A0A077ZF11_TRITR Loading...

RNA-directed DNA polymerase AlphaSync

AlphaFold DB , UniProt , Accession A0A077ZF11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,114 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
1M42.6Very low64Low246 Ų246123.4 Ų123.4100%1.21269%0.686SS**  0104.10-79.1-178170.500107.2
2E42Very low66.1Low193 Ų193122.8 Ų122.890%0.90267%0.674SS**PPolyproline II helixtrans-74.8141179.2-77.8-178.4143.200111.2
3P46.8Very low68.1Low114 Ų114120.9 Ų120.974%0.7467%0.668SS**PPolyproline II helixtrans-67.8150.1174.828.6-32.5000111.3
4P49.4Very low69.8Low128 Ų128113.1 Ų113.183%0.83162%0.624SS**PPolyproline II helixtrans-62.4137.6-176.424.5-32.7000112.2R6P4-R6 PolarHBondContact O-N 2.87Å
5S57.7Low70.9Confident118 Ų118110 Ų11083%0.82561%0.606SS**PPolyproline II helixtrans-57.9126.3179.755.40000112
6R61.1Low71.5Confident177 Ų177105.6 Ų105.667%0.66859%0.585SS**PPolyproline II helixtrans-66.5133.1179.1-141.1178.1-167.8-161.31.7110.3P4P4-R6 PolarHBondContact O-N 2.87Å
7P71Confident71.7Confident115 Ų115108.4 Ų108.475%0.74759%0.593SS**PPolyproline II helixtrans-65.9135.5176.424.5-31.4000111.3
8V77.7Confident71.6Confident94 Ų94105.8 Ų105.857%0.5760%0.596SS**PPolyproline II helixtrans-78.3128.4177.8-179.80000109.7
9V82.6Confident71.9Confident60 Ų60102.5 Ų102.536%0.36458%0.58SS.*  trans-87.8112.5177.7-1770000109.5L33 N34V9-L33 HydrophobicContact CG1-CD1 4.49Å; V9-L33 HydrophobicContact CG2-CB 4.36Å; V9-L33 HydrophobicContact CG2-CD1 4.32Å; V9-N34 PolarHBondContact N-OD1 2.93Å; V9-N34 PolarHBondContact O-ND2 2.84Å
10V85.5Confident72.6Confident102 Ų10298 Ų9862%0.61855%0.553SS**PPolyproline II helixtrans-80.2130.7-177.6-175.30000110.4W44V10-W44 HydrophobicContact CG1-CZ3 4.06Å
11P87.9Confident73Confident10 Ų1098.3 Ų98.37%0.06555%0.55CS.*PPolyproline II helixtrans-68.3153.2174.630.5-37.1000112.1F27 C30 W36 W44 S48P11-F27 HydrophobicContact CB-CD2 3.82Å; P11-F27 HydrophobicContact CB-CE2 4.26Å; P11-F27 HydrophobicContact CG-CD2 4.36Å; P11-F27 HydrophobicContact CG-CE2 4.3Å; P11-C30 HydrophobicContact CB-CB 4.31Å; P11-W36 HydrophobicContact CB-CH2 4.38Å; P11-W36 HydrophobicContact CG-CH2 3.87Å; P11-W44 HydrophobicContact CG-CD2 4.49Å; P11-W44 HydrophobicContact CG-CE3 3.68Å; P11-W44 HydrophobicContact CG-CZ3 4.22Å; P11-S48 WeakPolarHBondContact CG-OG 3.42Å
12Q88.9Confident74.6Confident117 Ų11792.1 Ų92.155%0.54752%0.522SS..PPolyproline II helixtrans-72.8151173.2-67.5-176.9-11.700111W23Q12-W23 PolarHBondContact O-NE1 2.89Å
13T92.2Very high76.9Confident98 Ų9883.7 Ų83.760%0.60148%0.482SS*.PPolyproline II helixtrans-75.2149.4172.651.80000111.8S48 T50T13-S48 CarbonylContact C-O 3.56Å; T13-S48 WeakPolarHBondContact CA-O 3.26Å; T13-T50 HydrophobicContact CG2-CG2 4.19Å
14Y92.1Very high79Confident11 Ų1181 Ų814%0.04346%0.457CS..BIsolated β-bridgetrans-129.4123.4175.6-176.2-110.3000111.8S16 E17 G18 W20 W23 S48 L49 T50 A53 L79Y14-S16 PolarHBondContact OH-O 2.88Å; Y14-E17 WeakPolarHBondContact CE2-O 3.34Å; Y14-G18 PolarHBondContact OH-O 3.16Å; Y14-W20 AromaticContact CD1-CE3 3.7Å; Y14-W20 HydrophobicContact CD1-CE3 3.7Å; Y14-W20 AromaticContact CD1-CZ3 3.74Å; Y14-W20 HydrophobicContact CD1-CZ3 3.74Å; Y14-W20 HydrophobicContact CE1-CD2 4.39Å; Y14-W20 AromaticContact CE1-CE3 3.29Å; Y14-W20 HydrophobicContact CE1-CE3 3.29Å; Y14-W20 AromaticContact CE1-CZ3 3.77Å; Y14-W20 HydrophobicContact CE1-CZ3 3.77Å; Y14-W20 AromaticContact CZ-CE3 3.88Å; Y14-W20 PolarHBondContact OH-N 3.39Å; Y14-W23 HydrophobicContact CD1-CE3 4.47Å; Y14-W23 HydrophobicContact CD2-CB 3.83Å; Y14-W23 HydrophobicContact CD2-CD2 4.24Å; Y14-W23 AromaticContact CD2-CG 3.74Å; Y14-W23 HydrophobicContact CD2-CG 3.74Å; Y14-W23 HydrophobicContact CE2-CB 4.27Å; Y14-W23 HydrophobicContact CG-CB 4.35Å; Y14-W23 AromaticContact CG-CD2 3.86Å; Y14-W23 HydrophobicContact CG-CD2 3.86Å; Y14-W23 HydrophobicContact CG-CE3 4.27Å; Y14-W23 AromaticContact CG-CG 3.86Å; Y14-W23 HydrophobicContact CG-CG 3.86Å; Y14-S48 PolarHBondContact N-O 2.82Å; Y14-L49 HydrophobicContact CD1-CD2 4.13Å; Y14-T50 PolarHBondContact O-N 3.26Å; Y14-T50 PolarHBondContact O-OG1 3.2Å; Y14-A53 HydrophobicContact CD1-CB 3.7Å; Y14-A53 HydrophobicContact CE1-CB 4.15Å; Y14-A53 WeakPolarHBondContact O-CB 3.48Å; Y14-L79 HydrophobicContact CE1-CD1 4.19Å
15D86.7Confident80.8Confident67 Ų6777.9 Ų77.936%0.35844%0.436SS..  trans-107.410.3-174.157.44.5000114E17 T50D15-E17 VanDerWaalsContact C-N 3.32Å; D15-E17 WeakPolarHBondContact OD1-CA 3.41Å; D15-E17 VanDerWaalsContact OD1-CB 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.46Å; D15-E17 PolarHBondContact OD1-N 2.97Å; D15-T50 WeakPolarHBondContact CA-O 3.49Å; D15-T50 WeakPolarHBondContact CA-OG1 3.34Å; D15-T50 WeakPolarHBondContact CB-OG1 3.11Å
16S79.8Confident82.1Confident39 Ų3974 Ų7427%0.27341%0.411SS..SBendtrans81.5-7.9-16784.10000115.8Y14 D52Y14-S16 PolarHBondContact OH-O 2.88Å; S16-D52 WeakPolarHBondContact OG-CB 3.49Å
17E74.8Confident83.7Confident153 Ų15365.6 Ų65.672%0.71538%0.379SS*.  trans-84.2128.5174.1-57.3-164.8165.200110.8Y14 D15Y14-E17 WeakPolarHBondContact CE2-O 3.34Å; D15-E17 VanDerWaalsContact C-N 3.32Å; D15-E17 WeakPolarHBondContact OD1-CA 3.41Å; D15-E17 VanDerWaalsContact OD1-CB 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.46Å; D15-E17 PolarHBondContact OD1-N 2.97Å
18G70.8Confident84.6Confident63 Ų6363.2 Ų63.265%0.64936%0.358SS*.SBendtrans96-167.5-179.400000114.8Y14 W20Y14-G18 PolarHBondContact OH-O 3.16Å; G18-W20 PolarHBondContact O-N 2.86Å
19S76.8Confident85.1Confident42 Ų4263.2 Ų63.229%0.29435%0.352SS..  trans-82.2108.1-173176.20000111Q21 N22 W23S19-Q21 PolarHBondContact O-N 3.49Å; S19-N22 PolarHBondContact O-N 3.09Å; S19-N22 PolarHBondContact OG-N 3.23Å; S19-N22 PolarHBondContact OG-OD1 3.06Å; S19-W23 PolarHBondContact O-N 2.84Å
