE2 3.43Å; N302-E305 WeakPolarHBondContact O-CB 3.13Å; N302-E305 PolarHBondContact O-N 3.25Å
303H97.9Very high91.4Very high44 Ų4451 Ų5120%0.20428%0.283CS..G310 helixtrans-69.3-9-175-75.2-56.5000115.1A265 P269 G270 G272 E305 D306A265-H303 WeakPolarHBondContact CB-O 3.23Å; P269-H303 WeakPolarHBondContact CA-O 3.29Å; P269-H303 HydrophobicContact CB-CB 3.84Å; P269-H303 VanDerWaalsContact CB-O 3.29Å; P269-H303 WeakPolarHBondContact CB-O 3.5Å; G270-H303 PolarHBondContact O-CD2 3.15Å; G272-H303 PolarHBondContact N-NE2 3.16Å; G272-H303 PolarHBondContact O-NE2 3.12Å; G272-H303 VanDerWaalsContact O-NE2 3.16Å; H303-E305 PolarHBondContact O-N 3.18Å; H303-D306 IonicContact CE1-OD2 3.53Å; H303-D306 IonicContact CG-OD2 2.85Å; H303-D306 IonicContact ND1-OD1 3.18Å; H303-D306 PolarHBondContact ND1-OD1 3.41Å; H303-D306 IonicContact ND1-OD2 3.2Å; H303-D306 PolarHBondContact ND1-OD2 3.3Å; H303-D306 PolarHBondContact O-N 3.46Å
304S97.7Very high91.7Very high60 Ų6051.3 Ų51.342%0.4229%0.287SS..G310 helixtrans-69.3-12.5166.173.10000112.9E264 A265 N302E264-S304 CarbonylContact C-O 3.5Å; E264-S304 WeakPolarHBondContact CA-O 3.24Å; A265-S304 PolarHBondContact N-O 2.63Å; A265-S304 VanDerWaalsContact N-O 3.1Å; N302-S304 VanDerWaalsContact CG-OG 3.31Å; N302-S304 PolarHBondContact ND2-OG 3.24Å; N302-S304 PolarHBondContact O-N 2.81Å; N302-S304 VanDerWaalsContact O-N 3.12Å; N302-S304 VanDerWaalsContact OD1-CB 3.29Å; N302-S304 WeakPolarHBondContact OD1-CB 3.1Å; N302-S304 PolarHBondContact OD1-N 2.71Å; N302-S304 PolarHBondContact OD1-OG 2.9Å
305E98.3Very high92.5Very high46 Ų4649.1 Ų49.122%0.21528%0.277CS..G310 helixtrans-108.119-177.7-67.4162.5112.500110.3C237 D238 C301 N302 H303 A307C237-E305 CarbonylContact C-O 3.45Å; C237-E305 WeakPolarHBondContact CA-O 3.46Å; D238-E305 WeakPolarHBondContact CB-O 3.35Å; D238-E305 PolarHBondContact N-O 3.44Å; D238-E305 VanDerWaalsContact OD1-CB 3.27Å; D238-E305 WeakPolarHBondContact OD1-CB 3.01Å; C301-E305 VanDerWaalsContact CA-OE2 3.24Å; C301-E305 WeakPolarHBondContact CA-OE2 3.41Å; C301-E305 HydrophobicContact CB-CB 3.99Å; N302-E305 PolarHBondContact N-OE2 3.32Å; N302-E305 PolarHBondContact ND2-OE2 3.43Å; N302-E305 WeakPolarHBondContact O-CB 3.13Å; N302-E305 PolarHBondContact O-N 3.25Å; H303-E305 PolarHBondContact O-N 3.18Å; E305-A307 PolarHBondContact O-N 3.42Å
306D98.4Very high93.5Very high2 Ų248.4 Ų48.41%0.01127%0.268CS..BIsolated β-bridgetrans-72.7124.6177.8-73.7-26.8000111.2R224 T235 V236 A265 G270 H303R224-D306 HydrophobicContact CG-CB 4.18Å; T235-D306 WeakPolarHBondContact CB-OD1 3.34Å; T235-D306 WeakPolarHBondContact CG2-OD2 3.32Å; T235-D306 PolarHBondContact OG1-OD1 3.27Å; V236-D306 WeakPolarHBondContact O-CA 3.48Å; A265-D306 WeakPolarHBondContact CA-O 3.48Å; A265-D306 PolarHBondContact N-O 3.21Å; G270-D306 VanDerWaalsContact CA-OD2 3.3Å; G270-D306 WeakPolarHBondContact CA-OD2 3.32Å; G270-D306 PolarHBondContact N-OD2 3.26Å; H303-D306 IonicContact CE1-OD2 3.53Å; H303-D306 IonicContact CG-OD2 2.85Å; H303-D306 IonicContact ND1-OD1 3.18Å; H303-D306 PolarHBondContact ND1-OD1 3.41Å; H303-D306 IonicContact ND1-OD2 3.2Å; H303-D306 PolarHBondContact ND1-OD2 3.3Å; H303-D306 PolarHBondContact O-N 3.46Å
