A0A077ZCC8_TRITR Loading...

Peptidase C97 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 224 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
1M58.2Low90.9Very high221 Ų22147.8 Ų47.8100%1.08925%0.249SC*.  0126.10-72.6179.2-84.600105.9N3M1-N3 PolarHBondContact O-N 3.38Å
2A68.3Low90.7Very high43 Ų4345.5 Ų45.536%0.35524%0.24SC..  trans-72.2121.3-179.800000106.6D78A2-D78 WeakPolarHBondContact O-CA 3.36Å
3N92.1Very high90.1Very high108 Ų10842.4 Ų42.458%0.57822%0.223SC*.  trans-117.163.5-178.2-171.359000108M1 Y76M1-N3 PolarHBondContact O-N 3.38Å; N3-Y76 VanDerWaalsContact ND2-CD1 3.34Å; N3-Y76 WeakPolarHBondContact ND2-CD1 3.12Å; N3-Y76 WeakPolarHBondContact OD1-CB 3.34Å; N3-Y76 VanDerWaalsContact OD1-CG 3.32Å
4E97.7Very high88.6Confident51 Ų5143.5 Ų43.524%0.23823%0.23CC..EExtended strand (participates in β ladder)trans-80127.5-175.5-178.765-162.800109.4V34 Y35 Y76 T77E4-V34 HydrophobicContact CG-CG2 3.78Å; E4-Y35 HydrophobicContact CB-CD1 4.4Å; E4-Y35 HydrophobicContact CB-CE1 3.79Å; E4-Y35 HydrophobicContact CB-CE2 4.22Å; E4-Y35 HydrophobicContact CG-CD1 3.6Å; E4-Y35 HydrophobicContact CG-CD2 4.04Å; E4-Y35 HydrophobicContact CG-CE1 3.5Å; E4-Y35 HydrophobicContact CG-CE2 3.95Å; E4-Y35 HydrophobicContact CG-CG 3.86Å; E4-Y35 WeakPolarHBondContact OE1-CA 3.33Å; E4-Y35 PolarHBondContact OE1-N 2.87Å; E4-Y35 VanDerWaalsContact OE1-N 3.13Å; E4-Y35 WeakPolarHBondContact OE2-CE1 2.9Å; E4-Y76 CarbonylContact O-C 3.44Å; E4-Y76 WeakPolarHBondContact O-CA 3.27Å; E4-T77 HydrophobicContact CB-CG2 3.99Å; E4-T77 HydrophobicContact CG-CG2 4.48Å; E4-T77 PolarHBondContact N-O 3.3Å; E4-T77 PolarHBondContact O-N 3.47Å
5P98.3Very high86.6Confident30 Ų3044.2 Ų44.220%0.19523%0.228CC..EExtended strand (participates in β ladder)trans-68.5139.2177.229.5-36.4000111.6Y7 L73 Y76P5-Y7 HydrophobicContact CB-CD2 4.3Å; P5-Y7 HydrophobicContact CB-CE2 3.55Å; P5-Y7 HydrophobicContact CG-CE2 3.75Å; P5-L73 HydrophobicContact CB-CD1 3.95Å; P5-Y76 HydrophobicContact CB-CD1 4.2Å; P5-Y76 HydrophobicContact CB-CE1 4.05Å
6V98.7Very high85Confident0 Ų041.4 Ų41.40%021%0.214CC..EExtended strand (participates in β ladder)trans-111.4118.7173.2-1780000108.4V32 V34 Q74 G75 T77 L118 C119V6-V32 HydrophobicContact CG1-CG1 3.67Å; V6-V34 HydrophobicContact CG2-CB 4.43Å; V6-V34 HydrophobicContact CG2-CG2 4.07Å; V6-Q74 HydrophobicContact CG1-CB 4.44Å; V6-Q74 PolarHBondContact O-N 2.92Å; V6-G75 PolarHBondContact N-O 3.5Å; V6-G75 PolarHBondContact O-N 3.27Å; V6-T77 HydrophobicContact CG2-CG2 3.65Å; V6-L118 HydrophobicContact CG1-CD1 4.3Å; V6-L118 HydrophobicContact CG2-CB 4.22Å; V6-C119 HydrophobicContact CG2-CB 4.42Å
7Y98.8Very high83.5Confident73 Ų7340.8 Ų40.829%0.28621%0.211SC..EExtended strand (participates in β ladder)trans-108.6147.3178.8-62.1-83.6000111.3P5 V32 E33 I72 L73P5-Y7 HydrophobicContact CB-CD2 4.3Å; P5-Y7 HydrophobicContact CB-CE2 3.55Å; P5-Y7 HydrophobicContact CG-CE2 3.75Å; Y7-V32 CarbonylContact O-C 3.37Å; Y7-V32 WeakPolarHBondContact O-CA 3.33Å; Y7-E33 HydrophobicContact CD2-CG 4.45Å; Y7-E33 PolarHBondContact N-O 3.25Å; Y7-E33 PolarHBondContact O-N 3.03Å; Y7-I72 CarbonylContact C-O 3.28Å; Y7-I72 WeakPolarHBondContact CA-O 3.45Å; Y7-L73 HydrophobicContact CD1-CB 4.11Å; Y7-L73 HydrophobicContact CD1-CD1 4.11Å; Y7-L73 HydrophobicContact CE1-CB 3.97Å; Y7-L73 HydrophobicContact CE1-CD1 3.76Å; Y7-L73 HydrophobicContact CE1-CG 4.43Å
8L98.7Very high82.2Confident0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-104.6112.2165.3-177.278.3000108.1V10 G31 V32 S71 I72 Q74 T111 I123 V127L8-V10 HydrophobicContact CD2-CG2 3.93Å; L8-V10 HydrophobicContact CG-CG2 4.05Å; L8-G31 WeakPolarHBondContact CA-O 3.48Å; L8-V32 HydrophobicContact CD1-CG2 4.26Å; L8-S71 WeakPolarHBondContact O-CA 3.35Å; L8-I72 HydrophobicContact CB-CB 4.4Å; L8-I72 PolarHBondContact N-O 3.08Å; L8-I72 PolarHBondContact O-N 3.11Å; L8-Q74 HydrophobicContact CB-CG 3.84Å; L8-Q74 VanDerWaalsContact CB-NE2 3.31Å; L8-T111 HydrophobicContact CD1-CG2 4.18Å; L8-I123 HydrophobicContact CD1-CG2 3.68Å; L8-I123 HydrophobicContact CD2-CB 3.76Å; L8-I123 HydrophobicContact CD2-CG2 3.67Å; L8-I123 HydrophobicContact CG-CG2 4.26Å; L8-V127 HydrophobicContact CD2-CG2 4.21Å
9N98.6Very high81Confident0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-90.2129.4173.5-66.8-28000108.7Y11 S30 G31 E33 E38 K57 F68 S71N9-Y11 HydrophobicContact CB-CE2 3.95Å; N9-S30 CarbonylContact O-C 3.51Å; N9-S30 WeakPolarHBondContact O-CA 3.49Å; N9-S30 VanDerWaalsContact O-CB 3.3Å; N9-S30 WeakPolarHBondContact O-CB 3.41Å; N9-G31 PolarHBondContact N-O 3.43Å; N9-G31 PolarHBondContact O-N 2.93Å; N9-E33 WeakPolarHBondContact ND2-CB 3.39Å; N9-E33 PolarHBondContact ND2-OE2 2.86Å; N9-E33 PolarHBondContact OD1-OE2 2.99Å; N9-E38 WeakPolarHBondContact CB-OE1 2.92Å; N9-E38 PolarHBondContact ND2-OE2 2.88Å; N9-K57 VanDerWaalsContact OD1-CE 3.27Å; N9-K57 WeakPolarHBondContact OD1-CE 3.43Å; N9-F68 HydrophobicContact CB-CE2 4.18Å; N9-S71 WeakPolarHBondContact OD1-CB 2.97Å; N9-S71 PolarHBondContact OD1-OG 3.36Å
10V96.7Very high80.1Confident0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-120.7133.5-174.4-175.10000109.4L8 Y28 H29 K69 V70 I72 W126 V127L8-V10 HydrophobicContact CD2-CG2 3.93Å; L8-V10 HydrophobicContact CG-CG2 4.05Å; V10-Y28 HydrophobicContact CG1-CD1 4.15Å; V10-Y28 HydrophobicContact CG1-CG 4.16Å; V10-H29 WeakPolarHBondContact CA-O 3.4Å; V10-K69 WeakPolarHBondContact O-CB 3.22Å; V10-K69 PolarHBondContact O-N 3.45Å; V10-V70 HydrophobicContact CB-CG1 3.93Å; V10-V70 HydrophobicContact CG2-CG1 4.21Å; V10-V70 PolarHBondContact N-O 2.98Å; V10-V70 PolarHBondContact O-N 3.21Å; V10-I72 HydrophobicContact CG2-CD1 4.26Å; V10-W126 HydrophobicContact CB-CH2 4.35Å; V10-W126 HydrophobicContact CG1-CH2 3.87Å; V10-W126 HydrophobicContact CG1-CZ3 3.99Å; V10-W126 HydrophobicContact CG2-CH2 4.3Å; V10-V127 HydrophobicContact CG1-CG1 4.39Å; V10-V127 HydrophobicContact CG2-CG1 4.42Å; V10-V127 HydrophobicContact CG2-CG2 4.11Å
11Y93.8Very high79.2Confident0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-122.4135.7-178.9-50.3-103.2000109.8N9 Y28 H29 E38 K57 E59 L62 K67 F68N9-Y11 HydrophobicContact CB-CE2 3.95Å; Y11-Y28 VanDerWaalsContact O-CA 3.28Å; Y11-Y28 WeakPolarHBondContact O-CA 3.47Å; Y11-H29 AromaticContact CD2-CD2 3.84Å; Y11-H29 PolarHBondContact N-O 3.36Å; Y11-H29 PolarHBondContact O-N 3.42Å; Y11-E38 WeakPolarHBondContact CE2-OE1 3.32Å; Y11-E38 PolarHBondContact OH-OE1 3.49Å; Y11-E38 PolarHBondContact OH-OE2 3.42Å; Y11-K57 WeakPolarHBondContact OH-CA 3.3Å; Y11-K57 PolarHBondContact OH-N 2.91Å; Y11-E59 HydrophobicContact CD1-CG 4.13Å; Y11-E59 HydrophobicContact CE1-CG 4.19Å; Y11-L62 HydrophobicContact CD1-CD1 3.77Å; Y11-L62 HydrophobicContact CD2-CD1 3.94Å; Y11-L62 HydrophobicContact CE1-CD1 3.76Å; Y11-L62 HydrophobicContact CE2-CD1 3.93Å; Y11-L62 HydrophobicContact CG-CD1 3.87Å; Y11-K67 CarbonylContact C-O 3.55Å; Y11-K67 WeakPolarHBondContact CA-O 3.44Å; Y11-F68 VanDerWaalsContact CD1-CA 3.48Å; Y11-F68 HydrophobicContact CD1-CB 3.86Å; Y11-F68 HydrophobicContact CD1-CD2 4.26Å; Y11-F68 HydrophobicContact CE1-CB 3.89Å; Y11-F68 AromaticContact CE1-CD2 3.86Å; Y11-F68 HydrophobicContact CE1-CD2 3.86Å; Y11-F68 HydrophobicContact CE1-CG 4.37Å
12S88.9Confident79Confident20 Ų2036.7 Ų36.714%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-71.7127.1164.5179.50000109N14 N17 K67S12-N14 WeakPolarHBondContact CB-OD1 3.18Å; S12-N14 PolarHBondContact O-N 2.97Å; S12-N14 PolarHBondContact OG-OD1 3.29Å; S12-N17 PolarHBondContact OG-ND2 2.68Å; S12-K67 PolarHBondContact N-O 2.89Å; S12-K67 PolarHBondContact O-N 2.91Å
13M82Confident78.4Confident5 Ų534.9 Ų34.93%0.02519%0.187CC..EExtended strand (participates in β ladder)trans-88.290164.7-85.1-171.2-8500108W15 V16 N17 I27 H29 Y66M13-W15 PolarHBondContact O-N 2.69Å; M13-W15 HydrophobicContact SD-CZ2 4.03Å; M13-W15 PolarHBondContact SD-NE1 3.49Å; M13-V16 HydrophobicContact CB-CG2 4.43Å; M13-V16 PolarHBondContact O-N 2.95Å; M13-N17 VanDerWaalsContact O-CG 3.25Å; M13-N17 PolarHBondContact O-N 3.06Å; M13-N17 VanDerWaalsContact O-N 3.1Å; M13-N17 PolarHBondContact O-ND2 2.94Å; M13-I27 HydrophobicContact CE-CB 4.23Å; M13-I27 HydrophobicContact CE-CG2 3.31Å; M13-I27 PolarHBondContact N-O 3.06Å; M13-H29 HydrophobicContact CE-CB 4.03Å; M13-H29 HydrophobicContact CG-CB 4.45Å; M13-Y66 HydrophobicContact CG-CD1 3.81Å; M13-Y66 HydrophobicContact CG-CE1 3.48Å; M13-Y66 VanDerWaalsContact CG-CE1 3.48Å; M13-Y66 HydrophobicContact SD-CE1 3.77Å
14N69.8Low76.9Confident58 Ų5832.7 Ų32.731%0.3119%0.189SC..Hα-helixtrans-58-38.7-172.4-66.7-22.8000111.4S12 V16 N17 D18 D65S12-N14 WeakPolarHBondContact CB-OD1 3.18Å; S12-N14 PolarHBondContact O-N 2.97Å; S12-N14 PolarHBondContact OG-OD1 3.29Å; N14-V16 PolarHBondContact O-N 3.43Å; N14-N17 CarbonylContact O-C 3.56Å; N14-N17 PolarHBondContact O-N 2.87Å; N14-N17 VanDerWaalsContact O-N 3.17Å; N14-D18 PolarHBondContact O-N 3.46Å; N14-D65 PolarHBondContact N-O 3Å
15W59.1Low75.4Confident54 Ų5430.6 Ų30.621%0.20518%0.18CC..Hα-helixtrans-56.9-46178.568.7-71.1000114.4M13 Y19 D65 W148 F205M13-W15 PolarHBondContact O-N 2.69Å; M13-W15 HydrophobicContact SD-CZ2 4.03Å; M13-W15 PolarHBondContact SD-NE1 3.49Å; W15-Y19 PolarHBondContact O-N 3.27Å; W15-D65 HydrophobicContact CB-CB 4.09Å; W15-D65 HydrophobicContact CG-CB 3.94Å; W15-W148 HydrophobicContact CE3-CH2 4.05Å; W15-W148 HydrophobicContact CE3-CZ2 4.33Å; W15-W148 HydrophobicContact CH2-CD2 4.29Å; W15-W148 HydrophobicContact CH2-CE3 4.29Å; W15-W148 AromaticContact CH2-CH2 3.96Å; W15-W148 HydrophobicContact CH2-CH2 3.96Å; W15-W148 AromaticContact CH2-CZ2 3.97Å; W15-W148 HydrophobicContact CH2-CZ2 3.97Å; W15-W148 HydrophobicContact CH2-CZ3 4.11Å; W15-W148 HydrophobicContact CZ3-CD2 4.44Å; W15-W148 AromaticContact CZ3-CE2 3.87Å; W15-W148 HydrophobicContact CZ3-CE3 4.39Å; W15-W148 AromaticContact CZ3-CH2 3.26Å; W15-W148 HydrophobicContact CZ3-CH2 3.26Å; W15-W148 AromaticContact CZ3-CZ2 3.32Å; W15-W148 HydrophobicContact CZ3-CZ2 3.32Å; W15-W148 AromaticContact CZ3-CZ3 3.83Å; W15-W148 HydrophobicContact CZ3-CZ3 3.83Å; W15-F205 HydrophobicContact CE3-CE1 4.23Å; W15-F205 HydrophobicContact CE3-CZ 4.46Å; W15-F205 HydrophobicContact CZ3-CE1 4.06Å
16V61.1Low74.2Confident0 Ų029.9 Ų29.90%018%0.178CC..Hα-helixtrans-79.6-28177.6-157.10000111.7M13 N14 D18 Y19 L20 I27 F144 W148M13-V16 HydrophobicContact CB-CG2 4.43Å; M13-V16 PolarHBondContact O-N 2.95Å; N14-V16 PolarHBondContact O-N 3.43Å; V16-D18 PolarHBondContact O-N 3.16Å; V16-Y19 PolarHBondContact O-N 3.12Å; V16-L20 HydrophobicContact CG1-CD1 3.74Å; V16-L20 HydrophobicContact CG1-CG 3.92Å; V16-L20 VanDerWaalsContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CB 3.43Å; V16-L20 WeakPolarHBondContact O-CG 3.2Å; V16-L20 PolarHBondContact O-N 3.46Å; V16-I27 HydrophobicContact CB-CB 4.26Å; V16-I27 HydrophobicContact CB-CD1 3.58Å; V16-I27 HydrophobicContact CB-CG1 3.97Å; V16-I27 HydrophobicContact CG1-CD1 3.11Å; V16-I27 HydrophobicContact CG1-CG1 3.82Å; V16-I27 HydrophobicContact CG2-CD1 3.92Å; V16-F144 HydrophobicContact CG1-CE1 4.03Å; V16-W148 HydrophobicContact CG1-CZ3 4.21Å
17N58.8Low73.4Confident30 Ų3030.1 Ų30.116%0.1618%0.18CC..Hα-helixtrans-66.3-29.6174.4-67.9-13.5000111.7S12 M13 N14 L20 S21 G26 I27S12-N17 PolarHBondContact OG-ND2 2.68Å; M13-N17 VanDerWaalsContact O-CG 3.25Å; M13-N17 PolarHBondContact O-N 3.06Å; M13-N17 VanDerWaalsContact O-N 3.1Å; M13-N17 PolarHBondContact O-ND2 2.94Å; N14-N17 CarbonylContact O-C 3.56Å; N14-N17 PolarHBondContact O-N 2.87Å; N14-N17 VanDerWaalsContact O-N 3.17Å; N17-L20 CarbonylContact O-C 3.07Å; N17-S21 WeakPolarHBondContact O-CA 3.26Å; N17-S21 VanDerWaalsContact O-CB 3.23Å; N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 2.8Å; N17-G26 WeakPolarHBondContact OD1-CA 3.36Å; N17-I27 PolarHBondContact OD1-N 2.95Å
18D60.6Low73.1Confident120 Ų12028.5 Ų28.564%0.64217%0.173SC*.Hα-helixtrans-72.7-42.2172.3-73.2-16.1000111.5N14 V16 L20 S21N14-D18 PolarHBondContact O-N 3.46Å; V16-D18 PolarHBondContact O-N 3.16Å; D18-L20 PolarHBondContact O-N 3.09Å; D18-S21 WeakPolarHBondContact O-CB 3.48Å; D18-S21 PolarHBondContact O-N 2.85Å; D18-S21 PolarHBondContact O-OG 3.13Å
19Y58.1Low72.8Confident43 Ų4328.8 Ų28.817%0.16918%0.175CC..Hα-helixtrans-63-40.8174.9-170.2-90.4000112.6W15 V16 C143 P209W15-Y19 PolarHBondContact O-N 3.27Å; V16-Y19 PolarHBondContact O-N 3.12Å; Y19-C143 VanDerWaalsContact CE1-O 3.24Å; Y19-C143 WeakPolarHBondContact CE1-O 3.43Å; Y19-C143 PolarHBondContact OH-O 3.39Å; Y19-P209 WeakPolarHBondContact OH-CD 2.95Å
20L63.6Low72.7Confident1 Ų128.8 Ų28.81%0.00518%0.175CC..THydrogen-bonded Turntrans-97.511.1179.2-61.5178000113.2V16 N17 D18 S22 V23 G24 I27 L130 F144 L213V16-L20 HydrophobicContact CG1-CD1 3.74Å; V16-L20 HydrophobicContact CG1-CG 3.92Å; V16-L20 VanDerWaalsContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CB 3.43Å; V16-L20 WeakPolarHBondContact O-CG 3.2Å; V16-L20 PolarHBondContact O-N 3.46Å; N17-L20 CarbonylContact O-C 3.07Å; D18-L20 PolarHBondContact O-N 3.09Å; L20-S22 PolarHBondContact O-N 2.84Å; L20-V23 HydrophobicContact CB-CB 4.34Å; L20-V23 HydrophobicContact CD2-CB 4.33Å; L20-V23 HydrophobicContact CD2-CG2 3.91Å; L20-V23 CarbonylContact O-C 3.6Å; L20-V23 WeakPolarHBondContact O-CA 3.35Å; L20-V23 PolarHBondContact O-N 2.67Å; L20-G24 PolarHBondContact O-N 3.48Å; L20-I27 HydrophobicContact CD1-CD1 3.85Å; L20-I27 HydrophobicContact CD1-CG1 3.74Å; L20-L130 HydrophobicContact CD1-CD1 4.23Å; L20-F144 HydrophobicContact CD1-CE1 3.83Å; L20-F144 HydrophobicContact CD1-CZ 3.64Å; L20-F144 HydrophobicContact CD2-CE1 3.89Å; L20-F144 HydrophobicContact CD2-CZ 3.69Å; L20-F144 HydrophobicContact CG-CE1 4.11Å; L20-F144 HydrophobicContact CG-CZ 4.15Å; L20-L213 HydrophobicContact CD2-CD2 4.26Å
21S61.1Low72.8Confident81 Ų8128.8 Ų28.857%0.56618%0.175SC*.G310 helixtrans-55.1-41.3179.354.80000110N17 D18 V23 G24N17-S21 WeakPolarHBondContact O-CA 3.26Å; N17-S21 VanDerWaalsContact O-CB 3.23Å; N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 2.8Å; D18-S21 WeakPolarHBondContact O-CB 3.48Å; D18-S21 PolarHBondContact O-N 2.85Å; D18-S21 PolarHBondContact O-OG 3.13Å; S21-V23 VanDerWaalsContact C-N 3.28Å; S21-V23 PolarHBondContact O-N 2.86Å; S21-G24 PolarHBondContact O-N 2.69Å
22S53.8Low73Confident54 Ų5428.8 Ų28.838%0.37818%0.175SC..G310 helixtrans-69.8-14.1174.354.30000114.8L20 M217L20-S22 PolarHBondContact O-N 2.84Å; S22-M217 WeakPolarHBondContact O-CE 3.16Å; S22-M217 WeakPolarHBondContact O-CG 3.21Å
23V56.7Low73.5Confident5 Ų529 Ų293%0.0317%0.174CC..G310 helixtrans-99.3-15.9175.5-166.90000111.6L20 S21 V25 L213 V216 M217 L220L20-V23 HydrophobicContact CB-CB 4.34Å; L20-V23 HydrophobicContact CD2-CB 4.33Å; L20-V23 HydrophobicContact CD2-CG2 3.91Å; L20-V23 CarbonylContact O-C 3.6Å; L20-V23 WeakPolarHBondContact O-CA 3.35Å; L20-V23 PolarHBondContact O-N 2.67Å; S21-V23 VanDerWaalsContact C-N 3.28Å; S21-V23 PolarHBondContact O-N 2.86Å; V23-V25 HydrophobicContact CG1-CB 4.45Å; V23-V25 HydrophobicContact CG1-CG2 3.88Å; V23-V25 PolarHBondContact O-N 2.75Å; V23-L213 HydrophobicContact CG2-CB 4.18Å; V23-L213 HydrophobicContact CG2-CD2 3.37Å; V23-L213 HydrophobicContact CG2-CG 4.27Å; V23-V216 HydrophobicContact CG1-CB 4.25Å; V23-V216 HydrophobicContact CG1-CG1 3.48Å; V23-V216 VanDerWaalsContact CG1-CG1 3.48Å; V23-M217 VanDerWaalsContact CA-SD 3.5Å; V23-L220 HydrophobicContact CG1-CD1 4.09Å