20W85.3Confident85.4Confident12 Ų1261.1 Ų61.15%0.04534%0.339CS..Hα-helixtrans-47.4-43.8170.9173.5-118.1000112Y14 G18 W23 R24 L49 I72 L75 T76 L79 V80Y14-W20 AromaticContact CD1-CE3 3.7Å; Y14-W20 HydrophobicContact CD1-CE3 3.7Å; Y14-W20 AromaticContact CD1-CZ3 3.74Å; Y14-W20 HydrophobicContact CD1-CZ3 3.74Å; Y14-W20 HydrophobicContact CE1-CD2 4.39Å; Y14-W20 AromaticContact CE1-CE3 3.29Å; Y14-W20 HydrophobicContact CE1-CE3 3.29Å; Y14-W20 AromaticContact CE1-CZ3 3.77Å; Y14-W20 HydrophobicContact CE1-CZ3 3.77Å; Y14-W20 AromaticContact CZ-CE3 3.88Å; Y14-W20 PolarHBondContact OH-N 3.39Å; G18-W20 PolarHBondContact O-N 2.86Å; W20-W23 AromaticContact CE3-CE3 3.98Å; W20-W23 HydrophobicContact CE3-CE3 3.98Å; W20-W23 HydrophobicContact CE3-CZ3 4.38Å; W20-W23 HydrophobicContact CH2-CE3 4.32Å; W20-W23 AromaticContact CH2-CZ3 3.92Å; W20-W23 HydrophobicContact CH2-CZ3 3.92Å; W20-W23 AromaticContact CZ3-CE3 3.64Å; W20-W23 HydrophobicContact CZ3-CE3 3.64Å; W20-W23 AromaticContact CZ3-CZ3 3.58Å; W20-W23 HydrophobicContact CZ3-CZ3 3.58Å; W20-W23 PolarHBondContact O-N 3.04Å; W20-R24 VanDerWaalsContact O-CB 3.28Å; W20-R24 WeakPolarHBondContact O-CB 3.38Å; W20-R24 PolarHBondContact O-N 3.39Å; W20-L49 HydrophobicContact CH2-CD2 4.49Å; W20-L49 HydrophobicContact CZ3-CD2 4.07Å; W20-I72 HydrophobicContact CH2-CD1 4.43Å; W20-I72 HydrophobicContact CZ2-CD1 4.2Å; W20-L75 HydrophobicContact CH2-CB 3.79Å; W20-L75 HydrophobicContact CH2-CD1 3.77Å; W20-L75 HydrophobicContact CH2-CG 4.37Å; W20-L75 HydrophobicContact CZ2-CB 3.66Å; W20-L75 HydrophobicContact CZ2-CD1 4.33Å; W20-T76 PolarHBondContact NE1-OG1 3.36Å; W20-L79 HydrophobicContact CD2-CD1 4.25Å; W20-L79 HydrophobicContact CE3-CD1 3.77Å; W20-L79 HydrophobicContact CH2-CD1 3.83Å; W20-L79 HydrophobicContact CZ2-CD1 4.3Å; W20-L79 HydrophobicContact CZ3-CD1 3.53Å; W20-V80 HydrophobicContact CB-CG2 4.15Å; W20-V80 HydrophobicContact CG-CG2 4.05Å
21Q81.1Confident85.7Confident105 Ų10556.6 Ų56.649%0.49131%0.313SS..Hα-helixtrans-66.5-40.4-179-160.868.89.400112.5S19 R24 T25S19-Q21 PolarHBondContact O-N 3.49Å; Q21-R24 PolarHBondContact O-N 3.05Å; Q21-T25 PolarHBondContact O-N 3Å; Q21-T25 PolarHBondContact O-OG1 3.49Å; Q21-T25 VanDerWaalsContact O-OG1 3.05Å
22N77.4Confident85.7Confident116 Ų11662.4 Ų62.462%0.6234%0.342SS*.Hα-helixtrans-68.2-42.8179.5-679.1000110.8S19 T25 A26S19-N22 PolarHBondContact O-N 3.09Å; S19-N22 PolarHBondContact OG-N 3.23Å; S19-N22 PolarHBondContact OG-OD1 3.06Å; N22-T25 PolarHBondContact O-N 2.89Å; N22-A26 PolarHBondContact O-N 2.95Å
23W90.3Very high85.6Confident17 Ų1760.8 Ų60.86%0.06434%0.336CS..Hα-helixtrans-62.9-45.6176.8179.282.1000111.1Q12 Y14 S19 W20 T25 A26 F27 L45 L49Q12-W23 PolarHBondContact O-NE1 2.89Å; Y14-W23 HydrophobicContact CD1-CE3 4.47Å; Y14-W23 HydrophobicContact CD2-CB 3.83Å; Y14-W23 HydrophobicContact CD2-CD2 4.24Å; Y14-W23 AromaticContact CD2-CG 3.74Å; Y14-W23 HydrophobicContact CD2-CG 3.74Å; Y14-W23 HydrophobicContact CE2-CB 4.27Å; Y14-W23 HydrophobicContact CG-CB 4.35Å; Y14-W23 AromaticContact CG-CD2 3.86Å; Y14-W23 HydrophobicContact CG-CD2 3.86Å; Y14-W23 HydrophobicContact CG-CE3 4.27Å; Y14-W23 AromaticContact CG-CG 3.86Å; Y14-W23 HydrophobicContact CG-CG 3.86Å; S19-W23 PolarHBondContact O-N 2.84Å; W20-W23 AromaticContact CE3-CE3 3.98Å; W20-W23 HydrophobicContact CE3-CE3 3.98Å; W20-W23 HydrophobicContact CE3-CZ3 4.38Å; W20-W23 HydrophobicContact CH2-CE3 4.32Å; W20-W23 AromaticContact CH2-CZ3 3.92Å; W20-W23 HydrophobicContact CH2-CZ3 3.92Å; W20-W23 AromaticContact CZ3-CE3 3.64Å; W20-W23 HydrophobicContact CZ3-CE3 3.64Å; W20-W23 AromaticContact CZ3-CZ3 3.58Å; W20-W23 HydrophobicContact CZ3-CZ3 3.58Å; W20-W23 PolarHBondContact O-N 3.04Å; W23-T25 PolarHBondContact O-N 3.03Å; W23-A26 WeakPolarHBondContact O-CB 3.12Å; W23-A26 PolarHBondContact O-N 3.08Å; W23-A26 VanDerWaalsContact O-N 3.16Å; W23-F27 HydrophobicContact CH2-CB 4.41Å; W23-F27 AromaticContact CH2-CD2 3.89Å; W23-F27 HydrophobicContact CH2-CD2 3.89Å; W23-F27 HydrophobicContact CH2-CE2 4.5Å; W23-F27 HydrophobicContact CH2-CG 4.23Å; W23-F27 HydrophobicContact CZ2-CB 4.47Å; W23-F27 AromaticContact CZ2-CD2 3.94Å; W23-F27 HydrophobicContact CZ2-CD2 3.94Å; W23-F27 HydrophobicContact CZ2-CG 4.5Å; W23-F27 HydrophobicContact CZ3-CB 4.5Å; W23-F27 WeakPolarHBondContact O-CB 3.4Å; W23-F27 PolarHBondContact O-N 2.73Å; W23-L45 HydrophobicContact CH2-CD1 3.77Å; W23-L45 HydrophobicContact CZ3-CD1 4.04Å; W23-L49 HydrophobicContact CH2-CD2 3.76Å; W23-L49 HydrophobicContact CH2-CG 4.44Å; W23-L49 HydrophobicContact CZ2-CD2 4.37Å; W23-L49 HydrophobicContact CZ3-CD2 4.05Å
24R89.5Confident85.5Confident57 Ų5757.7 Ų57.722%0.21532%0.316CS..Hα-helixtrans-57.3-46.1175.4179.4-176165.8173.54112.1W20 Q21 A26 F27 E28W20-R24 VanDerWaalsContact O-CB 3.28Å; W20-R24 WeakPolarHBondContact O-CB 3.38Å; W20-R24 PolarHBondContact O-N 3.39Å; Q21-R24 PolarHBondContact O-N 3.05Å; R24-A26 VanDerWaalsContact C-N 3.33Å; R24-A26 PolarHBondContact O-N 2.92Å; R24-F27 WeakPolarHBondContact O-CB 3.34Å; R24-F27 PolarHBondContact O-N 3.46Å; R24-E28 HydrophobicContact CG-CG 4.46Å; R24-E28 IonicContact CZ-OE1 2.65Å; R24-E28 IonicContact NE-OE1 3.47Å; R24-E28 PolarHBondContact NE-OE1 3.12Å; R24-E28 IonicContact NH2-OE1 2.79Å; R24-E28 PolarHBondContact NH2-OE1 2.91Å; R24-E28 WeakPolarHBondContact O-CG 3.44Å; R24-E28 PolarHBondContact O-N 3.43Å
25T86.9Confident85.3Confident63 Ų6366.8 Ų66.839%0.38735%0.35SS..Hα-helixtrans-61.5-41177.1-60.70000111.8Q21 N22 W23 E28 Q29Q21-T25 PolarHBondContact O-N 3Å; Q21-T25 PolarHBondContact O-OG1 3.49Å; Q21-T25 VanDerWaalsContact O-OG1 3.05Å; N22-T25 PolarHBondContact O-N 2.89Å; W23-T25 PolarHBondContact O-N 3.03Å; T25-E28 PolarHBondContact O-N 2.6Å; T25-Q29 WeakPolarHBondContact O-CG 3.32Å; T25-Q29 PolarHBondContact O-N 3.42Å
26A86.6Confident85.4Confident35 Ų3564.9 Ų64.929%0.28934%0.338SS..Hα-helixtrans-64.2-41.9175.300000111.8N22 W23 R24 Q29 C30N22-A26 PolarHBondContact O-N 2.95Å; W23-A26 WeakPolarHBondContact O-CB 3.12Å; W23-A26 PolarHBondContact O-N 3.08Å; W23-A26 VanDerWaalsContact O-N 3.16Å; R24-A26 VanDerWaalsContact C-N 3.33Å; R24-A26 PolarHBondContact O-N 2.92Å; A26-Q29 WeakPolarHBondContact O-CB 3.28Å; A26-Q29 PolarHBondContact O-N 2.83Å; A26-C30 PolarHBondContact O-N 3.17Å; A26-C30 PolarHBondContact O-SG 3.15Å; A26-C30 VanDerWaalsContact O-SG 3.4Å