307A98.7Very high94.3Very high0 Ų046.2 Ų46.20%027%0.265CS..  trans-73.8149.3-17800000113.3V225 V236 D238 W241 W262 E305V225-A307 PolarHBondContact N-O 2.97Å; V236-A307 HydrophobicContact CB-CB 4.39Å; V236-A307 HydrophobicContact CG1-CB 4.41Å; V236-A307 WeakPolarHBondContact O-CB 3.34Å; V236-A307 PolarHBondContact O-N 3.05Å; D238-A307 HydrophobicContact CB-CB 4.15Å; W241-A307 HydrophobicContact CB-CB 4.41Å; W241-A307 HydrophobicContact CD2-CB 3.66Å; W241-A307 HydrophobicContact CE3-CB 4.12Å; W241-A307 HydrophobicContact CG-CB 3.77Å; W241-A307 HydrophobicContact CZ2-CB 4.39Å; W262-A307 CarbonylContact O-C 3Å; W262-A307 WeakPolarHBondContact O-CA 2.7Å; E305-A307 PolarHBondContact O-N 3.42Å
308G98.6Very high95.1Very high2 Ų244.1 Ų44.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-137.8170.5177.400000113.1G223 W241 W262G223-G308 CarbonylContact O-C 3Å; G223-G308 VanDerWaalsContact O-CA 3.23Å; G223-G308 WeakPolarHBondContact O-CA 3.09Å; W241-G308 PolarHBondContact NE1-O 3.26Å; W262-G308 PolarHBondContact N-O 3.22Å; W262-G308 PolarHBondContact O-N 2.91Å
309V98.6Very high96Very high0 Ų041.6 Ų41.60%024%0.239CC..EExtended strand (participates in β ladder)trans-139.3157.6175.7-58.30000112.3L214 E222 G223 V225 W241 A246 V249 H260 F267L214-V309 HydrophobicContact CD1-CG2 3.75Å; L214-V309 HydrophobicContact CD2-CG2 3.59Å; L214-V309 HydrophobicContact CG-CG2 4.34Å; E222-V309 CarbonylContact C-O 3.56Å; E222-V309 WeakPolarHBondContact CA-O 3.3Å; E222-V309 WeakPolarHBondContact CB-O 3.29Å; G223-V309 PolarHBondContact N-O 3.36Å; G223-V309 PolarHBondContact O-N 2.97Å; V225-V309 HydrophobicContact CG2-CG1 3.9Å; V225-V309 HydrophobicContact CG2-CG2 4.37Å; W241-V309 HydrophobicContact CZ2-CG1 3.57Å; A246-V309 HydrophobicContact CB-CB 4.36Å; A246-V309 HydrophobicContact CB-CG1 3.58Å; V249-V309 HydrophobicContact CB-CG1 4.12Å; V249-V309 HydrophobicContact CB-CG2 4.48Å; V249-V309 HydrophobicContact CG1-CG1 4.18Å; V249-V309 HydrophobicContact CG1-CG2 3.79Å; V249-V309 HydrophobicContact CG2-CG1 4.43Å; H260-V309 WeakPolarHBondContact O-CA 3.43Å; F267-V309 WeakPolarHBondContact CE2-O 3.33Å
310T98.3Very high96.3Very high20 Ų2039.4 Ų39.412%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-128.6130.9160.2-57.70000109.1E222 T259 H260 W262E222-T310 HydrophobicContact CB-CG2 4.17Å; T259-T310 PolarHBondContact N-O 3.26Å; T259-T310 PolarHBondContact OG1-O 3.15Å; H260-T310 PolarHBondContact N-O 3.02Å; H260-T310 PolarHBondContact O-N 2.92Å; H260-T310 VanDerWaalsContact O-N 3.14Å; W262-T310 PolarHBondContact NE1-OG1 3.35Å
311C95.6Very high96.8Very high9 Ų932.9 Ų32.96%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-114.6166.2-176.8-42.80000112.5C221 C250 C255 E257C221-C311 HydrophobicContact CB-CB 4.28Å; C221-C311 WeakPolarHBondContact O-CB 3.33Å; C221-C311 PolarHBondContact O-N 3.19Å; C250-C311 WeakPolarHBondContact CA-SG 3.25Å; C250-C311 HydrophobicContact CB-CB 3.64Å; C250-C311 WeakPolarHBondContact CB-SG 3.22Å; C250-C311 WeakPolarHBondContact SG-CB 3.38Å; C250-C311 CovalentContact SG-SG 2.03Å; C250-C311 PolarHBondContact SG-SG 2.8Å; C255-C311 HydrophobicContact CB-CB 3.56Å; C255-C311 WeakPolarHBondContact O-CB 3.29Å; E257-C311 CarbonylContact O-C 3.44Å; E257-C311 VanDerWaalsContact O-CA 3.25Å; E257-C311 WeakPolarHBondContact O-CA 3.44Å
312S86.4Confident96.8Very high115 Ų11535 Ų3580%0.80421%0.211SC*.  trans-106.40-17770.50000115.4C255 E257C255-S312 CarbonylContact C-O 3.2Å; C255-S312 CarbonylContact O-C 3.59Å; C255-S312 PolarHBondContact O-N 3.47Å; E257-S312 PolarHBondContact N-OG 3.41Å; E257-S312 PolarHBondContact O-N 3.32Å; E257-S312 PolarHBondContact O-OG 3.2Å

Retrieved 312 of 312 residues in 739.9 ms (Link to these results)

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