24G61.2Low74.3Confident61 Ų6128.9 Ų28.963%0.62917%0.173SC*.THydrogen-bonded Turntrans66.919.4-177.800000114L20 S21L20-G24 PolarHBondContact O-N 3.48Å; S21-G24 PolarHBondContact O-N 2.69Å
25V65.9Low75.6Confident8 Ų828.2 Ų28.25%0.04817%0.166CC..  trans-108108.9-179.9179.70000109V23 L130 I133V23-V25 HydrophobicContact CG1-CB 4.45Å; V23-V25 HydrophobicContact CG1-CG2 3.88Å; V23-V25 PolarHBondContact O-N 2.75Å; V25-L130 HydrophobicContact CG1-CB 4.32Å; V25-L130 HydrophobicContact CG1-CD1 3.92Å; V25-I133 HydrophobicContact CB-CD1 4.36Å; V25-I133 HydrophobicContact CG1-CD1 3.95Å; V25-I133 HydrophobicContact CG2-CD1 3.42Å; V25-I133 VanDerWaalsContact CG2-CD1 3.42Å
26G73.4Confident77.4Confident15 Ų1527.9 Ų27.916%0.15518%0.18CC..  trans-74.4130.417300000111.3N17N17-G26 WeakPolarHBondContact OD1-CA 3.36Å
27I81.7Confident79.2Confident5 Ų529 Ų293%0.02619%0.187CC..  trans-93.1130163.9-48.4-168.6000108.4M13 V16 N17 L20 L102 L130 F144M13-I27 HydrophobicContact CE-CB 4.23Å; M13-I27 HydrophobicContact CE-CG2 3.31Å; M13-I27 PolarHBondContact N-O 3.06Å; V16-I27 HydrophobicContact CB-CB 4.26Å; V16-I27 HydrophobicContact CB-CD1 3.58Å; V16-I27 HydrophobicContact CB-CG1 3.97Å; V16-I27 HydrophobicContact CG1-CD1 3.11Å; V16-I27 HydrophobicContact CG1-CG1 3.82Å; V16-I27 HydrophobicContact CG2-CD1 3.92Å; N17-I27 PolarHBondContact OD1-N 2.95Å; L20-I27 HydrophobicContact CD1-CD1 3.85Å; L20-I27 HydrophobicContact CD1-CG1 3.74Å; I27-L102 HydrophobicContact CD1-CD2 4.35Å; I27-L102 HydrophobicContact CG2-CD1 4.5Å; I27-L130 HydrophobicContact CD1-CD1 4.35Å; I27-L130 HydrophobicContact CD1-CD2 3.42Å; I27-L130 VanDerWaalsContact CD1-CD2 3.42Å; I27-L130 HydrophobicContact CD1-CG 4.4Å; I27-L130 HydrophobicContact CG1-CB 4.45Å; I27-L130 HydrophobicContact CG1-CD1 4.32Å; I27-L130 HydrophobicContact CG1-CD2 3.81Å; I27-L130 HydrophobicContact CG1-CG 4.42Å; I27-L130 HydrophobicContact CG2-CD2 4.22Å; I27-F144 HydrophobicContact CD1-CE1 4.23Å
28Y90.8Very high81.1Confident39 Ų3927.6 Ų27.615%0.15318%0.179CC..EExtended strand (participates in β ladder)trans-116.4143.8177.1-58.7-69.6000110.5V10 Y11 K69 N108 W126V10-Y28 HydrophobicContact CG1-CD1 4.15Å; V10-Y28 HydrophobicContact CG1-CG 4.16Å; Y11-Y28 VanDerWaalsContact O-CA 3.28Å; Y11-Y28 WeakPolarHBondContact O-CA 3.47Å; Y28-K69 HydrophobicContact CD1-CD 4.39Å; Y28-K69 HydrophobicContact CE1-CD 3.9Å; Y28-K69 PolarHBondContact OH-NZ 3.25Å; Y28-K69 VanDerWaalsContact OH-NZ 3.11Å; Y28-N108 PolarHBondContact O-ND2 2.86Å; Y28-N108 PolarHBondContact O-OD1 3.22Å; Y28-W126 HydrophobicContact CD1-CZ3 4.42Å; Y28-W126 HydrophobicContact CD2-CE3 4.05Å; Y28-W126 HydrophobicContact CD2-CZ3 4Å; Y28-W126 HydrophobicContact CE1-CZ3 4.47Å; Y28-W126 AromaticContact CE2-CE3 3.91Å; Y28-W126 HydrophobicContact CE2-CE3 3.91Å; Y28-W126 HydrophobicContact CE2-CZ3 4Å; Y28-W126 HydrophobicContact CG-CZ3 4.21Å
29H93.1Very high82.9Confident6 Ų622 Ų223%0.02815%0.149CC..EExtended strand (participates in β ladder)trans-97.1151161.2-179.468000108.8V10 Y11 M13 Y66 C107V10-H29 WeakPolarHBondContact CA-O 3.4Å; Y11-H29 AromaticContact CD2-CD2 3.84Å; Y11-H29 PolarHBondContact N-O 3.36Å; Y11-H29 PolarHBondContact O-N 3.42Å; M13-H29 HydrophobicContact CE-CB 4.03Å; M13-H29 HydrophobicContact CG-CB 4.45Å; H29-Y66 HydrophobicContact CB-CD1 3.9Å; H29-Y66 HydrophobicContact CB-CE1 3.62Å; H29-Y66 AromaticContact CG-CE1 3.81Å; H29-C107 VanDerWaalsContact ND1-CB 3.28Å; H29-C107 WeakPolarHBondContact ND1-CB 3.42Å; H29-C107 PolarHBondContact ND1-SG 3Å
30S97.1Very high84.8Confident0 Ų020 Ų200%014%0.141CC..EExtended strand (participates in β ladder)trans-142.8151170.6570000112.1N9 N108 T111N9-S30 CarbonylContact O-C 3.51Å; N9-S30 WeakPolarHBondContact O-CA 3.49Å; N9-S30 VanDerWaalsContact O-CB 3.3Å; N9-S30 WeakPolarHBondContact O-CB 3.41Å; S30-N108 PolarHBondContact N-OD1 3.36Å; S30-N108 PolarHBondContact OG-OD1 3.4Å; S30-T111 WeakPolarHBondContact O-CG2 3.39Å; S30-T111 PolarHBondContact OG-OG1 3.33Å
31G98.3Very high86.3Confident0 Ų020 Ų200%014%0.141CC..EExtended strand (participates in β ladder)trans-126.6153170.200000110.8L8 N9 Y39L8-G31 WeakPolarHBondContact CA-O 3.48Å; N9-G31 PolarHBondContact N-O 3.43Å; N9-G31 PolarHBondContact O-N 2.93Å; G31-Y39 CarbonylContact C-O 3.56Å; G31-Y39 VanDerWaalsContact CA-O 3.27Å; G31-Y39 WeakPolarHBondContact CA-O 3.35Å
32V98.7Very high87.8Confident0 Ų016.6 Ų16.60%012%0.119CC..EExtended strand (participates in β ladder)trans-100.2116.8173.7174.20000108.9V6 Y7 L8 E38 Y39 T111 L114 L118V6-V32 HydrophobicContact CG1-CG1 3.67Å; Y7-V32 CarbonylContact O-C 3.37Å; Y7-V32 WeakPolarHBondContact O-CA 3.33Å; L8-V32 HydrophobicContact CD1-CG2 4.26Å; V32-E38 WeakPolarHBondContact O-CA 3.13Å; V32-Y39 PolarHBondContact N-O 2.92Å; V32-Y39 PolarHBondContact O-N 3.22Å; V32-T111 HydrophobicContact CG2-CG2 3.91Å; V32-L114 HydrophobicContact CB-CD2 3.76Å; V32-L114 HydrophobicContact CB-CG 4.27Å; V32-L114 HydrophobicContact CG1-CD2 4.09Å; V32-L114 HydrophobicContact CG1-CG 4.23Å; V32-L114 HydrophobicContact CG2-CB 4.31Å; V32-L114 HydrophobicContact CG2-CD2 4.1Å; V32-L114 HydrophobicContact CG2-CG 4.26Å; V32-L118 HydrophobicContact CG1-CD1 4.04Å
33E98.6Very high89.4Confident25 Ų2517.1 Ų17.112%0.11711%0.113CC..EExtended strand (participates in β ladder)trans-95125.9175.5170-170.3167.900109.9Y7 N9 T37 E38 P56 K57Y7-E33 HydrophobicContact CD2-CG 4.45Å; Y7-E33 PolarHBondContact N-O 3.25Å; Y7-E33 PolarHBondContact O-N 3.03Å; N9-E33 WeakPolarHBondContact ND2-CB 3.39Å; N9-E33 PolarHBondContact ND2-OE2 2.86Å; N9-E33 PolarHBondContact OD1-OE2 2.99Å; E33-T37 WeakPolarHBondContact CA-O 3.2Å; E33-E38 HydrophobicContact CB-CB 4.3Å; E33-P56 HydrophobicContact CG-CB 3.99Å; E33-P56 HydrophobicContact CG-CG 3.96Å; E33-K57 IonicContact OE1-NZ 3.48Å; E33-K57 PolarHBondContact OE1-NZ 3.41Å; E33-K57 VanDerWaalsContact OE2-CE 3.23Å; E33-K57 WeakPolarHBondContact OE2-CE 3.23Å; E33-K57 IonicContact OE2-NZ 2.86Å; E33-K57 PolarHBondContact OE2-NZ 3.27Å
34V98.5Very high90.9Very high2 Ų217.1 Ų17.11%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-151.2140.417361.70000108.4E4 V6 G36 T37 Y39 T77 V84 L118E4-V34 HydrophobicContact CG-CG2 3.78Å; V6-V34 HydrophobicContact CG2-CB 4.43Å; V6-V34 HydrophobicContact CG2-CG2 4.07Å; V34-G36 PolarHBondContact O-N 3.46Å; V34-G36 VanDerWaalsContact O-N 3.11Å; V34-T37 PolarHBondContact N-O 3.15Å; V34-T37 PolarHBondContact O-N 3.43Å; V34-T37 VanDerWaalsContact O-N 3.08Å; V34-Y39 HydrophobicContact CG1-CD2 4.23Å; V34-Y39 HydrophobicContact CG1-CE2 3.86Å; V34-T77 HydrophobicContact CG2-CG2 3.88Å; V34-V84 HydrophobicContact CG1-CG1 3.64Å; V34-V84 HydrophobicContact CG1-CG2 4.31Å; V34-V84 HydrophobicContact CG2-CG2 4.47Å; V34-L118 HydrophobicContact CG1-CD1 4.16Å
35Y97.8Very high92Very high43 Ų4320.5 Ų20.517%0.16911%0.106CC..THydrogen-bonded Turntrans55.528.9-178.2-71.1-62.3000114.6E4 T37 F79 R81 V84E4-Y35 HydrophobicContact CB-CD1 4.4Å; E4-Y35 HydrophobicContact CB-CE1 3.79Å; E4-Y35 HydrophobicContact CB-CE2 4.22Å; E4-Y35 HydrophobicContact CG-CD1 3.6Å; E4-Y35 HydrophobicContact CG-CD2 4.04Å; E4-Y35 HydrophobicContact CG-CE1 3.5Å; E4-Y35 HydrophobicContact CG-CE2 3.95Å; E4-Y35 HydrophobicContact CG-CG 3.86Å; E4-Y35 WeakPolarHBondContact OE1-CA 3.33Å; E4-Y35 PolarHBondContact OE1-N 2.87Å; E4-Y35 VanDerWaalsContact OE1-N 3.13Å; E4-Y35 WeakPolarHBondContact OE2-CE1 2.9Å; Y35-T37 VanDerWaalsContact C-N 3.27Å; Y35-T37 PolarHBondContact O-N 3.02Å; Y35-F79 WeakPolarHBondContact CE2-O 3.32Å; Y35-F79 PolarHBondContact OH-O 3.12Å; Y35-R81 HydrophobicContact CD2-CB 3.93Å; Y35-R81 HydrophobicContact CD2-CG 4.43Å; Y35-R81 HydrophobicContact CE2-CB 4.16Å; Y35-R81 HydrophobicContact CG-CB 4.15Å; Y35-R81 HydrophobicContact CG-CG 4.47Å; Y35-R81 VanDerWaalsContact O-CZ 3.28Å; Y35-R81 PolarHBondContact O-NH1 3.17Å; Y35-R81 PolarHBondContact O-NH2 3.13Å; Y35-V84 HydrophobicContact CD2-CG2 4.22Å; Y35-V84 HydrophobicContact CE2-CG2 4.19Å
36G97.1Very high92.9Very high48 Ų4822.5 Ų22.550%0.49512%0.116SC..THydrogen-bonded Turntrans73.611.5-179.500000115.1V34 P56V34-G36 PolarHBondContact O-N 3.46Å; V34-G36 VanDerWaalsContact O-N 3.11Å; G36-P56 VanDerWaalsContact O-CD 3.31Å; G36-P56 WeakPolarHBondContact O-CD 3.35Å; G36-P56 VanDerWaalsContact O-CG 3.27Å; G36-P56 WeakPolarHBondContact O-CG 3.4Å
37T98.3Very high93.6Very high23 Ų2328.3 Ų28.314%0.14114%0.139CC..EExtended strand (participates in β ladder)trans-115.6131.9173.9-58.90000108.5E33 V34 Y35 Y39 E53E33-T37 WeakPolarHBondContact CA-O 3.2Å; V34-T37 PolarHBondContact N-O 3.15Å; V34-T37 PolarHBondContact O-N 3.43Å; V34-T37 VanDerWaalsContact O-N 3.08Å; Y35-T37 VanDerWaalsContact C-N 3.27Å; Y35-T37 PolarHBondContact O-N 3.02Å; T37-Y39 HydrophobicContact CG2-CD2 4.47Å; T37-Y39 HydrophobicContact CG2-CE1 4.01Å; T37-Y39 HydrophobicContact CG2-CE2 3.95Å; T37-E53 HydrophobicContact CG2-CB 3.97Å; T37-E53 HydrophobicContact CG2-CG 3.74Å; T37-E53 WeakPolarHBondContact CG2-OE2 3.49Å
38E98.5Very high94Very high0 Ų031.7 Ų31.70%016%0.157CC..EExtended strand (participates in β ladder)trans-102.8119.6174.7-177.2175.2161.100110.8N9 Y11 V32 E33 E53 I54 P56 K57N9-E38 WeakPolarHBondContact CB-OE1 2.92Å; N9-E38 PolarHBondContact ND2-OE2 2.88Å; Y11-E38 WeakPolarHBondContact CE2-OE1 3.32Å; Y11-E38 PolarHBondContact OH-OE1 3.49Å; Y11-E38 PolarHBondContact OH-OE2 3.42Å; V32-E38 WeakPolarHBondContact O-CA 3.13Å; E33-E38 HydrophobicContact CB-CB 4.3Å; E38-E53 WeakPolarHBondContact O-CA 3.37Å; E38-I54 HydrophobicContact CB-CG1 3.85Å; E38-I54 HydrophobicContact CG-CD1 4.34Å; E38-I54 HydrophobicContact CG-CG1 4.06Å; E38-I54 PolarHBondContact N-O 3.43Å; E38-I54 PolarHBondContact O-N 2.97Å; E38-P56 HydrophobicContact CB-CB 4.33Å; E38-P56 HydrophobicContact CB-CG 4.32Å; E38-P56 VanDerWaalsContact OE2-CA 3.3Å; E38-P56 WeakPolarHBondContact OE2-CA 3.34Å; E38-K57 PolarHBondContact OE2-N 3.33Å
39Y98.6Very high94.1Very high3 Ų331.8 Ų31.81%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-94.9123.4178.5-61-81.8000110.4G31 V32 V34 T37 E53 V84 L85 V88G31-Y39 CarbonylContact C-O 3.56Å; G31-Y39 VanDerWaalsContact CA-O 3.27Å; G31-Y39 WeakPolarHBondContact CA-O 3.35Å; V32-Y39 PolarHBondContact N-O 2.92Å; V32-Y39 PolarHBondContact O-N 3.22Å; V34-Y39 HydrophobicContact CG1-CD2 4.23Å; V34-Y39 HydrophobicContact CG1-CE2 3.86Å; T37-Y39 HydrophobicContact CG2-CD2 4.47Å; T37-Y39 HydrophobicContact CG2-CE1 4.01Å; T37-Y39 HydrophobicContact CG2-CE2 3.95Å; Y39-E53 HydrophobicContact CD1-CG 3.75Å; Y39-E53 HydrophobicContact CE1-CG 3.63Å; Y39-E53 VanDerWaalsContact CE1-OE1 3.29Å; Y39-E53 WeakPolarHBondContact CE1-OE1 3.28Å; Y39-V84 HydrophobicContact CE2-CG1 3.74Å; Y39-L85 WeakPolarHBondContact OH-CD2 3.29Å; Y39-V88 HydrophobicContact CD1-CB 4.28Å; Y39-V88 HydrophobicContact CD1-CG1 3.72Å; Y39-V88 HydrophobicContact CD1-CG2 3.81Å; Y39-V88 HydrophobicContact CD2-CG2 4.28Å; Y39-V88 HydrophobicContact CE1-CB 4.25Å; Y39-V88 HydrophobicContact CE1-CG1 3.97Å; Y39-V88 HydrophobicContact CE1-CG2 3.93Å; Y39-V88 HydrophobicContact CE2-CG2 4.4Å; Y39-V88 HydrophobicContact CG-CG2 3.98Å
40C97.4Very high94.2Very high0 Ų031.5 Ų31.50%016%0.162CC..EExtended strand (participates in β ladder)trans-124.1157.8-176.9-67.20000110.5I51 F52C40-I51 CarbonylContact O-C 3.46Å; C40-I51 WeakPolarHBondContact O-CA 3.37Å; C40-I51 WeakPolarHBondContact O-CG2 3.44Å; C40-F52 HydrophobicContact CB-CD1 4.02Å; C40-F52 HydrophobicContact CB-CD2 4.08Å; C40-F52 HydrophobicContact CB-CE1 3.48Å; C40-F52 VanDerWaalsContact CB-CE1 3.48Å; C40-F52 HydrophobicContact CB-CE2 3.57Å; C40-F52 HydrophobicContact CB-CG 4.3Å; C40-F52 HydrophobicContact CB-CZ 3.24Å; C40-F52 PolarHBondContact N-O 3.08Å; C40-F52 WeakPolarHBondContact O-CD1 3.49Å; C40-F52 PolarHBondContact O-N 2.9Å
41F95.7Very high94.2Very high1 Ų132.5 Ų32.50%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-125.2131175.2170.1-122.7000110.8G50 I51 Y95 Y100 N106 C107 F110F41-G50 WeakPolarHBondContact CA-O 3.5Å; F41-G50 WeakPolarHBondContact CD2-O 3.27Å; F41-I51 HydrophobicContact CD2-CG1 4.42Å; F41-Y95 AromaticContact CD1-CD1 3.85Å; F41-Y95 HydrophobicContact CD1-CD1 3.85Å; F41-Y95 HydrophobicContact CD2-CD1 4.43Å; F41-Y95 AromaticContact CE1-CD1 3.81Å; F41-Y95 HydrophobicContact CE1-CD1 3.81Å; F41-Y95 HydrophobicContact CE2-CD1 4.42Å; F41-Y95 WeakPolarHBondContact CE2-O 3.35Å; F41-Y95 HydrophobicContact CG-CD1 4.19Å; F41-Y95 HydrophobicContact CZ-CD1 4.12Å; F41-Y100 AromaticContact CD1-CD2 3.69Å; F41-Y100 HydrophobicContact CD1-CD2 3.69Å; F41-Y100 AromaticContact CD1-CE2 3.84Å; F41-Y100 HydrophobicContact CD1-CE2 3.84Å; F41-Y100 AromaticContact CE1-CD2 3.28Å; F41-Y100 HydrophobicContact CE1-CD2 3.28Å; F41-Y100 AromaticContact CE1-CE2 3.83Å; F41-Y100 HydrophobicContact CE1-CE2 3.83Å; F41-Y100 HydrophobicContact CE1-CG 4.16Å; F41-Y100 HydrophobicContact CE2-CD2 4.16Å; F41-Y100 HydrophobicContact CG-CD2 4.3Å; F41-Y100 AromaticContact CZ-CD2 3.55Å; F41-Y100 HydrophobicContact CZ-CD2 3.55Å; F41-Y100 HydrophobicContact CZ-CE2 4.49Å; F41-Y100 HydrophobicContact CZ-CG 4.18Å; F41-N106 WeakPolarHBondContact CD1-O 3.5Å; F41-C107 WeakPolarHBondContact O-CB 3.49Å; F41-F110 HydrophobicContact CB-CB 3.59Å; F41-F110 HydrophobicContact CB-CD1 3.47Å; F41-F110 VanDerWaalsContact CB-CD1 3.47Å; F41-F110 HydrophobicContact CB-CD2 4.33Å; F41-F110 HydrophobicContact CB-CE1 4.23Å; F41-F110 HydrophobicContact CB-CG 3.51Å; F41-F110 HydrophobicContact CD1-CB 3.86Å; F41-F110 HydrophobicContact CG-CB 3.98Å; F41-F110 HydrophobicContact CG-CG 4.26Å
42G92.1Very high94.1Very high10 Ų1034 Ų3410%0.10317%0.174CC..  trans-141.3168.3-172.600000113.6G50 G97G42-G50 PolarHBondContact N-O 2.85Å; G42-G97 WeakPolarHBondContact O-CA 3.47Å
43R88.7Confident94Very high66 Ų6638.6 Ų38.625%0.24920%0.195CC..  trans-88.5137179-176.3-179.6178.6121.4-4.1111.1Y100 E147 T150R43-Y100 HydrophobicContact CB-CD1 3.84Å; R43-Y100 HydrophobicContact CB-CD2 4.42Å; R43-Y100 HydrophobicContact CB-CG 3.75Å; R43-Y100 HydrophobicContact CG-CD1 4.47Å; R43-Y100 HydrophobicContact CG-CG 4.48Å; R43-E147 PolarHBondContact NH1-O 2.85Å; R43-E147 PolarHBondContact NH2-O 2.82Å; R43-T150 PolarHBondContact NH1-O 3.34Å; R43-T150 PolarHBondContact NH2-O 2.93Å
44H86.6Confident93.8Very high4 Ų437.8 Ų37.82%0.01919%0.192CC..  trans-154.2168.7164.359.670.2000110.2L46 L48 S49 G50 G97 N98 E170H44-L46 PolarHBondContact CE1-O 3.41Å; H44-L46 PolarHBondContact ND1-N 2.84Å; H44-L46 PolarHBondContact ND1-O 3.08Å; H44-L48 PolarHBondContact CE1-O 2.95Å; H44-S49 PolarHBondContact NE2-O 2.79Å; H44-G50 WeakPolarHBondContact NE2-CA 3.37Å; H44-G97 PolarHBondContact N-O 2.74Å; H44-G97 CarbonylContact O-C 3.54Å; H44-N98 WeakPolarHBondContact O-CA 3.22Å; H44-N98 PolarHBondContact O-N 2.91Å; H44-E170 WeakPolarHBondContact CA-OE1 3.49Å; H44-E170 HydrophobicContact CB-CG 3.47Å; H44-E170 VanDerWaalsContact CB-CG 3.47Å; H44-E170 WeakPolarHBondContact CB-OE1 3.43Å
45R85.6Confident93.7Very high133 Ų13344 Ų4450%0.50222%0.221SC..SBendtrans-84.8-20.2-175.9-62.6179.2-179.6-1045.3114.4A152 E170R45-A152 HydrophobicContact CG-CB 4.18Å; R45-E170 PolarHBondContact N-OE1 3.03Å