27F93.2Very high86Confident2 Ų266.7 Ų66.71%0.00935%0.348CS..Hα-helixtrans-61.6-45175.3-177.5-84.4000112.3P11 W23 R24 Q29 C30 S31 W36 W44 L45 Y68P11-F27 HydrophobicContact CB-CD2 3.82Å; P11-F27 HydrophobicContact CB-CE2 4.26Å; P11-F27 HydrophobicContact CG-CD2 4.36Å; P11-F27 HydrophobicContact CG-CE2 4.3Å; W23-F27 HydrophobicContact CH2-CB 4.41Å; W23-F27 AromaticContact CH2-CD2 3.89Å; W23-F27 HydrophobicContact CH2-CD2 3.89Å; W23-F27 HydrophobicContact CH2-CE2 4.5Å; W23-F27 HydrophobicContact CH2-CG 4.23Å; W23-F27 HydrophobicContact CZ2-CB 4.47Å; W23-F27 AromaticContact CZ2-CD2 3.94Å; W23-F27 HydrophobicContact CZ2-CD2 3.94Å; W23-F27 HydrophobicContact CZ2-CG 4.5Å; W23-F27 HydrophobicContact CZ3-CB 4.5Å; W23-F27 WeakPolarHBondContact O-CB 3.4Å; W23-F27 PolarHBondContact O-N 2.73Å; R24-F27 WeakPolarHBondContact O-CB 3.34Å; R24-F27 PolarHBondContact O-N 3.46Å; F27-Q29 VanDerWaalsContact C-N 3.3Å; F27-Q29 PolarHBondContact O-N 2.88Å; F27-C30 WeakPolarHBondContact O-CB 3.09Å; F27-C30 PolarHBondContact O-N 3.5Å; F27-S31 PolarHBondContact O-N 2.94Å; F27-W36 AromaticContact CE1-CZ3 3.99Å; F27-W36 HydrophobicContact CE1-CZ3 3.99Å; F27-W36 HydrophobicContact CE2-CH2 4.37Å; F27-W36 AromaticContact CE2-CZ3 3.92Å; F27-W36 HydrophobicContact CE2-CZ3 3.92Å; F27-W36 HydrophobicContact CZ-CE3 4.37Å; F27-W36 HydrophobicContact CZ-CH2 4.46Å; F27-W36 AromaticContact CZ-CZ3 3.61Å; F27-W36 HydrophobicContact CZ-CZ3 3.61Å; F27-W44 HydrophobicContact CE2-CB 4.11Å; F27-W44 HydrophobicContact CZ-CB 4.05Å; F27-L45 HydrophobicContact CE1-CB 4.43Å; F27-L45 HydrophobicContact CE2-CB 4.33Å; F27-L45 HydrophobicContact CZ-CB 3.8Å; F27-Y68 HydrophobicContact CD1-CE2 4.22Å; F27-Y68 WeakPolarHBondContact CD1-OH 3.23Å; F27-Y68 AromaticContact CE1-CE2 3.62Å; F27-Y68 HydrophobicContact CE1-CE2 3.62Å
28E91.3Very high86.6Confident64 Ų6463.9 Ų63.930%0.29934%0.335SS..Hα-helixtrans-62.6-36.9176.1-75176-18000111.5R24 T25 S31 I32R24-E28 HydrophobicContact CG-CG 4.46Å; R24-E28 IonicContact CZ-OE1 2.65Å; R24-E28 IonicContact NE-OE1 3.47Å; R24-E28 PolarHBondContact NE-OE1 3.12Å; R24-E28 IonicContact NH2-OE1 2.79Å; R24-E28 PolarHBondContact NH2-OE1 2.91Å; R24-E28 WeakPolarHBondContact O-CG 3.44Å; R24-E28 PolarHBondContact O-N 3.43Å; T25-E28 PolarHBondContact O-N 2.6Å; E28-S31 WeakPolarHBondContact O-CB 3.45Å; E28-S31 PolarHBondContact O-N 3.08Å; E28-I32 WeakPolarHBondContact O-CG1 3.13Å; E28-I32 PolarHBondContact O-N 3.26Å
29Q87.4Confident87.4Confident95 Ų9567.2 Ų67.244%0.44433%0.333SS..Hα-helixtrans-64.6-42172.6-74.1-177.1-10.100112.5T25 A26 F27 S31 I32 L33T25-Q29 WeakPolarHBondContact O-CG 3.32Å; T25-Q29 PolarHBondContact O-N 3.42Å; A26-Q29 WeakPolarHBondContact O-CB 3.28Å; A26-Q29 PolarHBondContact O-N 2.83Å; F27-Q29 VanDerWaalsContact C-N 3.3Å; F27-Q29 PolarHBondContact O-N 2.88Å; Q29-S31 VanDerWaalsContact C-N 3.29Å; Q29-S31 PolarHBondContact O-N 3.32Å; Q29-I32 PolarHBondContact O-N 3.36Å; Q29-L33 WeakPolarHBondContact O-CB 3.3Å; Q29-L33 VanDerWaalsContact O-CG 3.29Å; Q29-L33 WeakPolarHBondContact O-CG 3.46Å; Q29-L33 PolarHBondContact O-N 3.04Å
30C89.6Confident88Confident15 Ų1567.7 Ų67.710%0.10133%0.333CS..Hα-helixtrans-59.2-41.7172.7-67.90000111.4P11 A26 F27 I32 L33 N34 W36P11-C30 HydrophobicContact CB-CB 4.31Å; A26-C30 PolarHBondContact O-N 3.17Å; A26-C30 PolarHBondContact O-SG 3.15Å; A26-C30 VanDerWaalsContact O-SG 3.4Å; F27-C30 WeakPolarHBondContact O-CB 3.09Å; F27-C30 PolarHBondContact O-N 3.5Å; C30-I32 PolarHBondContact O-N 3.35Å; C30-L33 PolarHBondContact O-N 2.93Å; C30-N34 WeakPolarHBondContact O-CB 3.33Å; C30-N34 PolarHBondContact O-N 3.41Å; C30-N34 PolarHBondContact O-ND2 3.03Å; C30-W36 HydrophobicContact CB-CH2 4.07Å; C30-W36 HydrophobicContact CB-CZ3 4.5Å
31S91.2Very high88.4Confident8 Ų869.2 Ų69.26%0.05634%0.34CS..Hα-helixtrans-60.1-45.1176175.50000112.7F27 E28 Q29 R35 W36 K41F27-S31 PolarHBondContact O-N 2.94Å; E28-S31 WeakPolarHBondContact O-CB 3.45Å; E28-S31 PolarHBondContact O-N 3.08Å; Q29-S31 VanDerWaalsContact C-N 3.29Å; Q29-S31 PolarHBondContact O-N 3.32Å; S31-R35 PolarHBondContact O-N 2.94Å; S31-W36 VanDerWaalsContact CA-CE3 3.43Å; S31-W36 VanDerWaalsContact CB-CE3 3.47Å; S31-W36 PolarHBondContact O-N 3.09Å; S31-K41 WeakPolarHBondContact OG-CE 3.47Å; S31-K41 WeakPolarHBondContact OG-CG 3.44Å
32I87.9Confident88.9Confident132 Ų13266 Ų6668%0.67733%0.326SS*.Hα-helixtrans-64.5-43.6177.6-67.2165.3000110.9E28 Q29 C30 R35E28-I32 WeakPolarHBondContact O-CG1 3.13Å; E28-I32 PolarHBondContact O-N 3.26Å; Q29-I32 PolarHBondContact O-N 3.36Å; C30-I32 PolarHBondContact O-N 3.35Å; I32-R35 PolarHBondContact O-N 3.4Å
33L87Confident89.5Confident82 Ų8265.7 Ų65.743%0.42932%0.32SS..Hα-helixtrans-65.5-40.3-179-72.7169.6000112.3V9 Q29 C30V9-L33 HydrophobicContact CG1-CD1 4.49Å; V9-L33 HydrophobicContact CG2-CB 4.36Å; V9-L33 HydrophobicContact CG2-CD1 4.32Å; Q29-L33 WeakPolarHBondContact O-CB 3.3Å; Q29-L33 VanDerWaalsContact O-CG 3.29Å; Q29-L33 WeakPolarHBondContact O-CG 3.46Å; Q29-L33 PolarHBondContact O-N 3.04Å; C30-L33 PolarHBondContact O-N 2.93Å
34N89.6Confident89.6Confident34 Ų3468.7 Ų68.718%0.18233%0.332CS..Hα-helixtrans-86.8-6.6-178.3-67.1-31.4000114.5V9 C30 W36V9-N34 PolarHBondContact N-OD1 2.93Å; V9-N34 PolarHBondContact O-ND2 2.84Å; C30-N34 WeakPolarHBondContact O-CB 3.33Å; C30-N34 PolarHBondContact O-N 3.41Å; C30-N34 PolarHBondContact O-ND2 3.03Å; N34-W36 VanDerWaalsContact C-N 3.31Å; N34-W36 VanDerWaalsContact CB-CD1 3.41Å; N34-W36 HydrophobicContact CB-CD2 4.31Å; N34-W36 HydrophobicContact CB-CG 4.1Å; N34-W36 HydrophobicContact CB-CZ2 4.39Å; N34-W36 VanDerWaalsContact ND2-CE2 3.35Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.48Å; N34-W36 PolarHBondContact ND2-NE1 3.39Å; N34-W36 PolarHBondContact O-N 2.82Å