46L83.7Confident93.8Very high50 Ų5043.4 Ų43.426%0.26222%0.222SC..SBendtrans-69.6148.7-177.5-53.8174.5000112H44 L48 L173H44-L46 PolarHBondContact CE1-O 3.41Å; H44-L46 PolarHBondContact ND1-N 2.84Å; H44-L46 PolarHBondContact ND1-O 3.08Å; L46-L48 HydrophobicContact CB-CB 4.35Å; L46-L48 HydrophobicContact CB-CD1 4.16Å; L46-L48 HydrophobicContact CB-CG 4.11Å; L46-L48 HydrophobicContact CD1-CD1 4Å; L46-L48 PolarHBondContact O-N 3.11Å; L46-L173 HydrophobicContact CD1-CB 3.97Å; L46-L173 HydrophobicContact CD1-CD1 4.41Å
47E88.1Confident93.7Very high136 Ų13644.8 Ų44.864%0.63621%0.214SC*.SBendtrans-77.646.2172.5-55.3-164.1148.800112.1A154E47-A154 HydrophobicContact CG-CB 4.08Å
48L90.3Very high93.4Very high76 Ų7644.8 Ų44.840%0.39822%0.215SC..SBendtrans-116.5165.5-179.4-62.9177000110.4H44 L46 G50 Q96 G97 L173H44-L48 PolarHBondContact CE1-O 2.95Å; L46-L48 HydrophobicContact CB-CB 4.35Å; L46-L48 HydrophobicContact CB-CD1 4.16Å; L46-L48 HydrophobicContact CB-CG 4.11Å; L46-L48 HydrophobicContact CD1-CD1 4Å; L46-L48 PolarHBondContact O-N 3.11Å; L48-G50 PolarHBondContact O-N 3.11Å; L48-Q96 VanDerWaalsContact O-CA 3.31Å; L48-Q96 WeakPolarHBondContact O-CA 3.18Å; L48-G97 PolarHBondContact O-N 2.82Å; L48-L173 HydrophobicContact CD1-CB 4.45Å; L48-L173 HydrophobicContact CD1-CD1 4.45Å; L48-L173 HydrophobicContact CD1-CD2 4.38Å
49S93.3Very high93.1Very high42 Ų4247.4 Ų47.429%0.29423%0.227SC..BIsolated β-bridgetrans-53127.5169.2176.30000109.4H44 I51 G92H44-S49 PolarHBondContact NE2-O 2.79Å; S49-I51 WeakPolarHBondContact OG-CB 3.41Å; S49-I51 PolarHBondContact OG-N 3.33Å; S49-I51 VanDerWaalsContact OG-N 3.09Å; S49-G92 WeakPolarHBondContact OG-CA 3.27Å
50G95Very high92.7Very high0 Ų054.6 Ų54.60%026%0.261CS..  trans-82.60.3170.900000112.6F41 G42 H44 L48 F52 Y95 G97F41-G50 WeakPolarHBondContact CA-O 3.5Å; F41-G50 WeakPolarHBondContact CD2-O 3.27Å; G42-G50 PolarHBondContact N-O 2.85Å; H44-G50 WeakPolarHBondContact NE2-CA 3.37Å; L48-G50 PolarHBondContact O-N 3.11Å; G50-F52 WeakPolarHBondContact O-CD1 3.08Å; G50-Y95 PolarHBondContact N-O 3.1Å; G50-G97 VanDerWaalsContact N-N 3.17Å
51I97Very high92.3Very high21 Ų2157 Ų5711%0.10827%0.272CS..EExtended strand (participates in β ladder)trans-78.6134.4175-53167.3000108.9C40 F41 S49 V88 M91 F110C40-I51 CarbonylContact O-C 3.46Å; C40-I51 WeakPolarHBondContact O-CA 3.37Å; C40-I51 WeakPolarHBondContact O-CG2 3.44Å; F41-I51 HydrophobicContact CD2-CG1 4.42Å; S49-I51 WeakPolarHBondContact OG-CB 3.41Å; S49-I51 PolarHBondContact OG-N 3.33Å; S49-I51 VanDerWaalsContact OG-N 3.09Å; I51-V88 HydrophobicContact CD1-CG1 4.37Å; I51-V88 HydrophobicContact CG2-CG1 3.72Å; I51-M91 HydrophobicContact CD1-CB 3.84Å; I51-F110 HydrophobicContact CB-CZ 4.48Å; I51-F110 HydrophobicContact CD1-CD2 4.1Å; I51-F110 HydrophobicContact CD1-CE2 3.44Å; I51-F110 VanDerWaalsContact CD1-CE2 3.44Å; I51-F110 HydrophobicContact CD1-CZ 4.03Å; I51-F110 HydrophobicContact CG1-CD2 4.14Å; I51-F110 HydrophobicContact CG1-CE2 3.7Å; I51-F110 HydrophobicContact CG1-CZ 4Å; I51-F110 HydrophobicContact CG2-CE1 4.27Å; I51-F110 HydrophobicContact CG2-CE2 4.22Å; I51-F110 HydrophobicContact CG2-CZ 3.67Å
52F95.6Very high92Very high32 Ų3257.8 Ų57.814%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-142.4162.8179.463.9-79.6000111.3C40 G50 I54 L62 L169C40-F52 HydrophobicContact CB-CD1 4.02Å; C40-F52 HydrophobicContact CB-CD2 4.08Å; C40-F52 HydrophobicContact CB-CE1 3.48Å; C40-F52 VanDerWaalsContact CB-CE1 3.48Å; C40-F52 HydrophobicContact CB-CE2 3.57Å; C40-F52 HydrophobicContact CB-CG 4.3Å; C40-F52 HydrophobicContact CB-CZ 3.24Å; C40-F52 PolarHBondContact N-O 3.08Å; C40-F52 WeakPolarHBondContact O-CD1 3.49Å; C40-F52 PolarHBondContact O-N 2.9Å; G50-F52 WeakPolarHBondContact O-CD1 3.08Å; F52-I54 HydrophobicContact CD2-CG2 3.74Å; F52-I54 HydrophobicContact CE2-CG2 3.59Å; F52-L62 HydrophobicContact CE2-CD2 3.93Å; F52-L62 HydrophobicContact CZ-CD2 3.89Å; F52-L169 HydrophobicContact CB-CD2 3.36Å; F52-L169 HydrophobicContact CD1-CD1 3.65Å; F52-L169 HydrophobicContact CD1-CD2 3.49Å; F52-L169 VanDerWaalsContact CD1-CD2 3.49Å; F52-L169 HydrophobicContact CD1-CG 4.01Å; F52-L169 HydrophobicContact CD2-CD2 4.05Å; F52-L169 HydrophobicContact CD2-CG 4.38Å; F52-L169 HydrophobicContact CE1-CD1 3.55Å; F52-L169 HydrophobicContact CE1-CD2 4.27Å; F52-L169 HydrophobicContact CE1-CG 4.3Å; F52-L169 HydrophobicContact CE2-CD1 4.46Å; F52-L169 HydrophobicContact CG-CD1 4.19Å; F52-L169 HydrophobicContact CG-CD2 3.36Å; F52-L169 HydrophobicContact CG-CG 4.06Å; F52-L169 HydrophobicContact CZ-CD1 3.97Å
53E96.6Very high91.8Very high95 Ų9557.9 Ų57.944%0.44428%0.278SS..EExtended strand (participates in β ladder)trans-107.5142.7179-62.9178.3-166.300110.1T37 E38 Y39 R172T37-E53 HydrophobicContact CG2-CB 3.97Å; T37-E53 HydrophobicContact CG2-CG 3.74Å; T37-E53 WeakPolarHBondContact CG2-OE2 3.49Å; E38-E53 WeakPolarHBondContact O-CA 3.37Å; Y39-E53 HydrophobicContact CD1-CG 3.75Å; Y39-E53 HydrophobicContact CE1-CG 3.63Å; Y39-E53 VanDerWaalsContact CE1-OE1 3.29Å; Y39-E53 WeakPolarHBondContact CE1-OE1 3.28Å; E53-R172 PolarHBondContact O-NH1 3.09Å
54I95.7Very high91.5Very high9 Ų962.3 Ų62.35%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-132.7161.2169.564.2174.3000110E38 F52 E61 L62E38-I54 HydrophobicContact CB-CG1 3.85Å; E38-I54 HydrophobicContact CG-CD1 4.34Å; E38-I54 HydrophobicContact CG-CG1 4.06Å; E38-I54 PolarHBondContact N-O 3.43Å; E38-I54 PolarHBondContact O-N 2.97Å; F52-I54 HydrophobicContact CD2-CG2 3.74Å; F52-I54 HydrophobicContact CE2-CG2 3.59Å; I54-E61 HydrophobicContact CB-CB 4.16Å; I54-E61 HydrophobicContact CG2-CB 3.8Å; I54-L62 HydrophobicContact CD1-CD1 4.23Å; I54-L62 HydrophobicContact CD1-CD2 4.05Å; I54-L62 HydrophobicContact CD1-CG 4.02Å
55E96.7Very high91.4Very high133 Ų13365.3 Ų65.362%0.62132%0.322SS*.  trans-60.9133162.3-174.9175.6-179.400109.1K57 C58 E61E55-K57 PolarHBondContact O-N 3.49Å; E55-C58 HydrophobicContact CB-CB 3.92Å; E55-C58 WeakPolarHBondContact O-CB 3.39Å; E55-C58 PolarHBondContact O-N 2.77Å; E55-C58 VanDerWaalsContact O-N 3.1Å; E55-E61 WeakPolarHBondContact CB-OE1 3.43Å; E55-E61 PolarHBondContact N-OE1 2.83Å
56P98.2Very high91.5Very high29 Ų2961.4 Ų61.419%0.18831%0.308CS..THydrogen-bonded Turntrans-55.6130.1-174.9-26.734000112.5E33 G36 E38 C58E33-P56 HydrophobicContact CG-CB 3.99Å; E33-P56 HydrophobicContact CG-CG 3.96Å; G36-P56 VanDerWaalsContact O-CD 3.31Å; G36-P56 WeakPolarHBondContact O-CD 3.35Å; G36-P56 VanDerWaalsContact O-CG 3.27Å; G36-P56 WeakPolarHBondContact O-CG 3.4Å; E38-P56 HydrophobicContact CB-CB 4.33Å; E38-P56 HydrophobicContact CB-CG 4.32Å; E38-P56 VanDerWaalsContact OE2-CA 3.3Å; E38-P56 WeakPolarHBondContact OE2-CA 3.34Å; P56-C58 PolarHBondContact O-N 2.72Å
57K96.4Very high91.9Very high77 Ų7764.6 Ų64.634%0.33532%0.32SS..THydrogen-bonded Turntrans69.311.6175.9-47.4163.2-172.4124.60113.9N9 Y11 E33 E38 E55 E59 F68N9-K57 VanDerWaalsContact OD1-CE 3.27Å; N9-K57 WeakPolarHBondContact OD1-CE 3.43Å; Y11-K57 WeakPolarHBondContact OH-CA 3.3Å; Y11-K57 PolarHBondContact OH-N 2.91Å; E33-K57 IonicContact OE1-NZ 3.48Å; E33-K57 PolarHBondContact OE1-NZ 3.41Å; E33-K57 VanDerWaalsContact OE2-CE 3.23Å; E33-K57 WeakPolarHBondContact OE2-CE 3.23Å; E33-K57 IonicContact OE2-NZ 2.86Å; E33-K57 PolarHBondContact OE2-NZ 3.27Å; E38-K57 PolarHBondContact OE2-N 3.33Å; E55-K57 PolarHBondContact O-N 3.49Å; K57-E59 PolarHBondContact O-N 2.64Å; K57-E59 VanDerWaalsContact O-N 3.16Å; K57-F68 HydrophobicContact CB-CD2 4.04Å; K57-F68 HydrophobicContact CB-CE2 4.13Å; K57-F68 HydrophobicContact CB-CG 4.42Å; K57-F68 HydrophobicContact CD-CE2 4.04Å; K57-F68 HydrophobicContact CD-CZ 3.92Å; K57-F68 HydrophobicContact CG-CD2 4Å; K57-F68 HydrophobicContact CG-CE2 3.59Å; K57-F68 HydrophobicContact CG-CZ 4Å
58C92.4Very high92.2Very high23 Ų2361.1 Ų61.116%0.15530%0.302CS..  trans-79.292.2176.7-168.20000110.6E55 P56 E60 E61E55-C58 HydrophobicContact CB-CB 3.92Å; E55-C58 WeakPolarHBondContact O-CB 3.39Å; E55-C58 PolarHBondContact O-N 2.77Å; E55-C58 VanDerWaalsContact O-N 3.1Å; P56-C58 PolarHBondContact O-N 2.72Å; C58-E60 PolarHBondContact O-N 3.5Å; C58-E61 HydrophobicContact CB-CG 4.41Å; C58-E61 PolarHBondContact O-N 3.41Å
59E91Very high92.3Very high56 Ų5662.6 Ų62.626%0.26231%0.306SS..Hα-helixtrans-61.6-32.8178.5-64.4173.2-167.400111.8Y11 K57 E61 L62 G63 F68Y11-E59 HydrophobicContact CD1-CG 4.13Å; Y11-E59 HydrophobicContact CE1-CG 4.19Å; K57-E59 PolarHBondContact O-N 2.64Å; K57-E59 VanDerWaalsContact O-N 3.16Å; E59-E61 PolarHBondContact O-N 3.2Å; E59-L62 PolarHBondContact O-N 3.37Å; E59-G63 PolarHBondContact O-N 3.31Å; E59-F68 HydrophobicContact CG-CB 3.85Å; E59-F68 VanDerWaalsContact OE1-CA 3.3Å; E59-F68 WeakPolarHBondContact OE1-CA 3.31Å; E59-F68 WeakPolarHBondContact OE1-CB 3.27Å; E59-F68 PolarHBondContact OE1-N 3.15Å
60E89.9Confident92.5Very high153 Ų15363 Ų6372%0.71531%0.306SS*.Hα-helixtrans-61.7-30.4-178.2-62.983.8173.900112.5C58C58-E60 PolarHBondContact O-N 3.5Å
61E90.7Very high92.7Very high50 Ų5064.7 Ų64.723%0.23432%0.318CS..Hα-helixtrans-75.8-24.1175.5-74-168.3-111.100113.2I54 E55 C58 E59 R172I54-E61 HydrophobicContact CB-CB 4.16Å; I54-E61 HydrophobicContact CG2-CB 3.8Å; E55-E61 WeakPolarHBondContact CB-OE1 3.43Å; E55-E61 PolarHBondContact N-OE1 2.83Å; C58-E61 HydrophobicContact CB-CG 4.41Å; C58-E61 PolarHBondContact O-N 3.41Å; E59-E61 PolarHBondContact O-N 3.2Å; E61-R172 IonicContact OE2-CZ 3.21Å; E61-R172 IonicContact OE2-NH1 3.75Å; E61-R172 PolarHBondContact OE2-NH1 3.06Å; E61-R172 IonicContact OE2-NH2 2.69Å; E61-R172 PolarHBondContact OE2-NH2 3.24Å
62L89.2Confident92.7Very high19 Ų1965.4 Ų65.410%0.09932%0.322CS..Hα-helixtrans-86.2-32.5176.3-62.9175.7000112Y11 F52 I54 E59 Y66Y11-L62 HydrophobicContact CD1-CD1 3.77Å; Y11-L62 HydrophobicContact CD2-CD1 3.94Å; Y11-L62 HydrophobicContact CE1-CD1 3.76Å; Y11-L62 HydrophobicContact CE2-CD1 3.93Å; Y11-L62 HydrophobicContact CG-CD1 3.87Å; F52-L62 HydrophobicContact CE2-CD2 3.93Å; F52-L62 HydrophobicContact CZ-CD2 3.89Å; I54-L62 HydrophobicContact CD1-CD1 4.23Å; I54-L62 HydrophobicContact CD1-CD2 4.05Å; I54-L62 HydrophobicContact CD1-CG 4.02Å; E59-L62 PolarHBondContact O-N 3.37Å; L62-Y66 HydrophobicContact CB-CD1 4.09Å; L62-Y66 HydrophobicContact CB-CD2 3.68Å; L62-Y66 HydrophobicContact CB-CE2 4.26Å; L62-Y66 HydrophobicContact CB-CG 3.58Å; L62-Y66 HydrophobicContact CD1-CD1 4.08Å; L62-Y66 HydrophobicContact CD1-CG 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 VanDerWaalsContact O-CE2 3.32Å; L62-Y66 WeakPolarHBondContact O-CE2 3.42Å
63G87.2Confident92.9Very high12 Ų1267 Ų6712%0.12433%0.332CS..  trans115.7164.9177.700000113.4E59 D65 Y66E59-G63 PolarHBondContact O-N 3.31Å; G63-D65 PolarHBondContact O-N 2.9Å; G63-Y66 PolarHBondContact O-N 3.45Å
64D83.4Confident92.9Very high158 Ų15862.9 Ų62.985%0.84531%0.312SS*.THydrogen-bonded Turntrans-57.7-20.9-169-60.6-25.6000115.4Y66D64-Y66 VanDerWaalsContact C-N 3.33Å
65D83.5Confident93Very high67 Ų6763.2 Ų63.236%0.35832%0.318SS..THydrogen-bonded Turntrans-83.3-9.3-179.7-71.3-43.8000114.2N14 W15 G63N14-D65 PolarHBondContact N-O 3Å; W15-D65 HydrophobicContact CB-CB 4.09Å; W15-D65 HydrophobicContact CG-CB 3.94Å; G63-D65 PolarHBondContact O-N 2.9Å
66Y88.3Confident93.1Very high51 Ų5162.4 Ų62.420%0.231%0.31CS..EExtended strand (participates in β ladder)trans-96.7134.4178.7-67-97.2000109.9M13 H29 L62 G63 D64M13-Y66 HydrophobicContact CG-CD1 3.81Å; M13-Y66 HydrophobicContact CG-CE1 3.48Å; M13-Y66 VanDerWaalsContact CG-CE1 3.48Å; M13-Y66 HydrophobicContact SD-CE1 3.77Å; H29-Y66 HydrophobicContact CB-CD1 3.9Å; H29-Y66 HydrophobicContact CB-CE1 3.62Å; H29-Y66 AromaticContact CG-CE1 3.81Å; L62-Y66 HydrophobicContact CB-CD1 4.09Å; L62-Y66 HydrophobicContact CB-CD2 3.68Å; L62-Y66 HydrophobicContact CB-CE2 4.26Å; L62-Y66 HydrophobicContact CB-CG 3.58Å; L62-Y66 HydrophobicContact CD1-CD1 4.08Å; L62-Y66 HydrophobicContact CD1-CG 4.22Å; L62-Y66 WeakPolarHBondContact O-CD2 3.27Å; L62-Y66 VanDerWaalsContact O-CE2 3.32Å; L62-Y66 WeakPolarHBondContact O-CE2 3.42Å; G63-Y66 PolarHBondContact O-N 3.45Å; D64-Y66 VanDerWaalsContact C-N 3.33Å
67K91Very high93.1Very high118 Ų11861.2 Ų61.251%0.51330%0.302SS..EExtended strand (participates in β ladder)trans-133118.3173.8-171.6160.5-173.4165.90111Y11 S12 K69Y11-K67 CarbonylContact C-O 3.55Å; Y11-K67 WeakPolarHBondContact CA-O 3.44Å; S12-K67 PolarHBondContact N-O 2.89Å; S12-K67 PolarHBondContact O-N 2.91Å; K67-K69 PolarHBondContact O-N 3.43Å
68F94.2Very high93.1Very high62 Ų6262.8 Ų62.827%0.27231%0.314SS..EExtended strand (participates in β ladder)trans-54133.1173.9178.9-103.4000109.3N9 Y11 K57 E59 V70N9-F68 HydrophobicContact CB-CE2 4.18Å; Y11-F68 VanDerWaalsContact CD1-CA 3.48Å; Y11-F68 HydrophobicContact CD1-CB 3.86Å; Y11-F68 HydrophobicContact CD1-CD2 4.26Å; Y11-F68 HydrophobicContact CE1-CB 3.89Å; Y11-F68 AromaticContact CE1-CD2 3.86Å; Y11-F68 HydrophobicContact CE1-CD2 3.86Å; Y11-F68 HydrophobicContact CE1-CG 4.37Å; K57-F68 HydrophobicContact CB-CD2 4.04Å; K57-F68 HydrophobicContact CB-CE2 4.13Å; K57-F68 HydrophobicContact CB-CG 4.42Å; K57-F68 HydrophobicContact CD-CE2 4.04Å; K57-F68 HydrophobicContact CD-CZ 3.92Å; K57-F68 HydrophobicContact CG-CD2 4Å; K57-F68 HydrophobicContact CG-CE2 3.59Å; K57-F68 HydrophobicContact CG-CZ 4Å; E59-F68 HydrophobicContact CG-CB 3.85Å; E59-F68 VanDerWaalsContact OE1-CA 3.3Å; E59-F68 WeakPolarHBondContact OE1-CA 3.31Å; E59-F68 WeakPolarHBondContact OE1-CB 3.27Å; E59-F68 PolarHBondContact OE1-N 3.15Å; F68-V70 WeakPolarHBondContact CE2-O 3.3Å
69K93.8Very high93.4Very high107 Ų10765.4 Ų65.447%0.46532%0.323SS..EExtended strand (participates in β ladder)trans-116.4-50.9-175.7-179.3174.7177.6166.40111V10 Y28 K67V10-K69 WeakPolarHBondContact O-CB 3.22Å; V10-K69 PolarHBondContact O-N 3.45Å; Y28-K69 HydrophobicContact CD1-CD 4.39Å; Y28-K69 HydrophobicContact CE1-CD 3.9Å; Y28-K69 PolarHBondContact OH-NZ 3.25Å; Y28-K69 VanDerWaalsContact OH-NZ 3.11Å; K67-K69 PolarHBondContact O-N 3.43Å
70V96.6Very high93.7Very high50 Ų5065.9 Ų65.930%0.30333%0.33SS..EExtended strand (participates in β ladder)trans-162149.9-173.163.70000111V10 F68 I72 W126V10-V70 HydrophobicContact CB-CG1 3.93Å; V10-V70 HydrophobicContact CG2-CG1 4.21Å; V10-V70 PolarHBondContact N-O 2.98Å; V10-V70 PolarHBondContact O-N 3.21Å; F68-V70 WeakPolarHBondContact CE2-O 3.3Å; V70-I72 HydrophobicContact CG1-CD1 4.12Å; V70-I72 HydrophobicContact CG1-CG1 4.06Å; V70-I72 HydrophobicContact CG2-CG1 4.05Å; V70-W126 HydrophobicContact CG1-CH2 4.01Å; V70-W126 HydrophobicContact CG1-CZ2 4.34Å
71S98.3Very high94Very high37 Ų3764.4 Ų64.426%0.25932%0.318SS..EExtended strand (participates in β ladder)trans-111129.5165.7-172.90000108.9L8 N9L8-S71 WeakPolarHBondContact O-CA 3.35Å; N9-S71 WeakPolarHBondContact OD1-CB 2.97Å; N9-S71 PolarHBondContact OD1-OG 3.36Å
72I98.3Very high94.3Very high36 Ų3668 Ų6819%0.18533%0.334CS..EExtended strand (participates in β ladder)trans-119.5118-174-53.9174.9000108.1Y7 L8 V10 V70 Q74 P124 W126Y7-I72 CarbonylContact C-O 3.28Å; Y7-I72 WeakPolarHBondContact CA-O 3.45Å; L8-I72 HydrophobicContact CB-CB 4.4Å; L8-I72 PolarHBondContact N-O 3.08Å; L8-I72 PolarHBondContact O-N 3.11Å; V10-I72 HydrophobicContact CG2-CD1 4.26Å; V70-I72 HydrophobicContact CG1-CD1 4.12Å; V70-I72 HydrophobicContact CG1-CG1 4.06Å; V70-I72 HydrophobicContact CG2-CG1 4.05Å; I72-Q74 PolarHBondContact O-N 2.76Å; I72-Q74 VanDerWaalsContact O-N 3.09Å; I72-P124 HydrophobicContact CD1-CG 3.92Å; I72-W126 HydrophobicContact CD1-CZ2 3.77Å
73L98.4Very high94.7Very high66 Ų6670.1 Ų70.135%0.34635%0.346SS..EExtended strand (participates in β ladder)trans-63.1113.6170.8-178.465.8000109.3P5 Y7 G75 Y76 K121P5-L73 HydrophobicContact CB-CD1 3.95Å; Y7-L73 HydrophobicContact CD1-CB 4.11Å; Y7-L73 HydrophobicContact CD1-CD1 4.11Å; Y7-L73 HydrophobicContact CE1-CB 3.97Å; Y7-L73 HydrophobicContact CE1-CD1 3.76Å; Y7-L73 HydrophobicContact CE1-CG 4.43Å; L73-G75 WeakPolarHBondContact CD1-O 3.5Å; L73-Y76 HydrophobicContact CD2-CE2 4.33Å; L73-K121 PolarHBondContact O-NZ 2.95Å
74Q97.9Very high95.2Very high8 Ų869.6 Ų69.64%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-78.4-51.4173.8-66.8-58.8-27.200109.3V6 L8 I72 S115 C119 K121 E122V6-Q74 HydrophobicContact CG1-CB 4.44Å; V6-Q74 PolarHBondContact O-N 2.92Å; L8-Q74 HydrophobicContact CB-CG 3.84Å; L8-Q74 VanDerWaalsContact CB-NE2 3.31Å; I72-Q74 PolarHBondContact O-N 2.76Å; I72-Q74 VanDerWaalsContact O-N 3.09Å; Q74-S115 WeakPolarHBondContact CG-OG 3.36Å; Q74-C119 VanDerWaalsContact CB-SG 3.58Å; Q74-K121 HydrophobicContact CB-CD 4.45Å; Q74-K121 WeakPolarHBondContact O-CD 3.07Å; Q74-K121 PolarHBondContact O-NZ 3Å; Q74-K121 VanDerWaalsContact O-NZ 3.11Å; Q74-E122 PolarHBondContact OE1-O 3.26Å
75G97.6Very high95.9Very high15 Ų1565 Ų6516%0.15532%0.315CS..EExtended strand (participates in β ladder)trans175.7-146.5178.500000110.7V6 L73V6-G75 PolarHBondContact N-O 3.5Å; V6-G75 PolarHBondContact O-N 3.27Å; L73-G75 WeakPolarHBondContact CD1-O 3.5Å
76Y98.2Very high96.6Very high117 Ų11764.5 Ų64.546%0.45932%0.317SS..EExtended strand (participates in β ladder)trans-128.5150.4178-58.3-91.6000109.4N3 E4 P5 L73 C119N3-Y76 VanDerWaalsContact ND2-CD1 3.34Å; N3-Y76 WeakPolarHBondContact ND2-CD1 3.12Å; N3-Y76 WeakPolarHBondContact OD1-CB 3.34Å; N3-Y76 VanDerWaalsContact OD1-CG 3.32Å; E4-Y76 CarbonylContact O-C 3.44Å; E4-Y76 WeakPolarHBondContact O-CA 3.27Å; P5-Y76 HydrophobicContact CB-CD1 4.2Å; P5-Y76 HydrophobicContact CB-CE1 4.05Å; L73-Y76 HydrophobicContact CD2-CE2 4.33Å; Y76-C119 WeakPolarHBondContact O-CB 3.24Å
77T98.1Very high97.1Very high3 Ų363.1 Ų63.12%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-120.8140.5177.2-177.30000111E4 V6 V34 F79 L118E4-T77 HydrophobicContact CB-CG2 3.99Å; E4-T77 HydrophobicContact CG-CG2 4.48Å; E4-T77 PolarHBondContact N-O 3.3Å; E4-T77 PolarHBondContact O-N 3.47Å; V6-T77 HydrophobicContact CG2-CG2 3.65Å; V34-T77 HydrophobicContact CG2-CG2 3.88Å; T77-F79 WeakPolarHBondContact OG1-CB 3.47Å; T77-F79 VanDerWaalsContact OG1-CD2 3.26Å; T77-F79 WeakPolarHBondContact OG1-CD2 3.37Å; T77-F79 PolarHBondContact OG1-N 2.9Å; T77-L118 WeakPolarHBondContact CB-O 3.01Å; T77-L118 PolarHBondContact OG1-O 3.1Å; T77-L118 VanDerWaalsContact OG1-O 3.12Å
78D96.9Very high97.4Very high110 Ų11058.1 Ų58.159%0.58829%0.292SS*.  trans-89.2-8.4168.5-78.5-62.7000112.5A2A2-D78 WeakPolarHBondContact O-CA 3.36Å
79F98Very high97.5Very high79 Ų7962.6 Ų62.635%0.34631%0.314SS..  trans-63135.5174.4-72.2-64.2000110.2Y35 T77 D83 V84 I87 I117 L118Y35-F79 WeakPolarHBondContact CE2-O 3.32Å; Y35-F79 PolarHBondContact OH-O 3.12Å; T77-F79 WeakPolarHBondContact OG1-CB 3.47Å; T77-F79 VanDerWaalsContact OG1-CD2 3.26Å; T77-F79 WeakPolarHBondContact OG1-CD2 3.37Å; T77-F79 PolarHBondContact OG1-N 2.9Å; F79-D83 HydrophobicContact CB-CB 3.9Å; F79-D83 HydrophobicContact CD1-CB 3.7Å; F79-D83 HydrophobicContact CG-CB 4.21Å; F79-V84 HydrophobicContact CB-CG2 4.16Å; F79-I87 HydrophobicContact CD1-CD1 4.02Å; F79-I87 HydrophobicContact CD2-CD1 4.1Å; F79-I87 HydrophobicContact CE1-CD1 4.03Å; F79-I87 HydrophobicContact CE2-CD1 4.14Å; F79-I87 HydrophobicContact CG-CD1 4.05Å; F79-I87 HydrophobicContact CZ-CD1 4.1Å; F79-I117 WeakPolarHBondContact CE2-O 3.34Å; F79-L118 HydrophobicContact CD2-CD2 3.99Å
80T97.2Very high97.7Very high66 Ų6664.3 Ų64.341%0.40532%0.324SS..  trans-72.3165172.969.80000110.8Q82 D83 V84T80-Q82 PolarHBondContact O-N 3.32Å; T80-Q82 VanDerWaalsContact O-N 3.15Å; T80-Q82 PolarHBondContact OG1-N 3.33Å; T80-D83 WeakPolarHBondContact CB-OD2 3.43Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.42Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 WeakPolarHBondContact O-CB 3.28Å; T80-D83 PolarHBondContact O-N 3.3Å; T80-D83 PolarHBondContact OG1-N 3.33Å; T80-D83 PolarHBondContact OG1-OD2 3.03Å; T80-V84 WeakPolarHBondContact O-CG2 3.32Å; T80-V84 PolarHBondContact O-N 3.3Å
81R97.1Very high97.8Very high121 Ų12162.7 Ų62.746%0.45731%0.313SS..Hα-helixtrans-51.3-38.9172.6-175.5-172.9-70.5-83.63.4112.1Y35 V84 L85Y35-R81 HydrophobicContact CD2-CB 3.93Å; Y35-R81 HydrophobicContact CD2-CG 4.43Å; Y35-R81 HydrophobicContact CE2-CB 4.16Å; Y35-R81 HydrophobicContact CG-CB 4.15Å; Y35-R81 HydrophobicContact CG-CG 4.47Å; Y35-R81 VanDerWaalsContact O-CZ 3.28Å; Y35-R81 PolarHBondContact O-NH1 3.17Å; Y35-R81 PolarHBondContact O-NH2 3.13Å; R81-V84 PolarHBondContact O-N 3.35Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.47Å; R81-L85 VanDerWaalsContact O-N 3.08Å
82Q97.2Very high97.6Very high125 Ų12561.2 Ų61.258%0.58430%0.304SS*.Hα-helixtrans-70.5-35.5-179.9-168.861.235.800112.4T80 S86T80-Q82 PolarHBondContact O-N 3.32Å; T80-Q82 VanDerWaalsContact O-N 3.15Å; T80-Q82 PolarHBondContact OG1-N 3.33Å; Q82-S86 PolarHBondContact O-N 2.96Å; Q82-S86 VanDerWaalsContact O-N 3.08Å; Q82-S86 PolarHBondContact O-OG 3.06Å
83D98Very high97.4Very high65 Ų6565.2 Ų65.235%0.34833%0.325SS..Hα-helixtrans-66.4-44.6174.9-58.9-45.9000110.5F79 T80 L85 S86 I87F79-D83 HydrophobicContact CB-CB 3.9Å; F79-D83 HydrophobicContact CD1-CB 3.7Å; F79-D83 HydrophobicContact CG-CB 4.21Å; T80-D83 WeakPolarHBondContact CB-OD2 3.43Å; T80-D83 WeakPolarHBondContact CG2-OD2 3.42Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 WeakPolarHBondContact O-CB 3.28Å; T80-D83 PolarHBondContact O-N 3.3Å; T80-D83 PolarHBondContact OG1-N 3.33Å; T80-D83 PolarHBondContact OG1-OD2 3.03Å; D83-L85 PolarHBondContact O-N 3.25Å; D83-S86 WeakPolarHBondContact O-CB 3.41Å; D83-S86 PolarHBondContact O-N 3.08Å; D83-S86 VanDerWaalsContact O-N 3.13Å; D83-I87 VanDerWaalsContact O-CG1 3.28Å; D83-I87 WeakPolarHBondContact O-CG1 3.4Å; D83-I87 PolarHBondContact O-N 3.14Å
84V98.1Very high97.2Very high1 Ų167.2 Ų67.21%0.00633%0.333CS..Hα-helixtrans-56.9-48.3175.9174.50000111.1V34 Y35 Y39 F79 T80 R81 S86 I87 V88 L118V34-V84 HydrophobicContact CG1-CG1 3.64Å; V34-V84 HydrophobicContact CG1-CG2 4.31Å; V34-V84 HydrophobicContact CG2-CG2 4.47Å; Y35-V84 HydrophobicContact CD2-CG2 4.22Å; Y35-V84 HydrophobicContact CE2-CG2 4.19Å; Y39-V84 HydrophobicContact CE2-CG1 3.74Å; F79-V84 HydrophobicContact CB-CG2 4.16Å; T80-V84 WeakPolarHBondContact O-CG2 3.32Å; T80-V84 PolarHBondContact O-N 3.3Å; R81-V84 PolarHBondContact O-N 3.35Å; V84-S86 VanDerWaalsContact C-N 3.28Å; V84-S86 PolarHBondContact O-N 3.19Å; V84-I87 PolarHBondContact O-N 2.88Å; V84-V88 HydrophobicContact CG1-CG2 4.37Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 2.74Å; V84-L118 HydrophobicContact CG2-CD2 3.99Å
85L97.5Very high97.1Very high61 Ų6167.5 Ų67.532%0.31933%0.334SS..Hα-helixtrans-58-42.9176.9-73.4170.2000111.7Y39 R81 D83 V88 Q89Y39-L85 WeakPolarHBondContact OH-CD2 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.47Å; R81-L85 VanDerWaalsContact O-N 3.08Å; D83-L85 PolarHBondContact O-N 3.25Å; L85-V88 PolarHBondContact O-N 3.46Å; L85-Q89 VanDerWaalsContact O-CB 3.32Å; L85-Q89 WeakPolarHBondContact O-CB 3.35Å; L85-Q89 PolarHBondContact O-N 2.77Å
86S98.1Very high96.8Very high56 Ų5669.2 Ų69.239%0.39234%0.338SS..Hα-helixtrans-67-39.9-179.8-53.20000111.8Q82 D83 V84 Q90Q82-S86 PolarHBondContact O-N 2.96Å; Q82-S86 VanDerWaalsContact O-N 3.08Å; Q82-S86 PolarHBondContact O-OG 3.06Å; D83-S86 WeakPolarHBondContact O-CB 3.41Å; D83-S86 PolarHBondContact O-N 3.08Å; D83-S86 VanDerWaalsContact O-N 3.13Å; V84-S86 VanDerWaalsContact C-N 3.28Å; V84-S86 PolarHBondContact O-N 3.19Å; S86-Q90 WeakPolarHBondContact O-CB 3.34Å; S86-Q90 PolarHBondContact O-N 3.27Å
87I98.5Very high96.4Very high23 Ų2363.7 Ų63.712%0.11832%0.316CS..Hα-helixtrans-62.2-51174.9-71.1162.1000110.2F79 D83 V84 Q89 Q90 M91 L114 I117 L118F79-I87 HydrophobicContact CD1-CD1 4.02Å; F79-I87 HydrophobicContact CD2-CD1 4.1Å; F79-I87 HydrophobicContact CE1-CD1 4.03Å; F79-I87 HydrophobicContact CE2-CD1 4.14Å; F79-I87 HydrophobicContact CG-CD1 4.05Å; F79-I87 HydrophobicContact CZ-CD1 4.1Å; D83-I87 VanDerWaalsContact O-CG1 3.28Å; D83-I87 WeakPolarHBondContact O-CG1 3.4Å; D83-I87 PolarHBondContact O-N 3.14Å; V84-I87 PolarHBondContact O-N 2.88Å; I87-Q89 VanDerWaalsContact C-N 3.33Å; I87-Q89 PolarHBondContact O-N 3.42Å; I87-Q90 WeakPolarHBondContact O-CB 3.39Å; I87-Q90 PolarHBondContact O-N 3.34Å; I87-Q90 VanDerWaalsContact O-N 3.15Å; I87-M91 HydrophobicContact CG2-CG 4.49Å; I87-M91 HydrophobicContact CG2-SD 4.14Å; I87-M91 WeakPolarHBondContact O-CG 3.1Å; I87-M91 PolarHBondContact O-N 3.45Å; I87-L114 HydrophobicContact CG2-CD1 4.09Å; I87-I117 HydrophobicContact CD1-CG2 4.06Å; I87-I117 HydrophobicContact CG1-CG2 4.49Å; I87-I117 HydrophobicContact CG2-CD1 4.44Å; I87-I117 HydrophobicContact CG2-CG2 3.82Å; I87-L118 HydrophobicContact CD1-CD2 4.12Å
88V98.1Very high96Very high13 Ų1364.2 Ų64.28%0.07932%0.319CS..Hα-helixtrans-60.8-44-179.9169.80000110.9Y39 I51 V84 L85 Q90 M91 G92 L114Y39-V88 HydrophobicContact CD1-CB 4.28Å; Y39-V88 HydrophobicContact CD1-CG1 3.72Å; Y39-V88 HydrophobicContact CD1-CG2 3.81Å; Y39-V88 HydrophobicContact CD2-CG2 4.28Å; Y39-V88 HydrophobicContact CE1-CB 4.25Å; Y39-V88 HydrophobicContact CE1-CG1 3.97Å; Y39-V88 HydrophobicContact CE1-CG2 3.93Å; Y39-V88 HydrophobicContact CE2-CG2 4.4Å; Y39-V88 HydrophobicContact CG-CG2 3.98Å; I51-V88 HydrophobicContact CD1-CG1 4.37Å; I51-V88 HydrophobicContact CG2-CG1 3.72Å; V84-V88 HydrophobicContact CG1-CG2 4.37Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 2.74Å; L85-V88 PolarHBondContact O-N 3.46Å; V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 PolarHBondContact O-N 2.89Å; V88-M91 PolarHBondContact O-N 3.27Å; V88-G92 PolarHBondContact O-N 2.93Å; V88-L114 HydrophobicContact CG2-CD1 4.23Å; V88-L114 HydrophobicContact CG2-CD2 4.29Å
89Q96.6Very high95.6Very high155 Ų15565.2 Ų65.272%0.72431%0.314SS*.Hα-helixtrans-60.7-41.5176-172.31771000111.7L85 I87 G92L85-Q89 VanDerWaalsContact O-CB 3.32Å; L85-Q89 WeakPolarHBondContact O-CB 3.35Å; L85-Q89 PolarHBondContact O-N 2.77Å; I87-Q89 VanDerWaalsContact C-N 3.33Å; I87-Q89 PolarHBondContact O-N 3.42Å; Q89-G92 PolarHBondContact O-N 2.91Å
90Q97.5Very high95.2Very high143 Ų14362.6 Ų62.667%0.66830%0.302SS*.Hα-helixtrans-65.3-41.7176.4-173.4175.153.900112S86 I87 V88 G92 N93S86-Q90 WeakPolarHBondContact O-CB 3.34Å; S86-Q90 PolarHBondContact O-N 3.27Å; I87-Q90 WeakPolarHBondContact O-CB 3.39Å; I87-Q90 PolarHBondContact O-N 3.34Å; I87-Q90 VanDerWaalsContact O-N 3.15Å; V88-Q90 VanDerWaalsContact C-N 3.31Å; V88-Q90 PolarHBondContact O-N 2.89Å; Q90-G92 PolarHBondContact O-N 2.98Å; Q90-N93 WeakPolarHBondContact O-CB 3.3Å; Q90-N93 PolarHBondContact O-N 2.94Å; Q90-N93 PolarHBondContact O-ND2 3.01Å
91M97.9Very high94.5Very high17 Ų1760.6 Ų60.68%0.08429%0.289CS..Hα-helixtrans-62.5-28.3174.9-70-177.775.900112.3I51 I87 V88 N93 E94 Y95 F110 A113 L114 I117I51-M91 HydrophobicContact CD1-CB 3.84Å; I87-M91 HydrophobicContact CG2-CG 4.49Å; I87-M91 HydrophobicContact CG2-SD 4.14Å; I87-M91 WeakPolarHBondContact O-CG 3.1Å; I87-M91 PolarHBondContact O-N 3.45Å; V88-M91 PolarHBondContact O-N 3.27Å; M91-N93 PolarHBondContact O-N 3.3Å; M91-N93 VanDerWaalsContact O-N 3.14Å; M91-E94 PolarHBondContact O-N 2.92Å; M91-Y95 HydrophobicContact CB-CD2 4.26Å; M91-Y95 HydrophobicContact CE-CD2 4.17Å; M91-Y95 HydrophobicContact CE-CE2 3.66Å; M91-Y95 WeakPolarHBondContact O-CD2 3.49Å; M91-Y95 PolarHBondContact O-N 2.84Å; M91-F110 HydrophobicContact CE-CD2 3.78Å; M91-F110 HydrophobicContact CE-CE2 3.79Å; M91-F110 HydrophobicContact SD-CE2 4.22Å; M91-A113 HydrophobicContact CE-CB 3.79Å; M91-L114 HydrophobicContact CE-CB 4.08Å; M91-L114 HydrophobicContact SD-CB 4.13Å; M91-L114 HydrophobicContact SD-CD1 3.81Å; M91-I117 HydrophobicContact CE-CD1 4.31Å; M91-I117 HydrophobicContact CG-CD1 4.45Å; M91-I117 HydrophobicContact SD-CD1 3.82Å
92G94.8Very high93.9Very high6 Ų655.4 Ų55.46%0.06227%0.27CS..THydrogen-bonded Turntrans-58.2-25.5177.100000114.4S49 V88 Q89 Q90 E94S49-G92 WeakPolarHBondContact OG-CA 3.27Å; V88-G92 PolarHBondContact O-N 2.93Å; Q89-G92 PolarHBondContact O-N 2.91Å; Q90-G92 PolarHBondContact O-N 2.98Å; G92-E94 VanDerWaalsContact C-N 3.28Å; G92-E94 PolarHBondContact O-N 2.77Å
93N93.7Very high93.1Very high119 Ų11949.6 Ų49.664%0.63624%0.242SC*.THydrogen-bonded Turntrans-66.1-32.7173.6-61.7-55.1000112.3Q90 M91Q90-N93 WeakPolarHBondContact O-CB 3.3Å; Q90-N93 PolarHBondContact O-N 2.94Å; Q90-N93 PolarHBondContact O-ND2 3.01Å; M91-N93 PolarHBondContact O-N 3.3Å; M91-N93 VanDerWaalsContact O-N 3.14Å
94E93.8Very high92.4Very high108 Ų10851.2 Ų51.251%0.50525%0.251SS..THydrogen-bonded Turntrans-92.4-38.2-178.3174.5170.9-177.200112.2M91 G92 Q96 K105M91-E94 PolarHBondContact O-N 2.92Å; G92-E94 VanDerWaalsContact C-N 3.28Å; G92-E94 PolarHBondContact O-N 2.77Å; E94-Q96 PolarHBondContact O-N 3.24Å; E94-K105 WeakPolarHBondContact O-CE 3.48Å; E94-K105 PolarHBondContact O-NZ 2.94Å; E94-K105 IonicContact OE1-NZ 2.84Å; E94-K105 PolarHBondContact OE1-NZ 3.24Å
95Y95.2Very high92Very high15 Ų1552.9 Ų52.96%0.05926%0.259CS..SBendtrans-97.260.3-176.8-70.8-90.3000111F41 G50 M91 K105 H109 F110 A113F41-Y95 AromaticContact CD1-CD1 3.85Å; F41-Y95 HydrophobicContact CD1-CD1 3.85Å; F41-Y95 HydrophobicContact CD2-CD1 4.43Å; F41-Y95 AromaticContact CE1-CD1 3.81Å; F41-Y95 HydrophobicContact CE1-CD1 3.81Å; F41-Y95 HydrophobicContact CE2-CD1 4.42Å; F41-Y95 WeakPolarHBondContact CE2-O 3.35Å; F41-Y95 HydrophobicContact CG-CD1 4.19Å; F41-Y95 HydrophobicContact CZ-CD1 4.12Å; G50-Y95 PolarHBondContact N-O 3.1Å; M91-Y95 HydrophobicContact CB-CD2 4.26Å; M91-Y95 HydrophobicContact CE-CD2 4.17Å; M91-Y95 HydrophobicContact CE-CE2 3.66Å; M91-Y95 WeakPolarHBondContact O-CD2 3.49Å; M91-Y95 PolarHBondContact O-N 2.84Å; Y95-K105 HydrophobicContact CE1-CG 4.45Å; Y95-H109 PolarHBondContact OH-O 2.91Å; Y95-F110 HydrophobicContact CD1-CB 3.66Å; Y95-F110 HydrophobicContact CD1-CD2 4.04Å; Y95-F110 HydrophobicContact CD1-CG 4.28Å; Y95-F110 HydrophobicContact CD2-CD2 4.06Å; Y95-F110 HydrophobicContact CE1-CB 3.48Å; Y95-F110 VanDerWaalsContact CE1-CB 3.48Å; Y95-F110 HydrophobicContact CE1-CD2 4.21Å; Y95-F110 HydrophobicContact CE1-CG 4.35Å; Y95-F110 HydrophobicContact CE2-CD2 4.24Å; Y95-F110 HydrophobicContact CG-CB 4.42Å; Y95-F110 AromaticContact CG-CD2 3.94Å; Y95-F110 HydrophobicContact CG-CD2 3.94Å; Y95-A113 VanDerWaalsContact OH-CB 3.27Å; Y95-A113 WeakPolarHBondContact OH-CB 3.21Å