35R87.8Confident89.7Confident201 Ų20166 Ų6676%0.75832%0.321SS*.THydrogen-bonded Turntrans56.842.2-176.2-55.1-180174.5180-2113.2S31 I32S31-R35 PolarHBondContact O-N 2.94Å; I32-R35 PolarHBondContact O-N 3.4Å
36W90.5Very high89.9Confident27 Ų2764.9 Ų64.910%0.10232%0.319CS..  trans-62135.6178.7-72.5-12.1000112.4P11 F27 C30 S31 N34 D40 K41 W44P11-W36 HydrophobicContact CB-CH2 4.38Å; P11-W36 HydrophobicContact CG-CH2 3.87Å; F27-W36 AromaticContact CE1-CZ3 3.99Å; F27-W36 HydrophobicContact CE1-CZ3 3.99Å; F27-W36 HydrophobicContact CE2-CH2 4.37Å; F27-W36 AromaticContact CE2-CZ3 3.92Å; F27-W36 HydrophobicContact CE2-CZ3 3.92Å; F27-W36 HydrophobicContact CZ-CE3 4.37Å; F27-W36 HydrophobicContact CZ-CH2 4.46Å; F27-W36 AromaticContact CZ-CZ3 3.61Å; F27-W36 HydrophobicContact CZ-CZ3 3.61Å; C30-W36 HydrophobicContact CB-CH2 4.07Å; C30-W36 HydrophobicContact CB-CZ3 4.5Å; S31-W36 VanDerWaalsContact CA-CE3 3.43Å; S31-W36 VanDerWaalsContact CB-CE3 3.47Å; S31-W36 PolarHBondContact O-N 3.09Å; N34-W36 VanDerWaalsContact C-N 3.31Å; N34-W36 VanDerWaalsContact CB-CD1 3.41Å; N34-W36 HydrophobicContact CB-CD2 4.31Å; N34-W36 HydrophobicContact CB-CG 4.1Å; N34-W36 HydrophobicContact CB-CZ2 4.39Å; N34-W36 VanDerWaalsContact ND2-CE2 3.35Å; N34-W36 WeakPolarHBondContact ND2-CZ2 3.48Å; N34-W36 PolarHBondContact ND2-NE1 3.39Å; N34-W36 PolarHBondContact O-N 2.82Å; W36-D40 HydrophobicContact CB-CB 3.64Å; W36-D40 HydrophobicContact CG-CB 3.8Å; W36-K41 HydrophobicContact CB-CG 4.07Å; W36-K41 HydrophobicContact CE3-CG 4.22Å; W36-W44 AromaticContact CD2-CD1 3.85Å; W36-W44 HydrophobicContact CD2-CG 4.29Å; W36-W44 AromaticContact CE2-CD1 3.39Å; W36-W44 AromaticContact CE2-CG 3.79Å; W36-W44 AromaticContact CE2-NE1 3.65Å; W36-W44 HydrophobicContact CE3-CB 4.14Å; W36-W44 HydrophobicContact CE3-CG 4.33Å; W36-W44 HydrophobicContact CH2-CB 3.56Å; W36-W44 AromaticContact CH2-CD2 3.93Å; W36-W44 HydrophobicContact CH2-CD2 3.93Å; W36-W44 HydrophobicContact CH2-CE3 4.42Å; W36-W44 AromaticContact CH2-CG 3.54Å; W36-W44 HydrophobicContact CH2-CG 3.54Å; W36-W44 HydrophobicContact CZ2-CB 3.97Å; W36-W44 AromaticContact CZ2-CD1 3.49Å; W36-W44 VanDerWaalsContact CZ2-CD1 3.49Å; W36-W44 AromaticContact CZ2-CD2 3.58Å; W36-W44 HydrophobicContact CZ2-CD2 3.58Å; W36-W44 AromaticContact CZ2-CE2 3.79Å; W36-W44 HydrophobicContact CZ2-CE3 4.29Å; W36-W44 AromaticContact CZ2-CG 3.4Å; W36-W44 HydrophobicContact CZ2-CG 3.4Å; W36-W44 AromaticContact CZ2-NE1 3.72Å; W36-W44 HydrophobicContact CZ3-CB 3.64Å; W36-W44 AromaticContact CZ3-CG 4Å; W36-W44 HydrophobicContact CZ3-CG 4Å; W36-W44 AromaticContact NE1-CD1 3.68Å; W36-W44 AromaticContact NE1-NE1 3.57Å
37T90.8Very high90.1Very high78 Ų7868.5 Ų68.548%0.47934%0.337SS..  trans-68167.3162.866.40000110.6Q39 D40 K41T37-Q39 PolarHBondContact O-N 2.98Å; T37-D40 WeakPolarHBondContact CB-OD2 3.33Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.34Å; T37-D40 PolarHBondContact N-OD2 3.41Å; T37-D40 WeakPolarHBondContact O-CB 3.46Å; T37-D40 PolarHBondContact O-N 2.83Å; T37-D40 VanDerWaalsContact O-N 3.14Å; T37-D40 PolarHBondContact OG1-N 3.32Å; T37-D40 VanDerWaalsContact OG1-N 3.15Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.31Å
38E87.5Confident90.1Very high93 Ų9368.6 Ų68.644%0.43534%0.338SS..Hα-helixtrans-56.9-35.6173.7-75.2-63.2115.900112.2K41 L42 Y68E38-K41 PolarHBondContact O-N 2.65Å; E38-K41 WeakPolarHBondContact OE1-CE 3.07Å; E38-K41 IonicContact OE1-NZ 2.87Å; E38-K41 PolarHBondContact OE1-NZ 2.88Å; E38-L42 PolarHBondContact O-N 2.77Å; E38-L42 VanDerWaalsContact O-N 3.16Å; E38-Y68 VanDerWaalsContact OE2-CB 3.28Å; E38-Y68 WeakPolarHBondContact OE2-CB 3.34Å
39Q87.5Confident90.2Very high134 Ų13466 Ų6663%0.62633%0.326SS*.Hα-helixtrans-69.4-41.1176.5-168.4169.94.100111.8T37 K41 L42 Q43T37-Q39 PolarHBondContact O-N 2.98Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; Q39-K41 PolarHBondContact O-N 2.78Å; Q39-L42 PolarHBondContact O-N 2.89Å; Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 3.14Å
40D90.4Very high90.4Very high52 Ų5264 Ų6428%0.27832%0.32SS..Hα-helixtrans-62-42.4174.5-61.3-45.3000111W36 T37 L42 Q43 W44W36-D40 HydrophobicContact CB-CB 3.64Å; W36-D40 HydrophobicContact CG-CB 3.8Å; T37-D40 WeakPolarHBondContact CB-OD2 3.33Å; T37-D40 WeakPolarHBondContact CG2-OD2 3.34Å; T37-D40 PolarHBondContact N-OD2 3.41Å; T37-D40 WeakPolarHBondContact O-CB 3.46Å; T37-D40 PolarHBondContact O-N 2.83Å; T37-D40 VanDerWaalsContact O-N 3.14Å; T37-D40 PolarHBondContact OG1-N 3.32Å; T37-D40 VanDerWaalsContact OG1-N 3.15Å; T37-D40 PolarHBondContact OG1-OD2 2.96Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.26Å; D40-Q43 PolarHBondContact O-N 3.41Å; D40-W44 WeakPolarHBondContact O-CB 3.35Å; D40-W44 VanDerWaalsContact O-CD1 3.23Å; D40-W44 PolarHBondContact O-N 2.82Å
41K92.7Very high90.4Very high44 Ų4465.8 Ų65.819%0.19134%0.342CS..Hα-helixtrans-58.5-45176.4-71.5178.6-173.7170.20111.8S31 W36 T37 E38 Q39 L45 Y68S31-K41 WeakPolarHBondContact OG-CE 3.47Å; S31-K41 WeakPolarHBondContact OG-CG 3.44Å; W36-K41 HydrophobicContact CB-CG 4.07Å; W36-K41 HydrophobicContact CE3-CG 4.22Å; T37-K41 WeakPolarHBondContact O-CG 3.29Å; T37-K41 PolarHBondContact O-N 3.31Å; E38-K41 PolarHBondContact O-N 2.65Å; E38-K41 WeakPolarHBondContact OE1-CE 3.07Å; E38-K41 IonicContact OE1-NZ 2.87Å; E38-K41 PolarHBondContact OE1-NZ 2.88Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; Q39-K41 PolarHBondContact O-N 2.78Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.2Å; K41-Y68 HydrophobicContact CB-CD2 3.71Å; K41-Y68 HydrophobicContact CB-CE2 4.21Å; K41-Y68 HydrophobicContact CB-CG 4.18Å; K41-Y68 HydrophobicContact CD-CD1 4.16Å; K41-Y68 HydrophobicContact CD-CD2 4.19Å; K41-Y68 HydrophobicContact CD-CE1 4.49Å; K41-Y68 HydrophobicContact CD-CG 3.98Å
42L91.4Very high90.1Very high37 Ų3770.7 Ų70.719%0.19437%0.367CS..Hα-helixtrans-64.3-42.1178.9-77.8172.5000112.2E38 Q39 D40 L45 A46 C71E38-L42 PolarHBondContact O-N 2.77Å; E38-L42 VanDerWaalsContact O-N 3.16Å; Q39-L42 PolarHBondContact O-N 2.89Å; D40-L42 VanDerWaalsContact C-N 3.34Å; D40-L42 PolarHBondContact O-N 3.26Å; L42-L45 PolarHBondContact O-N 3.26Å; L42-A46 PolarHBondContact O-N 2.92Å; L42-C71 HydrophobicContact CD2-CB 4Å