96Q93.4Very high91.7Very high51 Ų5150.2 Ų50.224%0.23824%0.244CC..BIsolated β-bridgetrans-73.1140.6173.5-61.6-176.3-43.900111.2L48 E94 N98 R99 Y100L48-Q96 VanDerWaalsContact O-CA 3.31Å; L48-Q96 WeakPolarHBondContact O-CA 3.18Å; E94-Q96 PolarHBondContact O-N 3.24Å; Q96-N98 VanDerWaalsContact C-N 3.28Å; Q96-N98 WeakPolarHBondContact CB-OD1 3.16Å; Q96-N98 PolarHBondContact O-N 2.92Å; Q96-R99 HydrophobicContact CB-CB 4.34Å; Q96-R99 HydrophobicContact CB-CG 4.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.28Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-R99 VanDerWaalsContact OE1-CD 3.27Å; Q96-Y100 PolarHBondContact O-N 3.43Å
97G89.3Confident91.5Very high0 Ų047.6 Ų47.60%023%0.226CC..G310 helixtrans-66-31.7-175.900000113.3G42 H44 L48 G50 R99 Y100G42-G97 WeakPolarHBondContact O-CA 3.47Å; H44-G97 PolarHBondContact N-O 2.74Å; H44-G97 CarbonylContact O-C 3.54Å; L48-G97 PolarHBondContact O-N 2.82Å; G50-G97 VanDerWaalsContact N-N 3.17Å; G97-R99 PolarHBondContact O-N 3.16Å; G97-Y100 VanDerWaalsContact O-CB 3.26Å; G97-Y100 WeakPolarHBondContact O-CB 3.12Å; G97-Y100 PolarHBondContact O-N 2.98Å
98N88.7Confident91.4Very high15 Ų1546.7 Ų46.78%0.0822%0.221CC..G310 helixtrans-70.1-18.2174.968.8-15.9000112.9H44 Q96 P151 A152H44-N98 WeakPolarHBondContact O-CA 3.22Å; H44-N98 PolarHBondContact O-N 2.91Å; Q96-N98 VanDerWaalsContact C-N 3.28Å; Q96-N98 WeakPolarHBondContact CB-OD1 3.16Å; Q96-N98 PolarHBondContact O-N 2.92Å; N98-P151 CarbonylContact O-C 3.55Å; N98-P151 VanDerWaalsContact O-CB 3.26Å; N98-P151 WeakPolarHBondContact O-CB 3.26Å; N98-A152 WeakPolarHBondContact CB-O 3.18Å; N98-A152 PolarHBondContact O-N 2.64Å
99R88.7Confident91.3Very high130 Ų13048.6 Ų48.649%0.49123%0.229SC..G310 helixtrans-94.52.5175.3-6218071.5165.53113.2Q96 G97 H101Q96-R99 HydrophobicContact CB-CB 4.34Å; Q96-R99 HydrophobicContact CB-CG 4.12Å; Q96-R99 WeakPolarHBondContact O-CB 3.28Å; Q96-R99 PolarHBondContact O-N 2.96Å; Q96-R99 VanDerWaalsContact OE1-CD 3.27Å; G97-R99 PolarHBondContact O-N 3.16Å; R99-H101 PolarHBondContact O-N 2.98Å
100Y88.9Confident91.4Very high24 Ų2441.2 Ų41.29%0.09420%0.195CC..  trans-63130.1177.1-171.2-77.1000110.9F41 R43 Q96 G97 N106 C107F41-Y100 AromaticContact CD1-CD2 3.69Å; F41-Y100 HydrophobicContact CD1-CD2 3.69Å; F41-Y100 AromaticContact CD1-CE2 3.84Å; F41-Y100 HydrophobicContact CD1-CE2 3.84Å; F41-Y100 AromaticContact CE1-CD2 3.28Å; F41-Y100 HydrophobicContact CE1-CD2 3.28Å; F41-Y100 AromaticContact CE1-CE2 3.83Å; F41-Y100 HydrophobicContact CE1-CE2 3.83Å; F41-Y100 HydrophobicContact CE1-CG 4.16Å; F41-Y100 HydrophobicContact CE2-CD2 4.16Å; F41-Y100 HydrophobicContact CG-CD2 4.3Å; F41-Y100 AromaticContact CZ-CD2 3.55Å; F41-Y100 HydrophobicContact CZ-CD2 3.55Å; F41-Y100 HydrophobicContact CZ-CE2 4.49Å; F41-Y100 HydrophobicContact CZ-CG 4.18Å; R43-Y100 HydrophobicContact CB-CD1 3.84Å; R43-Y100 HydrophobicContact CB-CD2 4.42Å; R43-Y100 HydrophobicContact CB-CG 3.75Å; R43-Y100 HydrophobicContact CG-CD1 4.47Å; R43-Y100 HydrophobicContact CG-CG 4.48Å; Q96-Y100 PolarHBondContact O-N 3.43Å; G97-Y100 VanDerWaalsContact O-CB 3.26Å; G97-Y100 WeakPolarHBondContact O-CB 3.12Å; G97-Y100 PolarHBondContact O-N 2.98Å; Y100-N106 HydrophobicContact CE1-CB 4.25Å; Y100-N106 HydrophobicContact CE2-CB 4.28Å; Y100-C107 HydrophobicContact CE2-CB 4.46Å; Y100-C107 PolarHBondContact OH-N 3.24Å; Y100-C107 PolarHBondContact OH-SG 3.23Å
101H84.5Confident91.4Very high25 Ų2534.4 Ų34.412%0.11616%0.163CC..BIsolated β-bridgetrans-137.7122.9179.8-177.1-47.5000109.6R99 M103 N104 K105 N106 I149R99-H101 PolarHBondContact O-N 2.98Å; H101-M103 VanDerWaalsContact C-N 3.29Å; H101-M103 PolarHBondContact ND1-N 3.2Å; H101-M103 VanDerWaalsContact ND1-N 3.19Å; H101-M103 PolarHBondContact O-N 3.35Å; H101-M103 VanDerWaalsContact O-N 3.1Å; H101-N104 HydrophobicContact CB-CB 4.46Å; H101-N104 PolarHBondContact CE1-ND2 3.31Å; H101-N104 PolarHBondContact ND1-N 3.28Å; H101-N104 PolarHBondContact NE2-ND2 3.33Å; H101-N104 PolarHBondContact O-N 2.89Å; H101-K105 HydrophobicContact CB-CB 4.45Å; H101-K105 PolarHBondContact N-O 3.27Å; H101-K105 CarbonylContact O-C 3.1Å; H101-K105 PolarHBondContact O-N 2.8Å; H101-K105 VanDerWaalsContact O-O 3.08Å; H101-N106 PolarHBondContact O-N 3.14Å; H101-I149 PolarHBondContact CD2-O 3.3Å; H101-I149 PolarHBondContact CE1-O 3.33Å; H101-I149 VanDerWaalsContact CG-O 3.3Å; H101-I149 PolarHBondContact NE2-O 2.99Å
102L83Confident91.4Very high12 Ų1235.3 Ų35.36%0.06317%0.168CC..THydrogen-bonded Turntrans-54-38.8-170.8-177.162.4000114.4I27 N106 L130 F144 W148I27-L102 HydrophobicContact CD1-CD2 4.35Å; I27-L102 HydrophobicContact CG2-CD1 4.5Å; L102-N106 WeakPolarHBondContact O-CB 3.3Å; L102-N106 PolarHBondContact O-ND2 2.99Å; L102-L130 HydrophobicContact CD1-CD2 4.34Å; L102-L130 HydrophobicContact CD2-CD2 4.25Å; L102-L130 HydrophobicContact CG-CD2 3.97Å; L102-F144 HydrophobicContact CD2-CD1 4.27Å; L102-F144 HydrophobicContact CD2-CE1 4.46Å; L102-W148 HydrophobicContact CB-CB 4.45Å; L102-W148 VanDerWaalsContact CB-O 3.23Å; L102-W148 WeakPolarHBondContact CB-O 3.5Å; L102-W148 HydrophobicContact CD2-CB 4.05Å; L102-W148 HydrophobicContact CD2-CE3 4.02Å; L102-W148 PolarHBondContact N-O 3.31Å
103M81.3Confident91.6Very high2 Ų236.3 Ų36.31%0.0118%0.176CC..THydrogen-bonded Turntrans-97.5-34.2-179-65.6169.9-59.900115.1H101 H109 A131 S134 E141 I149H101-M103 VanDerWaalsContact C-N 3.29Å; H101-M103 PolarHBondContact ND1-N 3.2Å; H101-M103 VanDerWaalsContact ND1-N 3.19Å; H101-M103 PolarHBondContact O-N 3.35Å; H101-M103 VanDerWaalsContact O-N 3.1Å; M103-H109 PolarHBondContact O-CE1 3.33Å; M103-H109 VanDerWaalsContact O-CE1 3.28Å; M103-A131 WeakPolarHBondContact O-CB 3.46Å; M103-S134 WeakPolarHBondContact CB-OG 3.29Å; M103-S134 WeakPolarHBondContact SD-CB 3.4Å; M103-E141 HydrophobicContact CE-CB 3.82Å; M103-E141 HydrophobicContact CE-CG 3.38Å; M103-E141 VanDerWaalsContact CE-OE1 3.3Å; M103-E141 WeakPolarHBondContact CE-OE1 3.49Å; M103-E141 HydrophobicContact SD-CB 4.45Å; M103-E141 HydrophobicContact SD-CG 3.82Å; M103-I149 HydrophobicContact CE-CB 4.12Å; M103-I149 HydrophobicContact CE-CD1 3.8Å; M103-I149 HydrophobicContact CE-CG1 3.61Å; M103-I149 HydrophobicContact CE-CG2 3.47Å; M103-I149 VanDerWaalsContact CE-CG2 3.47Å
104N82.3Confident91.8Very high100 Ų10030.7 Ų30.754%0.53515%0.146SC..THydrogen-bonded Turntrans-104-27.7-169.4-66.8-40.2000114.4H101H101-N104 HydrophobicContact CB-CB 4.46Å; H101-N104 PolarHBondContact CE1-ND2 3.31Å; H101-N104 PolarHBondContact ND1-N 3.28Å; H101-N104 PolarHBondContact NE2-ND2 3.33Å; H101-N104 PolarHBondContact O-N 2.89Å
105K89.4Confident92Very high36 Ų3625.5 Ų25.516%0.15712%0.122CC..BIsolated β-bridgetrans-153.478.6-178.3-165167.9-163.9166.40109.7E94 Y95 H101E94-K105 WeakPolarHBondContact O-CE 3.48Å; E94-K105 PolarHBondContact O-NZ 2.94Å; E94-K105 IonicContact OE1-NZ 2.84Å; E94-K105 PolarHBondContact OE1-NZ 3.24Å; Y95-K105 HydrophobicContact CE1-CG 4.45Å; H101-K105 HydrophobicContact CB-CB 4.45Å; H101-K105 PolarHBondContact N-O 3.27Å; H101-K105 CarbonylContact O-C 3.1Å; H101-K105 PolarHBondContact O-N 2.8Å; H101-K105 VanDerWaalsContact O-O 3.08Å
106N91.6Very high92.2Very high4 Ų428.5 Ų28.52%0.02114%0.135CC..  trans-114-178.5-174.96923000111.3F41 Y100 H101 L102 N108 H109 F110 N128F41-N106 WeakPolarHBondContact CD1-O 3.5Å; Y100-N106 HydrophobicContact CE1-CB 4.25Å; Y100-N106 HydrophobicContact CE2-CB 4.28Å; H101-N106 PolarHBondContact O-N 3.14Å; L102-N106 WeakPolarHBondContact O-CB 3.3Å; L102-N106 PolarHBondContact O-ND2 2.99Å; N106-N108 PolarHBondContact O-N 3.41Å; N106-N108 WeakPolarHBondContact OD1-CA 3.45Å; N106-N108 WeakPolarHBondContact OD1-CB 3.47Å; N106-N108 PolarHBondContact OD1-N 3.2Å; N106-H109 PolarHBondContact N-ND1 3.31Å; N106-H109 PolarHBondContact O-N 3.2Å; N106-H109 VanDerWaalsContact O-N 3.14Å; N106-H109 PolarHBondContact OD1-N 3.43Å; N106-H109 VanDerWaalsContact OD1-N 3.08Å; N106-H109 PolarHBondContact OD1-ND1 2.93Å; N106-F110 PolarHBondContact O-N 3.48Å; N106-N128 PolarHBondContact ND2-OD1 3.26Å; N106-N128 VanDerWaalsContact ND2-OD1 3.17Å
107C94.9Very high92.4Very high1 Ų129.9 Ų29.91%0.00714%0.143CC..Hα-helixtrans-49.8-40.5175.246.50000113.9H29 F41 Y100 H109 F110 T111H29-C107 VanDerWaalsContact ND1-CB 3.28Å; H29-C107 WeakPolarHBondContact ND1-CB 3.42Å; H29-C107 PolarHBondContact ND1-SG 3Å; F41-C107 WeakPolarHBondContact O-CB 3.49Å; Y100-C107 HydrophobicContact CE2-CB 4.46Å; Y100-C107 PolarHBondContact OH-N 3.24Å; Y100-C107 PolarHBondContact OH-SG 3.23Å; C107-H109 PolarHBondContact O-N 3.29Å; C107-F110 WeakPolarHBondContact O-CB 3.17Å; C107-F110 PolarHBondContact O-N 3.3Å; C107-T111 PolarHBondContact O-N 2.99Å; C107-T111 PolarHBondContact O-OG1 2.77Å
108N95.7Very high92.8Very high4 Ų430.2 Ų30.22%0.02115%0.145CC..Hα-helixtrans-74.1-27.5-177-54.7-42.3000113Y28 S30 N106 F110 T111 D112 I123 V127 N128Y28-N108 PolarHBondContact O-ND2 2.86Å; Y28-N108 PolarHBondContact O-OD1 3.22Å; S30-N108 PolarHBondContact N-OD1 3.36Å; S30-N108 PolarHBondContact OG-OD1 3.4Å; N106-N108 PolarHBondContact O-N 3.41Å; N106-N108 WeakPolarHBondContact OD1-CA 3.45Å; N106-N108 WeakPolarHBondContact OD1-CB 3.47Å; N106-N108 PolarHBondContact OD1-N 3.2Å; N108-F110 VanDerWaalsContact C-N 3.31Å; N108-T111 WeakPolarHBondContact CA-OG1 3.37Å; N108-T111 PolarHBondContact O-OG1 2.85Å; N108-D112 VanDerWaalsContact O-CB 3.24Å; N108-D112 WeakPolarHBondContact O-CB 3.37Å; N108-D112 PolarHBondContact O-N 2.79Å; N108-I123 HydrophobicContact CB-CD1 4.06Å; N108-I123 VanDerWaalsContact O-CD1 3.27Å; N108-I123 WeakPolarHBondContact O-CD1 3.45Å; N108-V127 PolarHBondContact ND2-O 3.45Å; N108-N128 HydrophobicContact CB-CB 3.76Å
109H96Very high93.2Very high53 Ų5330.9 Ų30.925%0.24515%0.151CC..Hα-helixtrans-70.4-33.2170.7-63.188.8000111.4Y95 M103 N106 C107 A113 N128Y95-H109 PolarHBondContact OH-O 2.91Å; M103-H109 PolarHBondContact O-CE1 3.33Å; M103-H109 VanDerWaalsContact O-CE1 3.28Å; N106-H109 PolarHBondContact N-ND1 3.31Å; N106-H109 PolarHBondContact O-N 3.2Å; N106-H109 VanDerWaalsContact O-N 3.14Å; N106-H109 PolarHBondContact OD1-N 3.43Å; N106-H109 VanDerWaalsContact OD1-N 3.08Å; N106-H109 PolarHBondContact OD1-ND1 2.93Å; C107-H109 PolarHBondContact O-N 3.29Å; H109-A113 WeakPolarHBondContact O-CB 3.42Å; H109-A113 PolarHBondContact O-N 3.2Å; H109-N128 PolarHBondContact CE1-ND2 3.16Å; H109-N128 VanDerWaalsContact CE1-ND2 3.33Å; H109-N128 PolarHBondContact NE2-ND2 3.03Å
110F98Very high93.6Very high0 Ų027.9 Ų27.90%016%0.16CC..Hα-helixtrans-67.4-51.8174.2165.6-107.6000111.2F41 I51 M91 Y95 N106 C107 N108 D112 A113 L114F41-F110 HydrophobicContact CB-CB 3.59Å; F41-F110 HydrophobicContact CB-CD1 3.47Å; F41-F110 VanDerWaalsContact CB-CD1 3.47Å; F41-F110 HydrophobicContact CB-CD2 4.33Å; F41-F110 HydrophobicContact CB-CE1 4.23Å; F41-F110 HydrophobicContact CB-CG 3.51Å; F41-F110 HydrophobicContact CD1-CB 3.86Å; F41-F110 HydrophobicContact CG-CB 3.98Å; F41-F110 HydrophobicContact CG-CG 4.26Å; I51-F110 HydrophobicContact CB-CZ 4.48Å; I51-F110 HydrophobicContact CD1-CD2 4.1Å; I51-F110 HydrophobicContact CD1-CE2 3.44Å; I51-F110 VanDerWaalsContact CD1-CE2 3.44Å; I51-F110 HydrophobicContact CD1-CZ 4.03Å; I51-F110 HydrophobicContact CG1-CD2 4.14Å; I51-F110 HydrophobicContact CG1-CE2 3.7Å; I51-F110 HydrophobicContact CG1-CZ 4Å; I51-F110 HydrophobicContact CG2-CE1 4.27Å; I51-F110 HydrophobicContact CG2-CE2 4.22Å; I51-F110 HydrophobicContact CG2-CZ 3.67Å; M91-F110 HydrophobicContact CE-CD2 3.78Å; M91-F110 HydrophobicContact CE-CE2 3.79Å; M91-F110 HydrophobicContact SD-CE2 4.22Å; Y95-F110 HydrophobicContact CD1-CB 3.66Å; Y95-F110 HydrophobicContact CD1-CD2 4.04Å; Y95-F110 HydrophobicContact CD1-CG 4.28Å; Y95-F110 HydrophobicContact CD2-CD2 4.06Å; Y95-F110 HydrophobicContact CE1-CB 3.48Å; Y95-F110 VanDerWaalsContact CE1-CB 3.48Å; Y95-F110 HydrophobicContact CE1-CD2 4.21Å; Y95-F110 HydrophobicContact CE1-CG 4.35Å; Y95-F110 HydrophobicContact CE2-CD2 4.24Å; Y95-F110 HydrophobicContact CG-CB 4.42Å; Y95-F110 AromaticContact CG-CD2 3.94Å; Y95-F110 HydrophobicContact CG-CD2 3.94Å; N106-F110 PolarHBondContact O-N 3.48Å; C107-F110 WeakPolarHBondContact O-CB 3.17Å; C107-F110 PolarHBondContact O-N 3.3Å; N108-F110 VanDerWaalsContact C-N 3.31Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 2.86Å; F110-A113 PolarHBondContact O-N 3.28Å; F110-L114 HydrophobicContact CE1-CD2 4.09Å; F110-L114 HydrophobicContact CE2-CB 4.43Å; F110-L114 HydrophobicContact CE2-CD2 4.24Å; F110-L114 HydrophobicContact CZ-CB 4.47Å; F110-L114 HydrophobicContact CZ-CD2 3.6Å; F110-L114 WeakPolarHBondContact O-CB 3.5Å; F110-L114 PolarHBondContact O-N 2.85Å
111T98.3Very high94Very high0 Ų031.1 Ų31.10%018%0.175CC..Hα-helixtrans-66.1-32.1-178.856.30000112.6L8 S30 V32 C107 N108 S115L8-T111 HydrophobicContact CD1-CG2 4.18Å; S30-T111 WeakPolarHBondContact O-CG2 3.39Å; S30-T111 PolarHBondContact OG-OG1 3.33Å; V32-T111 HydrophobicContact CG2-CG2 3.91Å; C107-T111 PolarHBondContact O-N 2.99Å; C107-T111 PolarHBondContact O-OG1 2.77Å; N108-T111 WeakPolarHBondContact CA-OG1 3.37Å; N108-T111 PolarHBondContact O-OG1 2.85Å; T111-S115 WeakPolarHBondContact O-CB 3.4Å; T111-S115 PolarHBondContact O-N 2.83Å
112D98.1Very high94.6Very high37 Ų3735.9 Ų35.920%0.19820%0.197CC..Hα-helixtrans-61.8-48.6171.1-169.751000112.3N108 F110 K116 E122 I123N108-D112 VanDerWaalsContact O-CB 3.24Å; N108-D112 WeakPolarHBondContact O-CB 3.37Å; N108-D112 PolarHBondContact O-N 2.79Å; F110-D112 VanDerWaalsContact C-N 3.29Å; F110-D112 PolarHBondContact O-N 2.86Å; D112-K116 WeakPolarHBondContact O-CG 3.28Å; D112-K116 PolarHBondContact O-N 3.4Å; D112-K116 WeakPolarHBondContact OD1-CE 3.37Å; D112-K116 IonicContact OD1-NZ 2.75Å; D112-K116 WeakPolarHBondContact OD2-CE 3.45Å; D112-K116 IonicContact OD2-NZ 2.69Å; D112-K116 PolarHBondContact OD2-NZ 2.75Å; D112-E122 WeakPolarHBondContact OD1-CA 3.23Å; D112-E122 WeakPolarHBondContact OD1-CB 3.34Å; D112-I123 HydrophobicContact CB-CD1 3.96Å; D112-I123 HydrophobicContact CB-CG1 3.83Å; D112-I123 PolarHBondContact OD1-N 3.37Å
113A98.3Very high95.3Very high27 Ų2735.9 Ų35.922%0.22320%0.197CC..Hα-helixtrans-63.6-46.217800000111.8M91 Y95 H109 F110 K116 I117M91-A113 HydrophobicContact CE-CB 3.79Å; Y95-A113 VanDerWaalsContact OH-CB 3.27Å; Y95-A113 WeakPolarHBondContact OH-CB 3.21Å; H109-A113 WeakPolarHBondContact O-CB 3.42Å; H109-A113 PolarHBondContact O-N 3.2Å; F110-A113 PolarHBondContact O-N 3.28Å; A113-K116 PolarHBondContact O-N 2.69Å; A113-I117 WeakPolarHBondContact O-CG1 2.8Å; A113-I117 PolarHBondContact O-N 3.34Å
114L98.7Very high96Very high0 Ų037.1 Ų37.10%021%0.205CC..Hα-helixtrans-65.5-43.1179.9-178.257.7000111.6V32 I87 V88 M91 F110 K116 I117 L118V32-L114 HydrophobicContact CB-CD2 3.76Å; V32-L114 HydrophobicContact CB-CG 4.27Å; V32-L114 HydrophobicContact CG1-CD2 4.09Å; V32-L114 HydrophobicContact CG1-CG 4.23Å; V32-L114 HydrophobicContact CG2-CB 4.31Å; V32-L114 HydrophobicContact CG2-CD2 4.1Å; V32-L114 HydrophobicContact CG2-CG 4.26Å; I87-L114 HydrophobicContact CG2-CD1 4.09Å; V88-L114 HydrophobicContact CG2-CD1 4.23Å; V88-L114 HydrophobicContact CG2-CD2 4.29Å; M91-L114 HydrophobicContact CE-CB 4.08Å; M91-L114 HydrophobicContact SD-CB 4.13Å; M91-L114 HydrophobicContact SD-CD1 3.81Å; F110-L114 HydrophobicContact CE1-CD2 4.09Å; F110-L114 HydrophobicContact CE2-CB 4.43Å; F110-L114 HydrophobicContact CE2-CD2 4.24Å; F110-L114 HydrophobicContact CZ-CB 4.47Å; F110-L114 HydrophobicContact CZ-CD2 3.6Å; F110-L114 WeakPolarHBondContact O-CB 3.5Å; F110-L114 PolarHBondContact O-N 2.85Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 2.69Å; L114-I117 PolarHBondContact O-N 2.91Å; L114-L118 HydrophobicContact CD1-CD1 3.79Å; L114-L118 HydrophobicContact CD1-CD2 4.33Å; L114-L118 HydrophobicContact CD1-CG 3.82Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.3Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 3.17Å
115S98.6Very high96.5Very high0 Ų038 Ų380%022%0.216CC..Hα-helixtrans-59.5-42.8175.9-178.40000111.8Q74 T111 L118 C119 G120 K121Q74-S115 WeakPolarHBondContact CG-OG 3.36Å; T111-S115 WeakPolarHBondContact O-CB 3.4Å; T111-S115 PolarHBondContact O-N 2.83Å; S115-L118 PolarHBondContact O-N 3.47Å; S115-C119 PolarHBondContact O-N 3.42Å; S115-C119 PolarHBondContact O-SG 2.84Å; S115-G120 PolarHBondContact O-N 3.25Å; S115-K121 CarbonylContact C-O 3.54Å; S115-K121 VanDerWaalsContact C-O 3.28Å; S115-K121 VanDerWaalsContact CB-O 3.3Å; S115-K121 WeakPolarHBondContact CB-O 3.29Å; S115-K121 PolarHBondContact OG-O 3.37Å
116K98.2Very high96.5Very high77 Ų7739.9 Ų39.934%0.33522%0.222SC..Hα-helixtrans-63.2-42.4175.4-74.5-178.9-134.5-168.40112.5D112 A113 L114 G120 K121 E122D112-K116 WeakPolarHBondContact O-CG 3.28Å; D112-K116 PolarHBondContact O-N 3.4Å; D112-K116 WeakPolarHBondContact OD1-CE 3.37Å; D112-K116 IonicContact OD1-NZ 2.75Å; D112-K116 WeakPolarHBondContact OD2-CE 3.45Å; D112-K116 IonicContact OD2-NZ 2.69Å; D112-K116 PolarHBondContact OD2-NZ 2.75Å; A113-K116 PolarHBondContact O-N 2.69Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 2.69Å; K116-G120 WeakPolarHBondContact O-CA 3.38Å; K116-G120 PolarHBondContact O-N 2.99Å; K116-K121 PolarHBondContact N-O 2.97Å; K116-E122 HydrophobicContact CD-CG 3.96Å; K116-E122 VanDerWaalsContact CE-CG 3.49Å; K116-E122 WeakPolarHBondContact CE-OE1 3.36Å; K116-E122 HydrophobicContact CG-CG 4.16Å; K116-E122 IonicContact NZ-OE1 2.98Å; K116-E122 PolarHBondContact NZ-OE1 3.36Å
117I98.3Very high96.5Very high80 Ų8039.8 Ų39.841%0.4122%0.222SC..Hα-helixtrans-63.5-48177.7-67.8163.4000110.4F79 I87 M91 A113 L114F79-I117 WeakPolarHBondContact CE2-O 3.34Å; I87-I117 HydrophobicContact CD1-CG2 4.06Å; I87-I117 HydrophobicContact CG1-CG2 4.49Å; I87-I117 HydrophobicContact CG2-CD1 4.44Å; I87-I117 HydrophobicContact CG2-CG2 3.82Å; M91-I117 HydrophobicContact CE-CD1 4.31Å; M91-I117 HydrophobicContact CG-CD1 4.45Å; M91-I117 HydrophobicContact SD-CD1 3.82Å; A113-I117 WeakPolarHBondContact O-CG1 2.8Å; A113-I117 PolarHBondContact O-N 3.34Å; L114-I117 PolarHBondContact O-N 2.91Å
118L98.3Very high96.2Very high7 Ų741.1 Ų41.14%0.03723%0.229CC..Hα-helixtrans-76.4-37.5-171.6-65.2-177.9000114V6 V32 V34 T77 F79 V84 I87 L114 S115V6-L118 HydrophobicContact CG1-CD1 4.3Å; V6-L118 HydrophobicContact CG2-CB 4.22Å; V32-L118 HydrophobicContact CG1-CD1 4.04Å; V34-L118 HydrophobicContact CG1-CD1 4.16Å; T77-L118 WeakPolarHBondContact CB-O 3.01Å; T77-L118 PolarHBondContact OG1-O 3.1Å; T77-L118 VanDerWaalsContact OG1-O 3.12Å; F79-L118 HydrophobicContact CD2-CD2 3.99Å; V84-L118 HydrophobicContact CG2-CD2 3.99Å; I87-L118 HydrophobicContact CD1-CD2 4.12Å; L114-L118 HydrophobicContact CD1-CD1 3.79Å; L114-L118 HydrophobicContact CD1-CD2 4.33Å; L114-L118 HydrophobicContact CD1-CG 3.82Å; L114-L118 HydrophobicContact CG-CD1 3.93Å; L114-L118 HydrophobicContact CG-CG 4.3Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 3.17Å; S115-L118 PolarHBondContact O-N 3.47Å
119C97.3Very high95.6Very high30 Ų3047.1 Ų47.120%0.20325%0.251CS..Hα-helixtrans-138.710.1-172.4690000114.4V6 Q74 Y76 S115 K121V6-C119 HydrophobicContact CG2-CB 4.42Å; Q74-C119 VanDerWaalsContact CB-SG 3.58Å; Y76-C119 WeakPolarHBondContact O-CB 3.24Å; S115-C119 PolarHBondContact O-N 3.42Å; S115-C119 PolarHBondContact O-SG 2.84Å; C119-K121 PolarHBondContact O-N 3.26Å
120G97.1Very high94.8Very high67 Ų6744.9 Ų44.969%0.69124%0.241SC*.SBendtrans70.413.4175.700000114.9S115 K116S115-G120 PolarHBondContact O-N 3.25Å; K116-G120 WeakPolarHBondContact O-CA 3.38Å; K116-G120 PolarHBondContact O-N 2.99Å
121K96.7Very high93.9Very high92 Ų9245.4 Ų45.440%0.425%0.245SC..  trans-121134.6-174.2-170.5-178.6173.31790112.5L73 Q74 S115 K116 C119L73-K121 PolarHBondContact O-NZ 2.95Å; Q74-K121 HydrophobicContact CB-CD 4.45Å; Q74-K121 WeakPolarHBondContact O-CD 3.07Å; Q74-K121 PolarHBondContact O-NZ 3Å; Q74-K121 VanDerWaalsContact O-NZ 3.11Å; S115-K121 CarbonylContact C-O 3.54Å; S115-K121 VanDerWaalsContact C-O 3.28Å; S115-K121 VanDerWaalsContact CB-O 3.3Å; S115-K121 WeakPolarHBondContact CB-O 3.29Å; S115-K121 PolarHBondContact OG-O 3.37Å; K116-K121 PolarHBondContact N-O 2.97Å; C119-K121 PolarHBondContact O-N 3.26Å
122E97.3Very high92.9Very high124 Ų12452 Ų5258%0.57927%0.274SS*.PPolyproline II helixtrans-75150172.4-42.7-164.2117.900111.3Q74 D112 K116Q74-E122 PolarHBondContact OE1-O 3.26Å; D112-E122 WeakPolarHBondContact OD1-CA 3.23Å; D112-E122 WeakPolarHBondContact OD1-CB 3.34Å; K116-E122 HydrophobicContact CD-CG 3.96Å; K116-E122 VanDerWaalsContact CE-CG 3.49Å; K116-E122 WeakPolarHBondContact CE-OE1 3.36Å; K116-E122 HydrophobicContact CG-CG 4.16Å; K116-E122 IonicContact NZ-OE1 2.98Å; K116-E122 PolarHBondContact NZ-OE1 3.36Å
123I97.3Very high91.9Very high12 Ų1251.1 Ų51.16%0.06227%0.27CS..PPolyproline II helixtrans-70.3155175.266.2174.2000110.8L8 N108 D112 V127L8-I123 HydrophobicContact CD1-CG2 3.68Å; L8-I123 HydrophobicContact CD2-CB 3.76Å; L8-I123 HydrophobicContact CD2-CG2 3.67Å; L8-I123 HydrophobicContact CG-CG2 4.26Å; N108-I123 HydrophobicContact CB-CD1 4.06Å; N108-I123 VanDerWaalsContact O-CD1 3.27Å; N108-I123 WeakPolarHBondContact O-CD1 3.45Å; D112-I123 HydrophobicContact CB-CD1 3.96Å; D112-I123 HydrophobicContact CB-CG1 3.83Å; D112-I123 PolarHBondContact OD1-N 3.37Å; I123-V127 HydrophobicContact CD1-CB 4.26Å; I123-V127 HydrophobicContact CD1-CG1 4.16Å
124P96.2Very high90.8Very high29 Ų2950.2 Ų50.219%0.18826%0.261CS..PPolyproline II helixtrans-57.5130.2178.7-26.135.2000111.8I72 W126 V127I72-P124 HydrophobicContact CD1-CG 3.92Å; P124-W126 HydrophobicContact CB-CG 4.4Å; P124-W126 VanDerWaalsContact CB-NE1 3.3Å; P124-W126 PolarHBondContact O-N 2.93Å; P124-V127 HydrophobicContact CB-CG2 4.19Å; P124-V127 WeakPolarHBondContact O-CB 3.3Å; P124-V127 WeakPolarHBondContact O-CG2 3.43Å; P124-V127 PolarHBondContact O-N 3.35Å
125P92.1Very high89.6Confident117 Ų11754.3 Ų54.376%0.7629%0.29SS*.THydrogen-bonded Turntrans-57.2-25.9-173.4-29.835.1000115.1V127 N128 R129P125-V127 PolarHBondContact O-N 2.95Å; P125-N128 PolarHBondContact O-N 3.27Å; P125-R129 PolarHBondContact O-N 2.89Å
126W90Very high88.6Confident77 Ų7756.8 Ų56.829%0.29231%0.307SS..THydrogen-bonded Turntrans-67-22.8178.167.6-99.5000113.3V10 Y28 V70 I72 P124 R129V10-W126 HydrophobicContact CB-CH2 4.35Å; V10-W126 HydrophobicContact CG1-CH2 3.87Å; V10-W126 HydrophobicContact CG1-CZ3 3.99Å; V10-W126 HydrophobicContact CG2-CH2 4.3Å; Y28-W126 HydrophobicContact CD1-CZ3 4.42Å; Y28-W126 HydrophobicContact CD2-CE3 4.05Å; Y28-W126 HydrophobicContact CD2-CZ3 4Å; Y28-W126 HydrophobicContact CE1-CZ3 4.47Å; Y28-W126 AromaticContact CE2-CE3 3.91Å; Y28-W126 HydrophobicContact CE2-CE3 3.91Å; Y28-W126 HydrophobicContact CE2-CZ3 4Å; Y28-W126 HydrophobicContact CG-CZ3 4.21Å; V70-W126 HydrophobicContact CG1-CH2 4.01Å; V70-W126 HydrophobicContact CG1-CZ2 4.34Å; I72-W126 HydrophobicContact CD1-CZ2 3.77Å; P124-W126 HydrophobicContact CB-CG 4.4Å; P124-W126 VanDerWaalsContact CB-NE1 3.3Å; P124-W126 PolarHBondContact O-N 2.93Å; W126-R129 WeakPolarHBondContact O-CB 3.49Å; W126-R129 PolarHBondContact O-N 3.4Å
127V91.8Very high87.6Confident2 Ų253.2 Ų53.21%0.01229%0.291CS..THydrogen-bonded Turntrans-67.2-39.4179.3-179.70000110.4L8 V10 N108 I123 P124 P125L8-V127 HydrophobicContact CD2-CG2 4.21Å; V10-V127 HydrophobicContact CG1-CG1 4.39Å; V10-V127 HydrophobicContact CG2-CG1 4.42Å; V10-V127 HydrophobicContact CG2-CG2 4.11Å; N108-V127 PolarHBondContact ND2-O 3.45Å; I123-V127 HydrophobicContact CD1-CB 4.26Å; I123-V127 HydrophobicContact CD1-CG1 4.16Å; P124-V127 HydrophobicContact CB-CG2 4.19Å; P124-V127 WeakPolarHBondContact O-CB 3.3Å; P124-V127 WeakPolarHBondContact O-CG2 3.43Å; P124-V127 PolarHBondContact O-N 3.35Å; P125-V127 PolarHBondContact O-N 2.95Å
128N88.4Confident86.3Confident29 Ų2954.2 Ų54.216%0.15530%0.303CS..THydrogen-bonded Turntrans-103.631.4178.2-15720.8000113.3N106 N108 H109 P125 L130 A131 F132N106-N128 PolarHBondContact ND2-OD1 3.26Å; N106-N128 VanDerWaalsContact ND2-OD1 3.17Å; N108-N128 HydrophobicContact CB-CB 3.76Å; H109-N128 PolarHBondContact CE1-ND2 3.16Å; H109-N128 VanDerWaalsContact CE1-ND2 3.33Å; H109-N128 PolarHBondContact NE2-ND2 3.03Å; P125-N128 PolarHBondContact O-N 3.27Å; N128-L130 VanDerWaalsContact C-N 3.27Å; N128-L130 PolarHBondContact O-N 3.15Å; N128-A131 PolarHBondContact O-N 3.05Å; N128-A131 VanDerWaalsContact OD1-CB 3.28Å; N128-A131 WeakPolarHBondContact OD1-CB 3.31Å; N128-F132 PolarHBondContact O-N 3.02Å
129R83.8Confident85.2Confident129 Ų12957 Ų5749%0.48732%0.315SS..Hα-helixtrans-60.3-33.8-174.9-174.8178-70.7-170.3-1.1113.2P125 W126 F132 I133P125-R129 PolarHBondContact O-N 2.89Å; W126-R129 WeakPolarHBondContact O-CB 3.49Å; W126-R129 PolarHBondContact O-N 3.4Å; R129-F132 WeakPolarHBondContact O-CB 3.21Å; R129-F132 PolarHBondContact O-N 3.4Å; R129-I133 HydrophobicContact CG-CD1 3.7Å; R129-I133 HydrophobicContact CG-CG1 4.13Å; R129-I133 WeakPolarHBondContact O-CG1 3.15Å; R129-I133 PolarHBondContact O-N 2.9Å
130L78.3Confident84.1Confident7 Ų755.6 Ų55.64%0.03731%0.306CS..Hα-helixtrans-59.9-50.8178.3179.575.6000111.9L20 V25 I27 L102 N128 F132 I133 S134 L140 F144L20-L130 HydrophobicContact CD1-CD1 4.23Å; V25-L130 HydrophobicContact CG1-CB 4.32Å; V25-L130 HydrophobicContact CG1-CD1 3.92Å; I27-L130 HydrophobicContact CD1-CD1 4.35Å; I27-L130 HydrophobicContact CD1-CD2 3.42Å; I27-L130 VanDerWaalsContact CD1-CD2 3.42Å; I27-L130 HydrophobicContact CD1-CG 4.4Å; I27-L130 HydrophobicContact CG1-CB 4.45Å; I27-L130 HydrophobicContact CG1-CD1 4.32Å; I27-L130 HydrophobicContact CG1-CD2 3.81Å; I27-L130 HydrophobicContact CG1-CG 4.42Å; I27-L130 HydrophobicContact CG2-CD2 4.22Å; L102-L130 HydrophobicContact CD1-CD2 4.34Å; L102-L130 HydrophobicContact CD2-CD2 4.25Å; L102-L130 HydrophobicContact CG-CD2 3.97Å; N128-L130 VanDerWaalsContact C-N 3.27Å; N128-L130 PolarHBondContact O-N 3.15Å; L130-F132 PolarHBondContact O-N 3.34Å; L130-I133 PolarHBondContact O-N 3.05Å; L130-I133 VanDerWaalsContact O-N 3.12Å; L130-S134 PolarHBondContact O-N 3.28Å; L130-S134 PolarHBondContact O-OG 3.17Å; L130-L140 HydrophobicContact CD1-CD2 4.33Å; L130-F144 HydrophobicContact CD1-CE2 4.19Å; L130-F144 HydrophobicContact CD1-CZ 3.8Å
131A78.7Confident82.9Confident10 Ų1055.9 Ų55.98%0.08329%0.289CS..Hα-helixtrans-59.4-38.4179.400000111.4M103 N128 S134 S135M103-A131 WeakPolarHBondContact O-CB 3.46Å; N128-A131 PolarHBondContact O-N 3.05Å; N128-A131 VanDerWaalsContact OD1-CB 3.28Å; N128-A131 WeakPolarHBondContact OD1-CB 3.31Å; A131-S134 WeakPolarHBondContact CA-OG 3.23Å; A131-S134 PolarHBondContact O-OG 3.39Å; A131-S135 PolarHBondContact O-N 2.96Å
132F78.1Confident81.8Confident138 Ų13860.7 Ų60.761%0.60531%0.305SS*.Hα-helixtrans-63.4-48.6173.9-178.7-97.5000111.9N128 R129 L130 S134 S135 C136N128-F132 PolarHBondContact O-N 3.02Å; R129-F132 WeakPolarHBondContact O-CB 3.21Å; R129-F132 PolarHBondContact O-N 3.4Å; L130-F132 PolarHBondContact O-N 3.34Å; F132-S134 PolarHBondContact O-N 3.02Å; F132-S135 PolarHBondContact O-N 3.45Å; F132-S135 PolarHBondContact O-OG 3.36Å; F132-C136 PolarHBondContact O-N 2.83Å
133I76.2Confident80.6Confident20 Ų2054.8 Ų54.810%0.10328%0.277CS..Hα-helixtrans-66.2-40.3-179.3-66.4173.6000111.2V25 R129 L130 S135 C136 I137 L140 L220V25-I133 HydrophobicContact CB-CD1 4.36Å; V25-I133 HydrophobicContact CG1-CD1 3.95Å; V25-I133 HydrophobicContact CG2-CD1 3.42Å; V25-I133 VanDerWaalsContact CG2-CD1 3.42Å; R129-I133 HydrophobicContact CG-CD1 3.7Å; R129-I133 HydrophobicContact CG-CG1 4.13Å; R129-I133 WeakPolarHBondContact O-CG1 3.15Å; R129-I133 PolarHBondContact O-N 2.9Å; L130-I133 PolarHBondContact O-N 3.05Å; L130-I133 VanDerWaalsContact O-N 3.12Å; I133-S135 VanDerWaalsContact C-N 3.25Å; I133-S135 PolarHBondContact O-N 3.19Å; I133-C136 WeakPolarHBondContact O-CA 3.26Å; I133-C136 WeakPolarHBondContact O-CB 3.44Å; I133-C136 PolarHBondContact O-N 3.1Å; I133-I137 HydrophobicContact CG2-CD1 3.75Å; I133-I137 HydrophobicContact CG2-CG1 4.24Å; I133-I137 PolarHBondContact O-N 3.18Å; I133-L140 HydrophobicContact CG2-CD2 3.9Å; I133-L220 HydrophobicContact CG2-CD2 4.41Å
134S75Confident79.5Confident7 Ų754.8 Ų54.85%0.04928%0.277CS..Hα-helixtrans-61.7-34.8177.757.30000112.2M103 L130 A131 F132 C136 I137M103-S134 WeakPolarHBondContact CB-OG 3.29Å; M103-S134 WeakPolarHBondContact SD-CB 3.4Å; L130-S134 PolarHBondContact O-N 3.28Å; L130-S134 PolarHBondContact O-OG 3.17Å; A131-S134 WeakPolarHBondContact CA-OG 3.23Å; A131-S134 PolarHBondContact O-OG 3.39Å; F132-S134 PolarHBondContact O-N 3.02Å; S134-C136 PolarHBondContact O-N 2.85Å; S134-I137 CarbonylContact O-C 3.56Å; S134-I137 PolarHBondContact O-N 3.09Å
135S74.7Confident78.3Confident87 Ų8754.3 Ų54.361%0.60827%0.274SS*.Hα-helixtrans-64.6-28.8173.879.10000113.1A131 F132 I133A131-S135 PolarHBondContact O-N 2.96Å; F132-S135 PolarHBondContact O-N 3.45Å; F132-S135 PolarHBondContact O-OG 3.36Å; I133-S135 VanDerWaalsContact C-N 3.25Å; I133-S135 PolarHBondContact O-N 3.19Å
136C76.4Confident77.3Confident52 Ų5258.4 Ų58.435%0.35127%0.274SS..Hα-helixtrans-87.6-20.7179.1-67.50000113.3F132 I133 S134F132-C136 PolarHBondContact O-N 2.83Å; I133-C136 WeakPolarHBondContact O-CA 3.26Å; I133-C136 WeakPolarHBondContact O-CB 3.44Å; I133-C136 PolarHBondContact O-N 3.1Å; S134-C136 PolarHBondContact O-N 2.85Å
137I78.5Confident76.4Confident1 Ų160.2 Ų60.21%0.00529%0.286CS..  trans-131.883.6-172.4-50.6-175.5000108.5I133 S134 F139 L140 V216 F219 L220I133-I137 HydrophobicContact CG2-CD1 3.75Å; I133-I137 HydrophobicContact CG2-CG1 4.24Å; I133-I137 PolarHBondContact O-N 3.18Å; S134-I137 CarbonylContact O-C 3.56Å; S134-I137 PolarHBondContact O-N 3.09Å; I137-F139 HydrophobicContact CG2-CD1 3.61Å; I137-F139 HydrophobicContact CG2-CD2 4.05Å; I137-F139 HydrophobicContact CG2-CE1 3.26Å; I137-F139 HydrophobicContact CG2-CE2 3.75Å; I137-F139 HydrophobicContact CG2-CG 4Å; I137-F139 HydrophobicContact CG2-CZ 3.34Å; I137-F139 PolarHBondContact O-N 2.9Å; I137-L140 HydrophobicContact CB-CB 4.13Å; I137-L140 HydrophobicContact CG2-CB 4.09Å; I137-L140 WeakPolarHBondContact O-CB 3.48Å; I137-L140 PolarHBondContact O-N 3.26Å; I137-V216 HydrophobicContact CD1-CG1 4.29Å; I137-F219 HydrophobicContact CD1-CD1 3.47Å; I137-F219 VanDerWaalsContact CD1-CD1 3.47Å; I137-F219 HydrophobicContact CD1-CE1 3.89Å; I137-F219 HydrophobicContact CD1-CG 4.46Å; I137-F219 HydrophobicContact CG1-CD1 3.66Å; I137-F219 HydrophobicContact CG1-CE1 3.57Å; I137-F219 HydrophobicContact CG2-CD1 4.47Å; I137-L220 HydrophobicContact CD1-CD2 3.69Å; I137-L220 HydrophobicContact CD1-CG 4.01Å
138P70.9Confident75.3Confident102 Ų10261 Ų6166%0.66229%0.288SS*.G310 helixtrans-59.7-24.8-173.7-25.934.3000114.4L140P138-L140 VanDerWaalsContact C-N 3.31Å