43Q89.8Confident90.2Very high109 Ų10964.4 Ų64.451%0.50934%0.335SS..Hα-helixtrans-63.4-54.1176.7-72179.1-7.700110.7Q39 D40 L45 A46 V47Q39-Q43 WeakPolarHBondContact O-CG 3.32Å; Q39-Q43 PolarHBondContact O-N 3.14Å; D40-Q43 PolarHBondContact O-N 3.41Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 3.11Å; Q43-A46 PolarHBondContact O-N 2.86Å; Q43-A46 VanDerWaalsContact O-N 3.13Å; Q43-V47 VanDerWaalsContact O-CG2 3.24Å; Q43-V47 WeakPolarHBondContact O-CG2 3.28Å; Q43-V47 PolarHBondContact O-N 3.17Å; Q43-V47 VanDerWaalsContact O-N 3.13Å
44W92.7Very high90.4Very high80 Ų8062.5 Ų62.530%0.30333%0.331SS..Hα-helixtrans-62-34.5178.9-80.1101.9000112.7V10 P11 F27 W36 D40 V47 S48V10-W44 HydrophobicContact CG1-CZ3 4.06Å; P11-W44 HydrophobicContact CG-CD2 4.49Å; P11-W44 HydrophobicContact CG-CE3 3.68Å; P11-W44 HydrophobicContact CG-CZ3 4.22Å; F27-W44 HydrophobicContact CE2-CB 4.11Å; F27-W44 HydrophobicContact CZ-CB 4.05Å; W36-W44 AromaticContact CD2-CD1 3.85Å; W36-W44 HydrophobicContact CD2-CG 4.29Å; W36-W44 AromaticContact CE2-CD1 3.39Å; W36-W44 AromaticContact CE2-CG 3.79Å; W36-W44 AromaticContact CE2-NE1 3.65Å; W36-W44 HydrophobicContact CE3-CB 4.14Å; W36-W44 HydrophobicContact CE3-CG 4.33Å; W36-W44 HydrophobicContact CH2-CB 3.56Å; W36-W44 AromaticContact CH2-CD2 3.93Å; W36-W44 HydrophobicContact CH2-CD2 3.93Å; W36-W44 HydrophobicContact CH2-CE3 4.42Å; W36-W44 AromaticContact CH2-CG 3.54Å; W36-W44 HydrophobicContact CH2-CG 3.54Å; W36-W44 HydrophobicContact CZ2-CB 3.97Å; W36-W44 AromaticContact CZ2-CD1 3.49Å; W36-W44 VanDerWaalsContact CZ2-CD1 3.49Å; W36-W44 AromaticContact CZ2-CD2 3.58Å; W36-W44 HydrophobicContact CZ2-CD2 3.58Å; W36-W44 AromaticContact CZ2-CE2 3.79Å; W36-W44 HydrophobicContact CZ2-CE3 4.29Å; W36-W44 AromaticContact CZ2-CG 3.4Å; W36-W44 HydrophobicContact CZ2-CG 3.4Å; W36-W44 AromaticContact CZ2-NE1 3.72Å; W36-W44 HydrophobicContact CZ3-CB 3.64Å; W36-W44 AromaticContact CZ3-CG 4Å; W36-W44 HydrophobicContact CZ3-CG 4Å; W36-W44 AromaticContact NE1-CD1 3.68Å; W36-W44 AromaticContact NE1-NE1 3.57Å; D40-W44 WeakPolarHBondContact O-CB 3.35Å; D40-W44 VanDerWaalsContact O-CD1 3.23Å; D40-W44 PolarHBondContact O-N 2.82Å; W44-V47 PolarHBondContact O-N 3.21Å; W44-S48 VanDerWaalsContact O-CB 3.26Å; W44-S48 WeakPolarHBondContact O-CB 3.44Å; W44-S48 PolarHBondContact O-N 3.12Å; W44-S48 PolarHBondContact O-OG 2.96Å
45L93Very high90.5Very high0 Ų068.5 Ų68.50%035%0.351CS..Hα-helixtrans-60.7-49.2173.8177.961.6000110.3W23 F27 K41 L42 Q43 V47 S48 L49 Y68 C71 I72 L75W23-L45 HydrophobicContact CH2-CD1 3.77Å; W23-L45 HydrophobicContact CZ3-CD1 4.04Å; F27-L45 HydrophobicContact CE1-CB 4.43Å; F27-L45 HydrophobicContact CE2-CB 4.33Å; F27-L45 HydrophobicContact CZ-CB 3.8Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.2Å; L42-L45 PolarHBondContact O-N 3.26Å; Q43-L45 VanDerWaalsContact C-N 3.28Å; Q43-L45 PolarHBondContact O-N 3.11Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 3Å; L45-S48 PolarHBondContact O-N 2.72Å; L45-L49 HydrophobicContact CD1-CD1 4.1Å; L45-L49 HydrophobicContact CD1-CG 4.38Å; L45-L49 HydrophobicContact CG-CD1 4.26Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.22Å; L45-Y68 HydrophobicContact CD2-CD2 4.14Å; L45-Y68 HydrophobicContact CD2-CE2 4.09Å; L45-C71 HydrophobicContact CD2-CB 4.26Å; L45-I72 HydrophobicContact CD1-CD1 4.15Å; L45-I72 HydrophobicContact CD2-CD1 4.04Å; L45-I72 HydrophobicContact CD2-CG1 4.42Å; L45-L75 HydrophobicContact CD1-CD1 4.17Å; L45-L75 HydrophobicContact CD2-CD1 4.1Å; L45-L75 HydrophobicContact CG-CD1 4.35Å
46A90Very high90.6Very high40 Ų4059 Ų5933%0.33132%0.316SS..Hα-helixtrans-61.5-38.6-18000000113L42 Q43 F57L42-A46 PolarHBondContact O-N 2.92Å; Q43-A46 PolarHBondContact O-N 2.86Å; Q43-A46 VanDerWaalsContact O-N 3.13Å; A46-F57 HydrophobicContact CB-CE1 3.96Å; A46-F57 HydrophobicContact CB-CE2 4.29Å; A46-F57 HydrophobicContact CB-CZ 3.7Å
47V91.6Very high90.7Very high111 Ų11159.5 Ų59.567%0.67332%0.319SS*.Hα-helixtrans-79.3-22.2179.8-157.40000112.8Q43 W44 L45Q43-V47 VanDerWaalsContact O-CG2 3.24Å; Q43-V47 WeakPolarHBondContact O-CG2 3.28Å; Q43-V47 PolarHBondContact O-N 3.17Å; Q43-V47 VanDerWaalsContact O-N 3.13Å; W44-V47 PolarHBondContact O-N 3.21Å; L45-V47 VanDerWaalsContact C-N 3.34Å; L45-V47 PolarHBondContact O-N 3Å
48S92.6Very high90.7Very high5 Ų557.8 Ų57.84%0.03532%0.316CS..Hα-helixtrans-86.5-9.7-178.3-520000113.4P11 T13 Y14 W44 L45P11-S48 WeakPolarHBondContact CG-OG 3.42Å; T13-S48 CarbonylContact C-O 3.56Å; T13-S48 WeakPolarHBondContact CA-O 3.26Å; Y14-S48 PolarHBondContact N-O 2.82Å; W44-S48 VanDerWaalsContact O-CB 3.26Å; W44-S48 WeakPolarHBondContact O-CB 3.44Å; W44-S48 PolarHBondContact O-N 3.12Å; W44-S48 PolarHBondContact O-OG 2.96Å; L45-S48 PolarHBondContact O-N 2.72Å
49L93.2Very high90.9Very high10 Ų1058.3 Ų58.35%0.05232%0.319CS..BIsolated β-bridgetrans-92.8130177.7-60.9168.3000110.2Y14 W20 W23 L45 A53 F57 L75Y14-L49 HydrophobicContact CD1-CD2 4.13Å; W20-L49 HydrophobicContact CH2-CD2 4.49Å; W20-L49 HydrophobicContact CZ3-CD2 4.07Å; W23-L49 HydrophobicContact CH2-CD2 3.76Å; W23-L49 HydrophobicContact CH2-CG 4.44Å; W23-L49 HydrophobicContact CZ2-CD2 4.37Å; W23-L49 HydrophobicContact CZ3-CD2 4.05Å; L45-L49 HydrophobicContact CD1-CD1 4.1Å; L45-L49 HydrophobicContact CD1-CG 4.38Å; L45-L49 HydrophobicContact CG-CD1 4.26Å; L45-L49 VanDerWaalsContact O-CG 3.29Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.22Å; L49-A53 HydrophobicContact CB-CB 4.26Å; L49-A53 HydrophobicContact CD2-CB 3.92Å; L49-F57 HydrophobicContact CD1-CB 3.89Å; L49-F57 HydrophobicContact CD1-CD2 3.82Å; L49-F57 HydrophobicContact CD1-CG 4.11Å; L49-L75 HydrophobicContact CD1-CD1 3.7Å; L49-L75 HydrophobicContact CD1-CD2 4.29Å