139F75.2Confident74.8Confident64 Ų6460.6 Ų60.628%0.28129%0.286SS..G310 helixtrans-80.7-9.9177.567-95.9000113.6I137 E141 R142 N215 V216 F219I137-F139 HydrophobicContact CG2-CD1 3.61Å; I137-F139 HydrophobicContact CG2-CD2 4.05Å; I137-F139 HydrophobicContact CG2-CE1 3.26Å; I137-F139 HydrophobicContact CG2-CE2 3.75Å; I137-F139 HydrophobicContact CG2-CG 4Å; I137-F139 HydrophobicContact CG2-CZ 3.34Å; I137-F139 PolarHBondContact O-N 2.9Å; F139-E141 PolarHBondContact O-N 3.31Å; F139-R142 VanDerWaalsContact O-CB 3.3Å; F139-R142 WeakPolarHBondContact O-CB 3.18Å; F139-R142 PolarHBondContact O-N 3.36Å; F139-N215 HydrophobicContact CE2-CB 4.08Å; F139-V216 HydrophobicContact CD2-CG2 4.13Å; F139-V216 HydrophobicContact CE2-CB 4.25Å; F139-V216 HydrophobicContact CE2-CG2 3.54Å; F139-V216 HydrophobicContact CZ-CG2 4.48Å; F139-F219 HydrophobicContact CE1-CD2 4.39Å; F139-F219 HydrophobicContact CE1-CG 4.43Å; F139-F219 HydrophobicContact CZ-CB 4.02Å; F139-F219 HydrophobicContact CZ-CG 4.34Å
140L72.8Confident74.2Confident2 Ų258.2 Ų58.21%0.0129%0.286CS..G310 helixtrans-61-31.8177.5-173.167.3000111.4L130 I133 I137 P138 R142 C143 F144 V216L130-L140 HydrophobicContact CD1-CD2 4.33Å; I133-L140 HydrophobicContact CG2-CD2 3.9Å; I137-L140 HydrophobicContact CB-CB 4.13Å; I137-L140 HydrophobicContact CG2-CB 4.09Å; I137-L140 WeakPolarHBondContact O-CB 3.48Å; I137-L140 PolarHBondContact O-N 3.26Å; P138-L140 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.05Å; L140-C143 VanDerWaalsContact O-CB 3.29Å; L140-C143 WeakPolarHBondContact O-CB 3.39Å; L140-C143 PolarHBondContact O-N 3.49Å; L140-F144 HydrophobicContact CD1-CE2 4.48Å; L140-F144 HydrophobicContact CD2-CE2 4.47Å; L140-F144 HydrophobicContact CG-CE2 4.02Å; L140-F144 WeakPolarHBondContact O-CD2 3.39Å; L140-V216 HydrophobicContact CD1-CB 4.25Å; L140-V216 HydrophobicContact CD1-CG1 3.66Å; L140-V216 HydrophobicContact CD1-CG2 3.54Å
141E72.1Confident73.8Confident73 Ų7360.7 Ų60.734%0.34130%0.302SS..G310 helixtrans-56.7-32174.3-50.8-158146.100111.7M103 F139 C143 F144 I149M103-E141 HydrophobicContact CE-CB 3.82Å; M103-E141 HydrophobicContact CE-CG 3.38Å; M103-E141 VanDerWaalsContact CE-OE1 3.3Å; M103-E141 WeakPolarHBondContact CE-OE1 3.49Å; M103-E141 HydrophobicContact SD-CB 4.45Å; M103-E141 HydrophobicContact SD-CG 3.82Å; F139-E141 PolarHBondContact O-N 3.31Å; E141-C143 PolarHBondContact O-N 3.41Å; E141-F144 PolarHBondContact O-N 3.13Å; E141-I149 HydrophobicContact CB-CD1 3.92Å; E141-I149 WeakPolarHBondContact O-CD1 3.47Å
142R73.9Confident73.1Confident192 Ų19260.5 Ų60.573%0.72530%0.301SS*.G310 helixtrans-69.7-16.1178.8-61.7-179.6171.2173.1-3113.3F139 L140 F144 L212F139-R142 VanDerWaalsContact O-CB 3.3Å; F139-R142 WeakPolarHBondContact O-CB 3.18Å; F139-R142 PolarHBondContact O-N 3.36Å; L140-R142 PolarHBondContact O-N 3.05Å; R142-F144 VanDerWaalsContact C-N 3.3Å; R142-L212 HydrophobicContact CB-CD1 4.48Å; R142-L212 WeakPolarHBondContact O-CD1 3.34Å
143C72.5Confident72.1Confident1 Ų157.9 Ų57.91%0.00731%0.305CS..G310 helixtrans-80.5-11.2176.6-600000112.7Y19 L140 E141 L213Y19-C143 VanDerWaalsContact CE1-O 3.24Å; Y19-C143 WeakPolarHBondContact CE1-O 3.43Å; Y19-C143 PolarHBondContact OH-O 3.39Å; L140-C143 VanDerWaalsContact O-CB 3.29Å; L140-C143 WeakPolarHBondContact O-CB 3.39Å; L140-C143 PolarHBondContact O-N 3.49Å; E141-C143 PolarHBondContact O-N 3.41Å; C143-L213 HydrophobicContact CB-CD2 4.09Å
144F73.1Confident70.9Confident11 Ų1158.8 Ų58.85%0.04832%0.315CS..SBendtrans-108.6150.4-178.7-64-81000111.8V16 L20 I27 L102 L130 L140 E141 R142 R146 W148 I149V16-F144 HydrophobicContact CG1-CE1 4.03Å; L20-F144 HydrophobicContact CD1-CE1 3.83Å; L20-F144 HydrophobicContact CD1-CZ 3.64Å; L20-F144 HydrophobicContact CD2-CE1 3.89Å; L20-F144 HydrophobicContact CD2-CZ 3.69Å; L20-F144 HydrophobicContact CG-CE1 4.11Å; L20-F144 HydrophobicContact CG-CZ 4.15Å; I27-F144 HydrophobicContact CD1-CE1 4.23Å; L102-F144 HydrophobicContact CD2-CD1 4.27Å; L102-F144 HydrophobicContact CD2-CE1 4.46Å; L130-F144 HydrophobicContact CD1-CE2 4.19Å; L130-F144 HydrophobicContact CD1-CZ 3.8Å; L140-F144 HydrophobicContact CD1-CE2 4.48Å; L140-F144 HydrophobicContact CD2-CE2 4.47Å; L140-F144 HydrophobicContact CG-CE2 4.02Å; L140-F144 WeakPolarHBondContact O-CD2 3.39Å; E141-F144 PolarHBondContact O-N 3.13Å; R142-F144 VanDerWaalsContact C-N 3.3Å; F144-R146 PolarHBondContact O-N 3.29Å; F144-W148 HydrophobicContact CB-CE3 4.39Å; F144-W148 AromaticContact CD1-CE3 3.73Å; F144-W148 HydrophobicContact CD1-CE3 3.73Å; F144-W148 AromaticContact CD1-CZ3 3.82Å; F144-W148 HydrophobicContact CD1-CZ3 3.82Å; F144-W148 HydrophobicContact CE1-CZ3 4.44Å; F144-I149 HydrophobicContact CB-CD1 3.67Å; F144-I149 HydrophobicContact CB-CG1 4.06Å
145P71.5Confident69.6Low20 Ų2063.2 Ų63.213%0.1334%0.344CS..  trans-53.1138168.6-25.335.5000111.2E147 W148P145-E147 WeakPolarHBondContact CB-OE2 3.32Å; P145-E147 PolarHBondContact O-N 3.4Å; P145-E147 VanDerWaalsContact O-N 3.13Å; P145-W148 HydrophobicContact CB-CD2 4.29Å; P145-W148 HydrophobicContact CB-CG 4.31Å; P145-W148 HydrophobicContact CG-CD2 4.02Å; P145-W148 HydrophobicContact CG-CE3 4.38Å; P145-W148 HydrophobicContact CG-CH2 4.09Å; P145-W148 HydrophobicContact CG-CZ2 3.69Å; P145-W148 HydrophobicContact CG-CZ3 4.43Å; P145-W148 PolarHBondContact O-N 3.49Å
146R72.5Confident67.8Low203 Ų20363.5 Ų63.577%0.76635%0.346SS*.Hα-helixtrans-60.4-28.1-177.5-76.1-173.6178170.70.3111.7F144 W148 I149 T150F144-R146 PolarHBondContact O-N 3.29Å; R146-W148 PolarHBondContact O-N 2.8Å; R146-I149 PolarHBondContact O-N 3.27Å; R146-T150 WeakPolarHBondContact O-CB 3.22Å; R146-T150 PolarHBondContact O-N 3.42Å; R146-T150 PolarHBondContact O-OG1 2.82Å
147E69.9Low66Low114 Ų11470.5 Ų70.553%0.53337%0.373SS..Hα-helixtrans-64.2-27.5178.7-56.770.3-149.700110.9R43 P145R43-E147 PolarHBondContact NH1-O 2.85Å; R43-E147 PolarHBondContact NH2-O 2.82Å; P145-E147 WeakPolarHBondContact CB-OE2 3.32Å; P145-E147 PolarHBondContact O-N 3.4Å; P145-E147 VanDerWaalsContact O-N 3.13Å
148W70Confident63.8Low19 Ų1977.3 Ų77.37%0.07241%0.41CS..Hα-helixtrans-83.5-25.2-179.5-57.3-0.3000112.2W15 V16 L102 F144 P145 R146 M203 F205W15-W148 HydrophobicContact CE3-CH2 4.05Å; W15-W148 HydrophobicContact CE3-CZ2 4.33Å; W15-W148 HydrophobicContact CH2-CD2 4.29Å; W15-W148 HydrophobicContact CH2-CE3 4.29Å; W15-W148 AromaticContact CH2-CH2 3.96Å; W15-W148 HydrophobicContact CH2-CH2 3.96Å; W15-W148 AromaticContact CH2-CZ2 3.97Å; W15-W148 HydrophobicContact CH2-CZ2 3.97Å; W15-W148 HydrophobicContact CH2-CZ3 4.11Å; W15-W148 HydrophobicContact CZ3-CD2 4.44Å; W15-W148 AromaticContact CZ3-CE2 3.87Å; W15-W148 HydrophobicContact CZ3-CE3 4.39Å; W15-W148 AromaticContact CZ3-CH2 3.26Å; W15-W148 HydrophobicContact CZ3-CH2 3.26Å; W15-W148 AromaticContact CZ3-CZ2 3.32Å; W15-W148 HydrophobicContact CZ3-CZ2 3.32Å; W15-W148 AromaticContact CZ3-CZ3 3.83Å; W15-W148 HydrophobicContact CZ3-CZ3 3.83Å; V16-W148 HydrophobicContact CG1-CZ3 4.21Å; L102-W148 HydrophobicContact CB-CB 4.45Å; L102-W148 VanDerWaalsContact CB-O 3.23Å; L102-W148 WeakPolarHBondContact CB-O 3.5Å; L102-W148 HydrophobicContact CD2-CB 4.05Å; L102-W148 HydrophobicContact CD2-CE3 4.02Å; L102-W148 PolarHBondContact N-O 3.31Å; F144-W148 HydrophobicContact CB-CE3 4.39Å; F144-W148 AromaticContact CD1-CE3 3.73Å; F144-W148 HydrophobicContact CD1-CE3 3.73Å; F144-W148 AromaticContact CD1-CZ3 3.82Å; F144-W148 HydrophobicContact CD1-CZ3 3.82Å; F144-W148 HydrophobicContact CE1-CZ3 4.44Å; P145-W148 HydrophobicContact CB-CD2 4.29Å; P145-W148 HydrophobicContact CB-CG 4.31Å; P145-W148 HydrophobicContact CG-CD2 4.02Å; P145-W148 HydrophobicContact CG-CE3 4.38Å; P145-W148 HydrophobicContact CG-CH2 4.09Å; P145-W148 HydrophobicContact CG-CZ2 3.69Å; P145-W148 HydrophobicContact CG-CZ3 4.43Å; P145-W148 PolarHBondContact O-N 3.49Å; R146-W148 PolarHBondContact O-N 2.8Å; W148-M203 HydrophobicContact CG-CE 4.43Å; W148-F205 HydrophobicContact CZ2-CD1 4.07Å; W148-F205 AromaticContact CZ2-CE1 3.93Å; W148-F205 HydrophobicContact CZ2-CE1 3.93Å
149I75.9Confident61.9Low21 Ų2175.9 Ų75.911%0.10841%0.413CS..Hα-helixtrans-96.3-33.8-176.1-53.6172.4000110.3H101 M103 E141 F144 R146H101-I149 PolarHBondContact CD2-O 3.3Å; H101-I149 PolarHBondContact CE1-O 3.33Å; H101-I149 VanDerWaalsContact CG-O 3.3Å; H101-I149 PolarHBondContact NE2-O 2.99Å; M103-I149 HydrophobicContact CE-CB 4.12Å; M103-I149 HydrophobicContact CE-CD1 3.8Å; M103-I149 HydrophobicContact CE-CG1 3.61Å; M103-I149 HydrophobicContact CE-CG2 3.47Å; M103-I149 VanDerWaalsContact CE-CG2 3.47Å; E141-I149 HydrophobicContact CB-CD1 3.92Å; E141-I149 WeakPolarHBondContact O-CD1 3.47Å; F144-I149 HydrophobicContact CB-CD1 3.67Å; F144-I149 HydrophobicContact CB-CG1 4.06Å; R146-I149 PolarHBondContact O-N 3.27Å
150T72.6Confident59.7Low78 Ų7877.1 Ų77.148%0.47944%0.435SS..SBendtrans-84.3127.9178.7-46.30000108.5R43 R146R43-T150 PolarHBondContact NH1-O 3.34Å; R43-T150 PolarHBondContact NH2-O 2.93Å; R146-T150 WeakPolarHBondContact O-CB 3.22Å; R146-T150 PolarHBondContact O-N 3.42Å; R146-T150 PolarHBondContact O-OG1 2.82Å
151P69.4Low57.5Low59 Ų5983.6 Ų83.638%0.38348%0.475SS..  trans-50.6147169-25.234.2000110.8N98 A153N98-P151 CarbonylContact O-C 3.55Å; N98-P151 VanDerWaalsContact O-CB 3.26Å; N98-P151 WeakPolarHBondContact O-CB 3.26Å; P151-A153 PolarHBondContact O-N 3.35Å
152A63.9Low55.3Low7 Ų786.4 Ų86.46%0.05850%0.498CS..  trans-69.8101.2176.100000107.6R45 N98 A154R45-A152 HydrophobicContact CG-CB 4.18Å; N98-A152 WeakPolarHBondContact CB-O 3.18Å; N98-A152 PolarHBondContact O-N 2.64Å; A152-A154 PolarHBondContact O-N 3.01Å
153A56.5Low53.1Low82 Ų8286.2 Ų86.268%0.67850%0.502SS*.  trans-55.5133.6172.200000108.7P151P151-A153 PolarHBondContact O-N 3.35Å
154A52.1Low51Low39 Ų3988.1 Ų88.132%0.32252%0.522SS..  trans-53.3137.317300000108.5E47 A152 S156E47-A154 HydrophobicContact CG-CB 4.08Å; A152-A154 PolarHBondContact O-N 3.01Å; A154-S156 PolarHBondContact O-N 2.91Å
155P46.5Very low48.9Very low101 Ų10191.1 Ų91.166%0.65654%0.541SS*.  trans-57.2112.7179.922-31.6000109.4
156S37.2Very low47.1Very low92 Ų9292.5 Ų92.564%0.64355%0.55SS**  trans-56.6137.1162.245.90000107.9A154 D158A154-S156 PolarHBondContact O-N 2.91Å; S156-D158 PolarHBondContact O-N 3.33Å
157Q38.8Very low46Very low200 Ų20085.7 Ų85.794%0.93553%0.529SS*.SBendtrans-63.514.9-175.3-68.1-172-7.400115.5
158D32.6Very low45.1Very low144 Ų14482 Ų8277%0.7752%0.518SS*.SBendtrans-98.5115.8175.8-66-32.7000109.3S156S156-D158 PolarHBondContact O-N 3.33Å
159G30.5Very low44.2Very low71 Ų7182.5 Ų82.573%0.73252%0.522SS*.  trans-61.8166.7-164.200000117.4
160A29.3Very low42.9Very low90 Ų9082.6 Ų82.674%0.74452%0.522SS*.  trans66.688.1159.600000117.4
161T26.5Very low42Very low138 Ų13883.1 Ų83.185%0.84752%0.515SS*.  trans-162.981.5132.3380000109.7F163T161-F163 PolarHBondContact O-N 2.97Å
162T26.5Very low41.3Very low133 Ų13387 Ų8782%0.81652%0.522SS*.  trans-82.692.2175.4-420000109.3
163F27.7Very low40.7Very low187 Ų18788.5 Ų88.582%0.8253%0.529SS*.  trans-126.7108.8162.5-89-84.6000108.7T161T161-F163 PolarHBondContact O-N 2.97Å
164G27.8Very low40.1Very low41 Ų4189.4 Ų89.442%0.42352%0.523SS..SBendtrans133.4103.3-178.700000109.8
165T30.1Very low39.7Very low74 Ų7490 Ų9045%0.45453%0.525SS..PPolyproline II helixtrans-5914117617.40000110.1N167 N200T165-N167 PolarHBondContact O-N 3.22Å; T165-N200 PolarHBondContact OG1-O 3.41Å
166P32.8Very low39.3Very low49 Ų4990.5 Ų90.532%0.31853%0.527SS..PPolyproline II helixtrans-59.5122.2176.5-18.829000109.9E170 R171P166-E170 WeakPolarHBondContact CA-OE2 3.18Å; P166-E170 HydrophobicContact CB-CB 3.52Å; P166-E170 HydrophobicContact CB-CG 4.49Å; P166-E170 WeakPolarHBondContact CB-OE2 3.3Å; P166-R171 HydrophobicContact CB-CG 4.21Å; P166-R171 PolarHBondContact O-NH1 3.18Å
167N48.5Very low39.6Very low61 Ų6194.2 Ų94.233%0.32653%0.534SS..PPolyproline II helixtrans-59161.1174.5-91.511.8000110T165 L169 E170 R171 N201T165-N167 PolarHBondContact O-N 3.22Å; N167-L169 CarbonylContact O-C 3.58Å; N167-L169 PolarHBondContact O-N 2.81Å; N167-E170 PolarHBondContact O-N 2.74Å; N167-R171 PolarHBondContact O-N 3.26Å; N167-N201 VanDerWaalsContact OD1-CG 3.29Å; N167-N201 PolarHBondContact OD1-OD1 2.76Å
168A51.8Low39.5Very low36 Ų3688.3 Ų88.330%0.29851%0.509SS..Hα-helixtrans-46.2-35.2-179.300000113.5R171 R172A168-R171 PolarHBondContact O-N 3.29Å; A168-R172 WeakPolarHBondContact O-CG 3.11Å; A168-R172 PolarHBondContact O-N 3.04Å
169L50.8Low39.5Very low29 Ų2990 Ų9015%0.15251%0.513CS..Hα-helixtrans-57.4-53.1169.8-93.8160.8000114.8F52 N167 R171 R172 L173F52-L169 HydrophobicContact CB-CD2 3.36Å; F52-L169 HydrophobicContact CD1-CD1 3.65Å; F52-L169 HydrophobicContact CD1-CD2 3.49Å; F52-L169 VanDerWaalsContact CD1-CD2 3.49Å; F52-L169 HydrophobicContact CD1-CG 4.01Å; F52-L169 HydrophobicContact CD2-CD2 4.05Å; F52-L169 HydrophobicContact CD2-CG 4.38Å; F52-L169 HydrophobicContact CE1-CD1 3.55Å; F52-L169 HydrophobicContact CE1-CD2 4.27Å; F52-L169 HydrophobicContact CE1-CG 4.3Å; F52-L169 HydrophobicContact CE2-CD1 4.46Å; F52-L169 HydrophobicContact CG-CD1 4.19Å; F52-L169 HydrophobicContact CG-CD2 3.36Å; F52-L169 HydrophobicContact CG-CG 4.06Å; F52-L169 HydrophobicContact CZ-CD1 3.97Å; N167-L169 CarbonylContact O-C 3.58Å; N167-L169 PolarHBondContact O-N 2.81Å; L169-R171 VanDerWaalsContact C-N 3.28Å; L169-R171 PolarHBondContact O-N 2.73Å; L169-R172 PolarHBondContact O-N 3.2Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 WeakPolarHBondContact O-CG 3.35Å; L169-L173 PolarHBondContact O-N 3.28Å
170E48.7Very low39.6Very low23 Ų2397 Ų9711%0.10752%0.517CS..Hα-helixtrans-65.8-34.2177.7-75.5-175166.200111.2H44 R45 P166 N167 L173 N174H44-E170 WeakPolarHBondContact CA-OE1 3.49Å; H44-E170 HydrophobicContact CB-CG 3.47Å; H44-E170 VanDerWaalsContact CB-CG 3.47Å; H44-E170 WeakPolarHBondContact CB-OE1 3.43Å; R45-E170 PolarHBondContact N-OE1 3.03Å; P166-E170 WeakPolarHBondContact CA-OE2 3.18Å; P166-E170 HydrophobicContact CB-CB 3.52Å; P166-E170 HydrophobicContact CB-CG 4.49Å; P166-E170 WeakPolarHBondContact CB-OE2 3.3Å; N167-E170 PolarHBondContact O-N 2.74Å; E170-L173 PolarHBondContact O-N 3.4Å; E170-N174 VanDerWaalsContact O-CB 3.25Å; E170-N174 WeakPolarHBondContact O-CB 3.24Å; E170-N174 VanDerWaalsContact O-CG 3.29Å; E170-N174 PolarHBondContact O-N 3.46Å; E170-N174 PolarHBondContact O-ND2 2.87Å
171R54.2Low39.6Very low90 Ų9098 Ų9834%0.3451%0.514SS..Hα-helixtrans-63.5-44.9173-68.5-166.3-66.6-96.510.6111.7P166 N167 A168 L169 S175P166-R171 HydrophobicContact CB-CG 4.21Å; P166-R171 PolarHBondContact O-NH1 3.18Å; N167-R171 PolarHBondContact O-N 3.26Å; A168-R171 PolarHBondContact O-N 3.29Å; L169-R171 VanDerWaalsContact C-N 3.28Å; L169-R171 PolarHBondContact O-N 2.73Å; R171-S175 PolarHBondContact O-N 3.02Å; R171-S175 PolarHBondContact O-OG 2.92Å
172R55.5Low39.7Very low141 Ų14195.4 Ų95.453%0.53250%0.502SS..Hα-helixtrans-62.7-42.2175.3-77.3-173.4179-177.23.8111.9E53 E61 A168 L169 S175E53-R172 PolarHBondContact O-NH1 3.09Å; E61-R172 IonicContact OE2-CZ 3.21Å; E61-R172 IonicContact OE2-NH1 3.75Å; E61-R172 PolarHBondContact OE2-NH1 3.06Å; E61-R172 IonicContact OE2-NH2 2.69Å; E61-R172 PolarHBondContact OE2-NH2 3.24Å; A168-R172 WeakPolarHBondContact O-CG 3.11Å; A168-R172 PolarHBondContact O-N 3.04Å; L169-R172 PolarHBondContact O-N 3.2Å; R172-S175 WeakPolarHBondContact O-CB 2.88Å; R172-S175 PolarHBondContact O-N 3.19Å
173L50.7Low39.6Very low38 Ų3898.1 Ų98.120%0.19950%0.503CS..Hα-helixtrans-73.6-30.8-178.7-69.7173000113.5L46 L48 L169 E170 S175L46-L173 HydrophobicContact CD1-CB 3.97Å; L46-L173 HydrophobicContact CD1-CD1 4.41Å; L48-L173 HydrophobicContact CD1-CB 4.45Å; L48-L173 HydrophobicContact CD1-CD1 4.45Å; L48-L173 HydrophobicContact CD1-CD2 4.38Å; L169-L173 WeakPolarHBondContact O-CB 3.37Å; L169-L173 WeakPolarHBondContact O-CG 3.35Å; L169-L173 PolarHBondContact O-N 3.28Å; E170-L173 PolarHBondContact O-N 3.4Å; L173-S175 VanDerWaalsContact C-N 3.29Å
174N43.5Very low39.5Very low101 Ų10194.9 Ų94.954%0.5450%0.503SS..THydrogen-bonded Turntrans-80.4-6.2174.2-74.2-18.6000113.3E170E170-N174 VanDerWaalsContact O-CB 3.25Å; E170-N174 WeakPolarHBondContact O-CB 3.24Å; E170-N174 VanDerWaalsContact O-CG 3.29Å; E170-N174 PolarHBondContact O-N 3.46Å; E170-N174 PolarHBondContact O-ND2 2.87Å
175S43.9Very low39.5Very low52 Ų5297.5 Ų97.536%0.36452%0.52SS..SBendtrans-64.3131172-72.10000109.5R171 R172 L173 E177 N178R171-S175 PolarHBondContact O-N 3.02Å; R171-S175 PolarHBondContact O-OG 2.92Å; R172-S175 WeakPolarHBondContact O-CB 2.88Å; R172-S175 PolarHBondContact O-N 3.19Å; L173-S175 VanDerWaalsContact C-N 3.29Å; S175-E177 PolarHBondContact O-N 2.98Å; S175-N178 PolarHBondContact O-N 3.13Å; S175-N178 VanDerWaalsContact O-N 3.1Å
176P37.2Very low39.3Very low110 Ų11099.2 Ų99.271%0.71454%0.535SS*.G310 helixtrans-61.5-6.2-175.622.2-32.4000114.7N178P176-N178 PolarHBondContact O-N 3.44Å
177E44.4Very low38.9Very low170 Ų170107.6 Ų107.679%0.79456%0.561SS**G310 helixtrans-66.6-23.4172.9-62.4-174.116100112.8S175S175-E177 PolarHBondContact O-N 2.98Å
178N36.4Very low37.8Very low76 Ų76111.9 Ų111.941%0.40658%0.584SS.*G310 helixtrans-87.9-11.2-176.5-143.728.2000114.6S175 P176 R180 T181S175-N178 PolarHBondContact O-N 3.13Å; S175-N178 VanDerWaalsContact O-N 3.1Å; P176-N178 PolarHBondContact O-N 3.44Å; N178-R180 PolarHBondContact O-N 3.27Å; N178-T181 PolarHBondContact O-OG1 3.44Å
179E32.3Very low36.7Very low180 Ų180115.5 Ų115.584%0.84161%0.607SS**G310 helixtrans-76.3-9.6173.2-74.5-167.7142.100112.9
180R32.3Very low35.4Very low217 Ų217123.1 Ų123.182%0.81964%0.639SS**G310 helixtrans-106.32.3-174.3-122.9176.9-130.7-106.60.4115.7N178 S182N178-R180 PolarHBondContact O-N 3.27Å; R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 3.1Å
181T31Very low34.5Very low111 Ų111129.2 Ų129.268%0.68167%0.672SS**  trans-94.636.7178.958.20000112.4N178N178-T181 PolarHBondContact O-OG1 3.44Å
182S27.8Very low33.1Very low84 Ų84128.7 Ų128.759%0.58768%0.683SS**SBendtrans-115126.1143.966.50000106.1R180R180-S182 VanDerWaalsContact C-N 3.26Å; R180-S182 PolarHBondContact O-N 3.1Å
183F24.5Very low31.7Very low191 Ų191131.4 Ų131.484%0.83870%0.701SS**SBendtrans94.3108.6-174.4-60.6-82.6000117.9
184S26.5Very low30.5Very low119 Ų119135.2 Ų135.283%0.83273%0.731SS**  trans83.1110.5154.475.20000118.2
185A27.9Very low29.6Very low95 Ų95139.2 Ų139.279%0.78575%0.747SS**  trans-56.9134.7161.200000111.2
186S24.8Very low28.7Very low110 Ų110148.3 Ų148.377%0.76977%0.773SS**  trans169.6137.8132.9-83.80000112.8
187R24.3Very low28.1Very low225 Ų225148 Ų14885%0.84977%0.771SS**  trans79.9105.3146.7-74.6174.9177.8-175.6-1.3119.5
188N25.5Very low27.2Very low151 Ų151146.1 Ų146.181%0.80778%0.777SS**  45.5130.4118.4-73.14.5000120.5
189S28.8Very low26.7Very low112 Ų112144.1 Ų144.178%0.78377%0.774SS**  trans62.210815166.80000116
190F24.1Very low26.4Very low189 Ų189140.9 Ų140.983%0.82976%0.763SS**  trans-147.8116.5142.5-143-105.5000111.3S192F190-S192 WeakPolarHBondContact CD1-OG 3.5Å
191D28.3Very low26.7Very low151 Ų151132.6 Ų132.681%0.80774%0.735SS**  trans-77122.9160.8179.619.1000106.9
192S25.2Very low26.7Very low80 Ų80131.7 Ų131.756%0.55973%0.725SS**  trans-171.6116.3157.251.50000111.2F190 S194F190-S192 WeakPolarHBondContact CD1-OG 3.5Å; S192-S194 PolarHBondContact O-N 2.87Å
193Q25.7Very low27.1Very low197 Ų197131.4 Ų131.492%0.92172%0.716SS**  trans-25.4115.8153.1-60.8179-23.300111.9
194S26.1Very low27.6Very low118 Ų118131 Ų13183%0.82572%0.716SS**  trans-118.1137.1171.665.60000110.4S192S192-S194 PolarHBondContact O-N 2.87Å
195E24.4Very low28.4Very low186 Ų186130.7 Ų130.787%0.86970%0.7SS**  trans-74.4140.7-164.3-61.4177116.200112.2P197E195-P197 VanDerWaalsContact O-CD 3.22Å; E195-P197 WeakPolarHBondContact O-CD 3.49Å
196R24.5Very low28.8Very low242 Ų242130.7 Ų130.791%0.91369%0.692SS**  trans-62.5121.9176.7-71.7173.8171.6-178.5-5111.8
197P25Very low29.6Very low104 Ų104131 Ų13168%0.67569%0.694SS**  trans-104.5104158.313.19.1000108.5E195 G199E195-P197 VanDerWaalsContact O-CD 3.22Å; E195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-G199 PolarHBondContact O-N 3.36Å
198S25Very low30.6Very low130 Ų130122.4 Ų122.491%0.90967%0.669SS**  trans-59.798.8163.7-58.70000108.5
199G26.2Very low31.8Very low34 Ų34117.6 Ų117.635%0.35165%0.645SS.*  trans-127.3101.2-174.800000111.5P197 N201P197-G199 PolarHBondContact O-N 3.36Å; G199-N201 PolarHBondContact O-N 3.49Å
200N27.3Very low32.9Very low113 Ų113121.7 Ų121.760%0.60464%0.644SS**  trans-45.3121.3170-88.57000112.1T165 D202T165-N200 PolarHBondContact OG1-O 3.41Å; N200-D202 PolarHBondContact O-N 2.95Å
201N37.6Very low34.2Very low43 Ų43120.1 Ų120.123%0.2364%0.639CS.*  trans-84.778166.8-69.2-26.3000108.7N167 G199 M203N167-N201 VanDerWaalsContact OD1-CG 3.29Å; N167-N201 PolarHBondContact OD1-OD1 2.76Å; G199-N201 PolarHBondContact O-N 3.49Å; N201-M203 VanDerWaalsContact C-N 3.33Å; N201-M203 PolarHBondContact O-N 2.93Å
202D30.8Very low35.2Very low91 Ų91115.7 Ų115.749%0.48762%0.615SS.*  trans-82.976.3-178.1-69.6-32.6000111.1N200 H204N200-D202 PolarHBondContact O-N 2.95Å; D202-H204 PolarHBondContact O-N 2.9Å
203M36.7Very low36.4Very low78 Ų78112 Ų11238%0.38459%0.589SS.*  trans-63.6119151.6-80.2-94.5-112.800107W148 N201 F205W148-M203 HydrophobicContact CG-CE 4.43Å; N201-M203 VanDerWaalsContact C-N 3.33Å; N201-M203 PolarHBondContact O-N 2.93Å; M203-F205 HydrophobicContact CB-CD1 4.32Å; M203-F205 HydrophobicContact CB-CE1 3.49Å; M203-F205 VanDerWaalsContact CB-CE1 3.49Å; M203-F205 HydrophobicContact CB-CE2 4.29Å; M203-F205 HydrophobicContact CB-CZ 3.49Å; M203-F205 VanDerWaalsContact CB-CZ 3.49Å; M203-F205 WeakPolarHBondContact O-CD2 3.49Å; M203-F205 WeakPolarHBondContact O-CE2 3.4Å; M203-F205 WeakPolarHBondContact O-CG 3.35Å; M203-F205 WeakPolarHBondContact O-CZ 2.92Å; M203-F205 PolarHBondContact O-N 3.04Å
204H34.5Very low37.7Very low182 Ų182107 Ų10784%0.84357%0.568SS**  trans-78.3121.2-176.9-155.565.5000110.4D202D202-H204 PolarHBondContact O-N 2.9Å
205F43.7Very low39.1Very low114 Ų114105.5 Ų105.550%0.555%0.551SS.*  trans-108.5117.5-164.2-56.2-69.5000113.8W15 W148 M203W15-F205 HydrophobicContact CE3-CE1 4.23Å; W15-F205 HydrophobicContact CE3-CZ 4.46Å; W15-F205 HydrophobicContact CZ3-CE1 4.06Å; W148-F205 HydrophobicContact CZ2-CD1 4.07Å; W148-F205 AromaticContact CZ2-CE1 3.93Å; W148-F205 HydrophobicContact CZ2-CE1 3.93Å; M203-F205 HydrophobicContact CB-CD1 4.32Å; M203-F205 HydrophobicContact CB-CE1 3.49Å; M203-F205 VanDerWaalsContact CB-CE1 3.49Å; M203-F205 HydrophobicContact CB-CE2 4.29Å; M203-F205 HydrophobicContact CB-CZ 3.49Å; M203-F205 VanDerWaalsContact CB-CZ 3.49Å; M203-F205 WeakPolarHBondContact O-CD2 3.49Å; M203-F205 WeakPolarHBondContact O-CE2 3.4Å; M203-F205 WeakPolarHBondContact O-CG 3.35Å; M203-F205 WeakPolarHBondContact O-CZ 2.92Å; M203-F205 PolarHBondContact O-N 3.04Å
206P36.7Very low40.3Very low94 Ų9496.7 Ų96.761%0.6151%0.51SS*.PPolyproline II helixtrans-75.2151.5164.528.8-30.2000111.3
207S40.6Very low41.6Very low117 Ų11788.8 Ų88.882%0.81848%0.484SS*.PPolyproline II helixtrans-60.2143.2-179.434.30000113
208S46.1Very low43.1Very low45 Ų4588.8 Ų88.832%0.31548%0.479SS..PPolyproline II helixtrans-54.6124.4-179.31730000112.5R210 L213S208-R210 VanDerWaalsContact C-N 3.26Å; S208-R210 PolarHBondContact O-N 2.94Å; S208-L213 WeakPolarHBondContact OG-CD1 3.2Å
209P50.2Low44.4Very low49 Ų4985.7 Ų85.732%0.31845%0.449SS..  trans-77.179.9175.331.6-28.6000109Y19 H211 L212Y19-P209 WeakPolarHBondContact OH-CD 2.95Å; P209-H211 PolarHBondContact O-N 3.04Å; P209-L212 HydrophobicContact CB-CD1 4.07Å; P209-L212 HydrophobicContact CB-CG 4.41Å; P209-L212 HydrophobicContact CG-CD1 3.98Å; P209-L212 PolarHBondContact O-N 2.8Å
210R51.3Low45.3Very low199 Ų19986.3 Ų86.375%0.75144%0.444SS*.Hα-helixtrans-44.1-36.2-178.9-68.6-177176.2-126.20.3114S208 L212 L213 N214S208-R210 VanDerWaalsContact C-N 3.26Å; S208-R210 PolarHBondContact O-N 2.94Å; R210-L212 PolarHBondContact O-N 3.18Å; R210-L213 PolarHBondContact O-N 2.93Å; R210-N214 PolarHBondContact O-N 3.42Å
211H51.8Low46.6Very low156 Ų15685 Ų8572%0.72244%0.443SS*.Hα-helixtrans-66.6-33.5-179.7-70.6-68000114.5P209P209-H211 PolarHBondContact O-N 3.04Å
212L49.3Very low47.3Very low58 Ų5890 Ų9030%0.30447%0.47SS..Hα-helixtrans-73.8-33.7178.3-69173.8000111.3R142 P209 R210 N215 V216R142-L212 HydrophobicContact CB-CD1 4.48Å; R142-L212 WeakPolarHBondContact O-CD1 3.34Å; P209-L212 HydrophobicContact CB-CD1 4.07Å; P209-L212 HydrophobicContact CB-CG 4.41Å; P209-L212 HydrophobicContact CG-CD1 3.98Å; P209-L212 PolarHBondContact O-N 2.8Å; R210-L212 PolarHBondContact O-N 3.18Å; L212-N215 PolarHBondContact O-N 3.26Å; L212-V216 PolarHBondContact O-N 2.99Å
213L50Low47.9Very low2 Ų292.7 Ų92.71%0.0148%0.477CS..Hα-helixtrans-68.5-36.6179-60.2170000112.2L20 V23 C143 S208 R210 N215 V216 M217L20-L213 HydrophobicContact CD2-CD2 4.26Å; V23-L213 HydrophobicContact CG2-CB 4.18Å; V23-L213 HydrophobicContact CG2-CD2 3.37Å; V23-L213 HydrophobicContact CG2-CG 4.27Å; C143-L213 HydrophobicContact CB-CD2 4.09Å; S208-L213 WeakPolarHBondContact OG-CD1 3.2Å; R210-L213 PolarHBondContact O-N 2.93Å; L213-N215 VanDerWaalsContact C-N 3.32Å; L213-N215 PolarHBondContact O-N 3.26Å; L213-V216 WeakPolarHBondContact O-CB 2.88Å; L213-V216 PolarHBondContact O-N 3.34Å; L213-V216 VanDerWaalsContact O-N 3.13Å; L213-M217 PolarHBondContact O-N 3.3Å
214N53.7Low48.2Very low91 Ų91102.8 Ų102.849%0.48751%0.51SS..Hα-helixtrans-57.7-44174-71.3-8.1000111.8R210 V216 M217 D218R210-N214 PolarHBondContact O-N 3.42Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 2.98Å; N214-M217 PolarHBondContact O-N 2.74Å; N214-M217 VanDerWaalsContact O-N 3.16Å; N214-D218 PolarHBondContact O-N 3.31Å
215N54.9Low48.9Very low88 Ų8898.8 Ų98.847%0.47149%0.494SS..Hα-helixtrans-63.1-33178-67.9-31.1000112.7F139 L212 L213 F219F139-N215 HydrophobicContact CE2-CB 4.08Å; L212-N215 PolarHBondContact O-N 3.26Å; L213-N215 VanDerWaalsContact C-N 3.32Å; L213-N215 PolarHBondContact O-N 3.26Å; N215-F219 WeakPolarHBondContact O-CB 3.34Å; N215-F219 PolarHBondContact O-N 2.94Å
216V50.8Low49.1Very low0 Ų098 Ų980%049%0.493CS..Hα-helixtrans-69.3-44.1175.4-178.50000110.2V23 I137 F139 L140 L212 L213 N214 F219 L220V23-V216 HydrophobicContact CG1-CB 4.25Å; V23-V216 HydrophobicContact CG1-CG1 3.48Å; V23-V216 VanDerWaalsContact CG1-CG1 3.48Å; I137-V216 HydrophobicContact CD1-CG1 4.29Å; F139-V216 HydrophobicContact CD2-CG2 4.13Å; F139-V216 HydrophobicContact CE2-CB 4.25Å; F139-V216 HydrophobicContact CE2-CG2 3.54Å; F139-V216 HydrophobicContact CZ-CG2 4.48Å; L140-V216 HydrophobicContact CD1-CB 4.25Å; L140-V216 HydrophobicContact CD1-CG1 3.66Å; L140-V216 HydrophobicContact CD1-CG2 3.54Å; L212-V216 PolarHBondContact O-N 2.99Å; L213-V216 WeakPolarHBondContact O-CB 2.88Å; L213-V216 PolarHBondContact O-N 3.34Å; L213-V216 VanDerWaalsContact O-N 3.13Å; N214-V216 VanDerWaalsContact C-N 3.27Å; N214-V216 PolarHBondContact O-N 2.98Å; V216-F219 PolarHBondContact O-N 2.84Å; V216-L220 HydrophobicContact CG1-CD1 4Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CG 3.18Å; V216-L220 PolarHBondContact O-N 2.89Å
217M51.7Low49.8Very low76 Ų7698.2 Ų98.237%0.37449%0.487SS..Hα-helixtrans-64.6-41.6179-76.2-61.8-108.100112.7S22 V23 L213 N214 F219 L220 S221S22-M217 WeakPolarHBondContact O-CE 3.16Å; S22-M217 WeakPolarHBondContact O-CG 3.21Å; V23-M217 VanDerWaalsContact CA-SD 3.5Å; L213-M217 PolarHBondContact O-N 3.3Å; N214-M217 PolarHBondContact O-N 2.74Å; N214-M217 VanDerWaalsContact O-N 3.16Å; M217-F219 VanDerWaalsContact C-N 3.3Å; M217-F219 PolarHBondContact O-N 2.78Å; M217-L220 PolarHBondContact O-N 2.76Å; M217-S221 WeakPolarHBondContact O-CB 3.25Å; M217-S221 PolarHBondContact O-N 3.42Å
218D55.5Low50.4Low105 Ų10597.1 Ų97.156%0.56147%0.468SS*.Hα-helixtrans-61.1-41.8175.3-70-22.4000111N214 S221 L222N214-D218 PolarHBondContact O-N 3.31Å; D218-S221 PolarHBondContact O-N 3.37Å; D218-L222 PolarHBondContact O-N 3.23Å
219F53.9Low50.6Low64 Ų64100.4 Ų100.428%0.28148%0.477SS..Hα-helixtrans-66.9-41.7176.8-173.8-88.3000113.1I137 F139 N215 V216 M217 S221 L222 K223I137-F219 HydrophobicContact CD1-CD1 3.47Å; I137-F219 VanDerWaalsContact CD1-CD1 3.47Å; I137-F219 HydrophobicContact CD1-CE1 3.89Å; I137-F219 HydrophobicContact CD1-CG 4.46Å; I137-F219 HydrophobicContact CG1-CD1 3.66Å; I137-F219 HydrophobicContact CG1-CE1 3.57Å; I137-F219 HydrophobicContact CG2-CD1 4.47Å; F139-F219 HydrophobicContact CE1-CD2 4.39Å; F139-F219 HydrophobicContact CE1-CG 4.43Å; F139-F219 HydrophobicContact CZ-CB 4.02Å; F139-F219 HydrophobicContact CZ-CG 4.34Å; N215-F219 WeakPolarHBondContact O-CB 3.34Å; N215-F219 PolarHBondContact O-N 2.94Å; V216-F219 PolarHBondContact O-N 2.84Å; M217-F219 VanDerWaalsContact C-N 3.3Å; M217-F219 PolarHBondContact O-N 2.78Å; F219-S221 VanDerWaalsContact C-N 3.32Å; F219-L222 PolarHBondContact O-N 3.43Å; F219-K223 HydrophobicContact CE1-CD 3.89Å; F219-K223 HydrophobicContact CE1-CG 4.48Å; F219-K223 HydrophobicContact CZ-CD 4.23Å; F219-K223 PolarHBondContact O-N 3.46Å
220L45.1Very low50.7Low48 Ų48103.8 Ų103.825%0.25149%0.488SS..Hα-helixtrans-67.7-33.3177.1-72.5175.3000112.1V23 I133 I137 V216 M217 K223V23-L220 HydrophobicContact CG1-CD1 4.09Å; I133-L220 HydrophobicContact CG2-CD2 4.41Å; I137-L220 HydrophobicContact CD1-CD2 3.69Å; I137-L220 HydrophobicContact CD1-CG 4.01Å; V216-L220 HydrophobicContact CG1-CD1 4Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 WeakPolarHBondContact O-CG 3.18Å; V216-L220 PolarHBondContact O-N 2.89Å; M217-L220 PolarHBondContact O-N 2.76Å; L220-K223 PolarHBondContact O-N 2.95Å
221S53.2Low50.6Low84 Ų8497 Ų9759%0.58747%0.469SS*.Hα-helixtrans-66.4-37.9173.1-171.10000111.7M217 D218 F219 K223 R224M217-S221 WeakPolarHBondContact O-CB 3.25Å; M217-S221 PolarHBondContact O-N 3.42Å; D218-S221 PolarHBondContact O-N 3.37Å; F219-S221 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact O-N 2.76Å; S221-R224 PolarHBondContact O-N 3.24Å
222L52.1Low50.5Low150 Ų15092.5 Ų92.579%0.78545%0.449SS*.THydrogen-bonded Turntrans-69.4-15.6179.7-126.878.1000114.7D218 F219D218-L222 PolarHBondContact O-N 3.23Å; F219-L222 PolarHBondContact O-N 3.43Å
223K45.2Very low50.7Low147 Ų14795.3 Ų95.364%0.63946%0.462SS*.THydrogen-bonded Turntrans-104.35-179.1-79.4-162.4173.5-169.90114.4F219 L220 S221F219-K223 HydrophobicContact CE1-CD 3.89Å; F219-K223 HydrophobicContact CE1-CG 4.48Å; F219-K223 HydrophobicContact CZ-CD 4.23Å; F219-K223 PolarHBondContact O-N 3.46Å; L220-K223 PolarHBondContact O-N 2.95Å; S221-K223 PolarHBondContact O-N 2.76Å
224R41.9Very low50.7Low289 Ų289103.8 Ų103.8100%1.09150%0.503SS*.  trans-86.40165.4-73.2-173.3178.4-170.91.5110.2S221S221-R224 PolarHBondContact O-N 3.24Å

Retrieved 224 of 224 residues in 609.1 ms (Link to these results)

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