50T91.2Very high91Very high51 Ų5152.4 Ų52.431%0.31329%0.291SS..  trans-128.2174.5179.2560000110.1T13 Y14 D15 D52 A53 A54T13-T50 HydrophobicContact CG2-CG2 4.19Å; Y14-T50 PolarHBondContact O-N 3.26Å; Y14-T50 PolarHBondContact O-OG1 3.2Å; D15-T50 WeakPolarHBondContact CA-O 3.49Å; D15-T50 WeakPolarHBondContact CA-OG1 3.34Å; D15-T50 WeakPolarHBondContact CB-OG1 3.11Å; T50-D52 PolarHBondContact O-N 2.78Å; T50-A53 WeakPolarHBondContact O-CA 3.41Å; T50-A53 WeakPolarHBondContact O-CB 3.39Å; T50-A53 PolarHBondContact O-N 2.89Å; T50-A54 PolarHBondContact O-N 3.34Å
51G89.9Confident91Very high54 Ų5453.2 Ų53.256%0.55730%0.298SS*.Hα-helixtrans52.2-133.7174.600000114.4A53 A54 W55G51-A53 PolarHBondContact O-N 2.98Å; G51-A54 PolarHBondContact O-N 3.07Å; G51-W55 PolarHBondContact O-N 2.81Å
52D85.7Confident90.8Very high110 Ų11055.1 Ų55.159%0.58832%0.322SS*.Hα-helixtrans-67.2-24.4179-69.3-16.9000112.5S16 T50 W55 A56S16-D52 WeakPolarHBondContact OG-CB 3.49Å; T50-D52 PolarHBondContact O-N 2.78Å; D52-W55 WeakPolarHBondContact O-CB 3.27Å; D52-W55 PolarHBondContact O-N 3.36Å; D52-A56 PolarHBondContact O-N 2.83Å
53A90Very high90.5Very high0 Ų060 Ų600%034%0.344CS..Hα-helixtrans-70-37.3175.400000112.5Y14 L49 T50 G51 W55 A56 F57 L79Y14-A53 HydrophobicContact CD1-CB 3.7Å; Y14-A53 HydrophobicContact CE1-CB 4.15Å; Y14-A53 WeakPolarHBondContact O-CB 3.48Å; L49-A53 HydrophobicContact CB-CB 4.26Å; L49-A53 HydrophobicContact CD2-CB 3.92Å; T50-A53 WeakPolarHBondContact O-CA 3.41Å; T50-A53 WeakPolarHBondContact O-CB 3.39Å; T50-A53 PolarHBondContact O-N 2.89Å; G51-A53 PolarHBondContact O-N 2.98Å; A53-W55 VanDerWaalsContact C-N 3.34Å; A53-A56 PolarHBondContact O-N 2.82Å; A53-F57 PolarHBondContact O-N 3.08Å; A53-L79 HydrophobicContact CB-CD1 4.34Å; A53-L79 HydrophobicContact CB-CD2 4.18Å
54A91Very high90.4Very high42 Ų4257.8 Ų57.835%0.34733%0.334SS..Hα-helixtrans-65.4-39.2170.500000111.4T50 G51 F57 G58T50-A54 PolarHBondContact O-N 3.34Å; G51-A54 PolarHBondContact O-N 3.07Å; A54-F57 PolarHBondContact O-N 2.79Å; A54-G58 PolarHBondContact O-N 2.77Å
55W91.1Very high90.2Very high160 Ų16058.6 Ų58.661%0.60634%0.337SS*.Hα-helixtrans-60.6-45.9173.517889.7000111.8G51 D52 A53 F57 G58 Q59G51-W55 PolarHBondContact O-N 2.81Å; D52-W55 WeakPolarHBondContact O-CB 3.27Å; D52-W55 PolarHBondContact O-N 3.36Å; A53-W55 VanDerWaalsContact C-N 3.34Å; W55-F57 PolarHBondContact O-N 2.87Å; W55-G58 CarbonylContact O-C 3.56Å; W55-G58 VanDerWaalsContact O-CA 3.3Å; W55-G58 WeakPolarHBondContact O-CA 3.2Å; W55-G58 PolarHBondContact O-N 3.46Å; W55-Q59 HydrophobicContact CD2-CG 4.11Å; W55-Q59 HydrophobicContact CE3-CG 4.12Å; W55-Q59 HydrophobicContact CH2-CG 3.72Å; W55-Q59 HydrophobicContact CZ2-CG 3.71Å; W55-Q59 HydrophobicContact CZ3-CG 3.93Å; W55-Q59 PolarHBondContact O-N 3.24Å
56A90.6Very high89.8Confident1 Ų165.9 Ų65.91%0.00837%0.371CS..Hα-helixtrans-62-42.1177.800000112.2D52 A53 G58 Q59 L75 L78 L79D52-A56 PolarHBondContact O-N 2.83Å; A53-A56 PolarHBondContact O-N 2.82Å; A56-G58 PolarHBondContact O-N 3.33Å; A56-Q59 PolarHBondContact O-N 3.38Å; A56-L75 HydrophobicContact CB-CD2 4.29Å; A56-L78 HydrophobicContact CB-CB 3.99Å; A56-L78 HydrophobicContact CB-CD1 4.24Å; A56-L78 VanDerWaalsContact O-CD1 3.26Å; A56-L78 WeakPolarHBondContact O-CD1 3.42Å; A56-L79 HydrophobicContact CB-CD2 3.66Å; A56-L79 HydrophobicContact CB-CG 3.94Å
57F92.6Very high89.8Confident39 Ų3966.3 Ų66.317%0.17137%0.371CS..Hα-helixtrans-57.1-40.7171.5-175.1-95.2000111.4A46 L49 A53 A54 W55 Q59 L60 R65 C71 L75A46-F57 HydrophobicContact CB-CE1 3.96Å; A46-F57 HydrophobicContact CB-CE2 4.29Å; A46-F57 HydrophobicContact CB-CZ 3.7Å; L49-F57 HydrophobicContact CD1-CB 3.89Å; L49-F57 HydrophobicContact CD1-CD2 3.82Å; L49-F57 HydrophobicContact CD1-CG 4.11Å; A53-F57 PolarHBondContact O-N 3.08Å; A54-F57 PolarHBondContact O-N 2.79Å; W55-F57 PolarHBondContact O-N 2.87Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 2.9Å; F57-L60 HydrophobicContact CD2-CD1 4.13Å; F57-L60 WeakPolarHBondContact O-CB 3.41Å; F57-L60 WeakPolarHBondContact O-CG 3.28Å; F57-L60 PolarHBondContact O-N 3.07Å; F57-R65 PolarHBondContact O-NE 3.34Å; F57-R65 PolarHBondContact O-NH2 2.87Å; F57-C71 VanDerWaalsContact CE2-SG 3.51Å; F57-L75 HydrophobicContact CB-CD2 3.99Å; F57-L75 HydrophobicContact CD2-CD1 4.31Å; F57-L75 HydrophobicContact CD2-CD2 4.35Å
58G90Very high89.9Confident41 Ų4161.4 Ų61.442%0.42334%0.341SS..Hα-helixtrans-57.7-30173.800000115A54 W55 A56 R65A54-G58 PolarHBondContact O-N 2.77Å; W55-G58 CarbonylContact O-C 3.56Å; W55-G58 VanDerWaalsContact O-CA 3.3Å; W55-G58 WeakPolarHBondContact O-CA 3.2Å; W55-G58 PolarHBondContact O-N 3.46Å; A56-G58 PolarHBondContact O-N 3.33Å; G58-R65 PolarHBondContact O-NH2 2.84Å
59Q91.2Very high89.7Confident105 Ų10566.3 Ų66.349%0.49137%0.366SS..Hα-helixtrans-85.1-10.5-179.2-60-50.5-56.600114.4W55 A56 F57 L78W55-Q59 HydrophobicContact CD2-CG 4.11Å; W55-Q59 HydrophobicContact CE3-CG 4.12Å; W55-Q59 HydrophobicContact CH2-CG 3.72Å; W55-Q59 HydrophobicContact CZ2-CG 3.71Å; W55-Q59 HydrophobicContact CZ3-CG 3.93Å; W55-Q59 PolarHBondContact O-N 3.24Å; A56-Q59 PolarHBondContact O-N 3.38Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 2.9Å; Q59-L78 HydrophobicContact CB-CD1 3.93Å
60L91Very high89.6Confident9 Ų967.8 Ų67.85%0.04738%0.378CS..SBendtrans-66.1140178.1-59.9179.7000111.7F57 Q64 R65 C71 L75 L78F57-L60 HydrophobicContact CD2-CD1 4.13Å; F57-L60 WeakPolarHBondContact O-CB 3.41Å; F57-L60 WeakPolarHBondContact O-CG 3.28Å; F57-L60 PolarHBondContact O-N 3.07Å; L60-Q64 HydrophobicContact CB-CB 3.95Å; L60-Q64 HydrophobicContact CD2-CB 4.35Å; L60-R65 HydrophobicContact CB-CG 4.02Å; L60-R65 HydrophobicContact CD1-CG 4.4Å; L60-C71 VanDerWaalsContact CD1-SG 3.6Å; L60-L75 HydrophobicContact CD1-CD2 4.03Å; L60-L75 HydrophobicContact CD1-CG 3.97Å; L60-L78 HydrophobicContact CD2-CD1 3.78Å
61T90.7Very high89.7Confident70 Ų7065.3 Ų65.343%0.42936%0.363SS..  trans-67.1163.4173.266.90000111.4E63 Q64 R65T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.08Å; T61-Q64 WeakPolarHBondContact O-CB 2.86Å; T61-Q64 PolarHBondContact O-N 2.89Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.07Å; T61-Q64 PolarHBondContact OG1-N 3.25Å; T61-R65 PolarHBondContact O-N 3.31Å
62A87.7Confident89.8Confident83 Ų8362.9 Ų62.969%0.68634%0.337SS*.THydrogen-bonded Turntrans-55.1-44.4174.600000111.5Q64 R65A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 2.8Å; A62-R65 PolarHBondContact O-N 3.26Å
63E85.3Confident90Very high141 Ų14162 Ų6266%0.65934%0.335SS*.G310 helixtrans-59-36.6175.4-62.7171.1-179.300112.6T61 R65 E66 S70T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.08Å; E63-R65 PolarHBondContact O-N 3.49Å; E63-E66 PolarHBondContact O-N 3.42Å; E63-S70 PolarHBondContact O-OG 2.93Å
64Q87.5Confident90Very high61 Ų6162.1 Ų62.129%0.28534%0.336SS..G310 helixtrans-71.6-17.5177.1-75.5175.7-40.100113.2L60 T61 A62 S70 C71L60-Q64 HydrophobicContact CB-CB 3.95Å; L60-Q64 HydrophobicContact CD2-CB 4.35Å; T61-Q64 WeakPolarHBondContact O-CB 2.86Å; T61-Q64 PolarHBondContact O-N 2.89Å; T61-Q64 WeakPolarHBondContact OG1-CG 3.07Å; T61-Q64 PolarHBondContact OG1-N 3.25Å; A62-Q64 VanDerWaalsContact C-N 3.29Å; A62-Q64 PolarHBondContact O-N 2.8Å; Q64-S70 WeakPolarHBondContact CA-OG 3.34Å; Q64-S70 CarbonylContact O-C 3.55Å; Q64-S70 VanDerWaalsContact O-C 3.3Å; Q64-C71 WeakPolarHBondContact O-CA 3.38Å; Q64-C71 WeakPolarHBondContact O-CB 3.41Å; Q64-C71 PolarHBondContact O-N 3.17Å
65R87.7Confident90Very high98 Ų9860.1 Ų60.137%0.3732%0.32SS..G310 helixtrans-99.23179.6-65.6-171.9-172.215110.9114.1F57 G58 L60 T61 A62 E63F57-R65 PolarHBondContact O-NE 3.34Å; F57-R65 PolarHBondContact O-NH2 2.87Å; G58-R65 PolarHBondContact O-NH2 2.84Å; L60-R65 HydrophobicContact CB-CG 4.02Å; L60-R65 HydrophobicContact CD1-CG 4.4Å; T61-R65 PolarHBondContact O-N 3.31Å; A62-R65 PolarHBondContact O-N 3.26Å; E63-R65 PolarHBondContact O-N 3.49Å
66E85.9Confident89.9Confident153 Ų15354.6 Ų54.672%0.71530%0.304SS*.SBendtrans-74.1-29.8-177-70.7-178.9176.900114E63E63-E66 PolarHBondContact O-N 3.42Å
67S90.4Very high89.6Confident49 Ų4959.5 Ų59.534%0.34333%0.334SS..SBendtrans-138.9154-179.473.70000111.6D69 S70 C71S67-D69 VanDerWaalsContact C-N 3.28Å; S67-D69 PolarHBondContact O-N 3.43Å; S67-S70 PolarHBondContact O-N 3.48Å; S67-S70 VanDerWaalsContact OG-CB 3.25Å; S67-S70 WeakPolarHBondContact OG-CB 3.19Å; S67-S70 PolarHBondContact OG-N 2.81Å; S67-C71 VanDerWaalsContact O-CB 3.3Å; S67-C71 WeakPolarHBondContact O-CB 3.28Å; S67-C71 PolarHBondContact O-N 2.82Å
68Y92.3Very high89.3Confident8 Ų861.5 Ų61.53%0.03135%0.346CS..Hα-helixtrans-56.7-44177.9178.9-103.6000111.5F27 E38 K41 L45 C71 I72F27-Y68 HydrophobicContact CD1-CE2 4.22Å; F27-Y68 WeakPolarHBondContact CD1-OH 3.23Å; F27-Y68 AromaticContact CE1-CE2 3.62Å; F27-Y68 HydrophobicContact CE1-CE2 3.62Å; E38-Y68 VanDerWaalsContact OE2-CB 3.28Å; E38-Y68 WeakPolarHBondContact OE2-CB 3.34Å; K41-Y68 HydrophobicContact CB-CD2 3.71Å; K41-Y68 HydrophobicContact CB-CE2 4.21Å; K41-Y68 HydrophobicContact CB-CG 4.18Å; K41-Y68 HydrophobicContact CD-CD1 4.16Å; K41-Y68 HydrophobicContact CD-CD2 4.19Å; K41-Y68 HydrophobicContact CD-CE1 4.49Å; K41-Y68 HydrophobicContact CD-CG 3.98Å; L45-Y68 HydrophobicContact CD2-CD2 4.14Å; L45-Y68 HydrophobicContact CD2-CE2 4.09Å; Y68-C71 PolarHBondContact O-N 2.85Å; Y68-I72 HydrophobicContact CD1-CG1 4.22Å; Y68-I72 HydrophobicContact CD2-CG1 4.17Å; Y68-I72 HydrophobicContact CE1-CG1 3.84Å; Y68-I72 HydrophobicContact CE2-CD1 3.94Å; Y68-I72 HydrophobicContact CE2-CG1 3.77Å; Y68-I72 HydrophobicContact CG-CG1 4.38Å; Y68-I72 WeakPolarHBondContact O-CB 3.49Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.25Å; Y68-I72 PolarHBondContact O-N 3.23Å
69D89.9Confident89Confident107 Ų10760.9 Ų60.957%0.57233%0.333SS*.Hα-helixtrans-65.1-41.8-180-79.3-11.4000113S67 C71 T73S67-D69 VanDerWaalsContact C-N 3.28Å; S67-D69 PolarHBondContact O-N 3.43Å; D69-C71 VanDerWaalsContact C-N 3.33Å; D69-T73 WeakPolarHBondContact O-CB 3.44Å; D69-T73 PolarHBondContact O-N 3.32Å; D69-T73 PolarHBondContact O-OG1 2.86Å
70S90.5Very high88.2Confident41 Ų4158.3 Ų58.329%0.28732%0.324SS..Hα-helixtrans-64.4-41.8176.2-165.90000110.7E63 Q64 S67 T73 G74E63-S70 PolarHBondContact O-OG 2.93Å; Q64-S70 WeakPolarHBondContact CA-OG 3.34Å; Q64-S70 CarbonylContact O-C 3.55Å; Q64-S70 VanDerWaalsContact O-C 3.3Å; S67-S70 PolarHBondContact O-N 3.48Å; S67-S70 VanDerWaalsContact OG-CB 3.25Å; S67-S70 WeakPolarHBondContact OG-CB 3.19Å; S67-S70 PolarHBondContact OG-N 2.81Å; S70-T73 PolarHBondContact O-N 3.19Å; S70-G74 PolarHBondContact O-N 3.34Å
71C92.1Very high87.1Confident0 Ų061.7 Ų61.70%035%0.347CS..Hα-helixtrans-66.5-46.9-179.5-167.80000111.6L42 L45 F57 L60 Q64 S67 Y68 D69 T73 G74 L75L42-C71 HydrophobicContact CD2-CB 4Å; L45-C71 HydrophobicContact CD2-CB 4.26Å; F57-C71 VanDerWaalsContact CE2-SG 3.51Å; L60-C71 VanDerWaalsContact CD1-SG 3.6Å; Q64-C71 WeakPolarHBondContact O-CA 3.38Å; Q64-C71 WeakPolarHBondContact O-CB 3.41Å; Q64-C71 PolarHBondContact O-N 3.17Å; S67-C71 VanDerWaalsContact O-CB 3.3Å; S67-C71 WeakPolarHBondContact O-CB 3.28Å; S67-C71 PolarHBondContact O-N 2.82Å; Y68-C71 PolarHBondContact O-N 2.85Å; D69-C71 VanDerWaalsContact C-N 3.33Å; C71-T73 VanDerWaalsContact C-N 3.31Å; C71-T73 PolarHBondContact O-N 3.36Å; C71-G74 PolarHBondContact O-N 2.72Å; C71-L75 WeakPolarHBondContact O-CB 3.46Å; C71-L75 WeakPolarHBondContact O-CG 3.32Å; C71-L75 PolarHBondContact O-N 3.32Å
72I92.7Very high85.7Confident2 Ų264 Ų641%0.0136%0.363CS..Hα-helixtrans-63.5-36.9175.9-69.5-67.8000111.7W20 L45 Y68 T76W20-I72 HydrophobicContact CH2-CD1 4.43Å; W20-I72 HydrophobicContact CZ2-CD1 4.2Å; L45-I72 HydrophobicContact CD1-CD1 4.15Å; L45-I72 HydrophobicContact CD2-CD1 4.04Å; L45-I72 HydrophobicContact CD2-CG1 4.42Å; Y68-I72 HydrophobicContact CD1-CG1 4.22Å; Y68-I72 HydrophobicContact CD2-CG1 4.17Å; Y68-I72 HydrophobicContact CE1-CG1 3.84Å; Y68-I72 HydrophobicContact CE2-CD1 3.94Å; Y68-I72 HydrophobicContact CE2-CG1 3.77Å; Y68-I72 HydrophobicContact CG-CG1 4.38Å; Y68-I72 WeakPolarHBondContact O-CB 3.49Å; Y68-I72 VanDerWaalsContact O-CG1 3.29Å; Y68-I72 WeakPolarHBondContact O-CG1 3.25Å; Y68-I72 PolarHBondContact O-N 3.23Å; I72-T76 VanDerWaalsContact O-CB 3.25Å; I72-T76 WeakPolarHBondContact O-CB 3.35Å; I72-T76 PolarHBondContact O-N 3.13Å; I72-T76 PolarHBondContact O-OG1 3.27Å
73T89.3Confident84.7Confident92 Ų9264.7 Ų64.756%0.56436%0.355SS*.Hα-helixtrans-64.6-45.5175.8-59.50000111.3D69 S70 C71 T76 T77D69-T73 WeakPolarHBondContact O-CB 3.44Å; D69-T73 PolarHBondContact O-N 3.32Å; D69-T73 PolarHBondContact O-OG1 2.86Å; S70-T73 PolarHBondContact O-N 3.19Å; C71-T73 VanDerWaalsContact C-N 3.31Å; C71-T73 PolarHBondContact O-N 3.36Å; T73-T76 PolarHBondContact O-N 3.17Å; T73-T77 PolarHBondContact O-N 3.21Å; T73-T77 VanDerWaalsContact O-N 3.12Å; T73-T77 PolarHBondContact O-OG1 2.84Å
74G90.1Very high84Confident2 Ų260 Ų602%0.02134%0.336CS..Hα-helixtrans-62.7-48.217500000112.7S70 C71 T76 T77 L78S70-G74 PolarHBondContact O-N 3.34Å; C71-G74 PolarHBondContact O-N 2.72Å; G74-T76 PolarHBondContact O-N 3.13Å; G74-T77 WeakPolarHBondContact O-CB 3.2Å; G74-T77 PolarHBondContact O-N 3.22Å; G74-T77 VanDerWaalsContact O-N 3.16Å; G74-L78 PolarHBondContact O-N 3Å; G74-L78 VanDerWaalsContact O-N 3.13Å
75L91.4Very high83.1Confident0 Ų063.1 Ų63.10%035%0.351CS..Hα-helixtrans-60.5-43.5176.7-74176.1000112W20 L45 L49 A56 F57 L60 C71 T77 L78 L79W20-L75 HydrophobicContact CH2-CB 3.79Å; W20-L75 HydrophobicContact CH2-CD1 3.77Å; W20-L75 HydrophobicContact CH2-CG 4.37Å; W20-L75 HydrophobicContact CZ2-CB 3.66Å; W20-L75 HydrophobicContact CZ2-CD1 4.33Å; L45-L75 HydrophobicContact CD1-CD1 4.17Å; L45-L75 HydrophobicContact CD2-CD1 4.1Å; L45-L75 HydrophobicContact CG-CD1 4.35Å; L49-L75 HydrophobicContact CD1-CD1 3.7Å; L49-L75 HydrophobicContact CD1-CD2 4.29Å; A56-L75 HydrophobicContact CB-CD2 4.29Å; F57-L75 HydrophobicContact CB-CD2 3.99Å; F57-L75 HydrophobicContact CD2-CD1 4.31Å; F57-L75 HydrophobicContact CD2-CD2 4.35Å; L60-L75 HydrophobicContact CD1-CD2 4.03Å; L60-L75 HydrophobicContact CD1-CG 3.97Å; C71-L75 WeakPolarHBondContact O-CB 3.46Å; C71-L75 WeakPolarHBondContact O-CG 3.32Å; C71-L75 PolarHBondContact O-N 3.32Å; L75-T77 PolarHBondContact O-N 2.7Å; L75-L78 PolarHBondContact O-N 3.17Å; L75-L78 VanDerWaalsContact O-N 3.15Å; L75-L79 HydrophobicContact CB-CD1 4.13Å; L75-L79 HydrophobicContact CD2-CD1 4.21Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.2Å
76T88.9Confident82.4Confident45 Ų4563.9 Ų63.928%0.27636%0.358SS..Hα-helixtrans-60.7-38177.5-580000110.9W20 I72 T73 G74 L78 V80W20-T76 PolarHBondContact NE1-OG1 3.36Å; I72-T76 VanDerWaalsContact O-CB 3.25Å; I72-T76 WeakPolarHBondContact O-CB 3.35Å; I72-T76 PolarHBondContact O-N 3.13Å; I72-T76 PolarHBondContact O-OG1 3.27Å; T73-T76 PolarHBondContact O-N 3.17Å; G74-T76 PolarHBondContact O-N 3.13Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.35Å; T76-V80 HydrophobicContact CG2-CB 4.46Å; T76-V80 HydrophobicContact CG2-CG2 4.05Å; T76-V80 VanDerWaalsContact O-CB 3.26Å; T76-V80 WeakPolarHBondContact O-CB 3.36Å; T76-V80 PolarHBondContact O-N 3.13Å
77T85Confident82Confident103 Ų10361.4 Ų61.463%0.63235%0.349SS*.Hα-helixtrans-67-34177.8-55.40000112.6T73 G74 L75T73-T77 PolarHBondContact O-N 3.21Å; T73-T77 VanDerWaalsContact O-N 3.12Å; T73-T77 PolarHBondContact O-OG1 2.84Å; G74-T77 WeakPolarHBondContact O-CB 3.2Å; G74-T77 PolarHBondContact O-N 3.22Å; G74-T77 VanDerWaalsContact O-N 3.16Å; L75-T77 PolarHBondContact O-N 2.7Å
78L85.5Confident81.6Confident82 Ų8260.1 Ų60.143%0.42934%0.339SS..Hα-helixtrans-87.5-35.9-179-67.8173.4000113.3A56 Q59 L60 G74 L75 T76A56-L78 HydrophobicContact CB-CB 3.99Å; A56-L78 HydrophobicContact CB-CD1 4.24Å; A56-L78 VanDerWaalsContact O-CD1 3.26Å; A56-L78 WeakPolarHBondContact O-CD1 3.42Å; Q59-L78 HydrophobicContact CB-CD1 3.93Å; L60-L78 HydrophobicContact CD2-CD1 3.78Å; G74-L78 PolarHBondContact O-N 3Å; G74-L78 VanDerWaalsContact O-N 3.13Å; L75-L78 PolarHBondContact O-N 3.17Å; L75-L78 VanDerWaalsContact O-N 3.15Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.35Å
79L84.8Confident81.3Confident28 Ų2861 Ų6115%0.14735%0.345CS..Hα-helixtrans-92.1-23.6-173.5-65.5169.9000113.7Y14 W20 A53 A56 L75 P81Y14-L79 HydrophobicContact CE1-CD1 4.19Å; W20-L79 HydrophobicContact CD2-CD1 4.25Å; W20-L79 HydrophobicContact CE3-CD1 3.77Å; W20-L79 HydrophobicContact CH2-CD1 3.83Å; W20-L79 HydrophobicContact CZ2-CD1 4.3Å; W20-L79 HydrophobicContact CZ3-CD1 3.53Å; A53-L79 HydrophobicContact CB-CD1 4.34Å; A53-L79 HydrophobicContact CB-CD2 4.18Å; A56-L79 HydrophobicContact CB-CD2 3.66Å; A56-L79 HydrophobicContact CB-CG 3.94Å; L75-L79 HydrophobicContact CB-CD1 4.13Å; L75-L79 HydrophobicContact CD2-CD1 4.21Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 3.2Å; L79-P81 WeakPolarHBondContact O-CD 3.19Å
80V74.8Confident81Confident50 Ų5059.6 Ų59.630%0.30334%0.34SS..SBendtrans-106.2107.1178.2-172.90000108.7W20 T76 V84W20-V80 HydrophobicContact CB-CG2 4.15Å; W20-V80 HydrophobicContact CG-CG2 4.05Å; T76-V80 HydrophobicContact CG2-CB 4.46Å; T76-V80 HydrophobicContact CG2-CG2 4.05Å; T76-V80 VanDerWaalsContact O-CB 3.26Å; T76-V80 WeakPolarHBondContact O-CB 3.36Å; T76-V80 PolarHBondContact O-N 3.13Å; V80-V84 HydrophobicContact CG1-CB 4.22Å; V80-V84 HydrophobicContact CG1-CG2 4.1Å
81P67.2Low80.8Confident80 Ų8061.3 Ų61.352%0.51935%0.346SS..  trans-53.7140.8177.6-22.123.8000112L79 N83 V84L79-P81 WeakPolarHBondContact O-CD 3.19Å; P81-N83 PolarHBondContact O-N 3.31Å; P81-V84 HydrophobicContact CB-CG2 3.79Å; P81-V84 HydrophobicContact CG-CG2 3.83Å; P81-V84 VanDerWaalsContact O-CG2 3.25Å; P81-V84 WeakPolarHBondContact O-CG2 3.33Å; P81-V84 PolarHBondContact O-N 3.47Å
82P61.8Low80.8Confident119 Ų11961.7 Ų61.777%0.77335%0.347SS*.THydrogen-bonded Turntrans-57.1131.817022.2-30.1000109.2
83N66.3Low80.7Confident97 Ų9768.9 Ų68.952%0.51938%0.375SS..THydrogen-bonded Turntrans80.915-178.1-48.2-43.2000118.1P81 E85 Q86 L87P81-N83 PolarHBondContact O-N 3.31Å; N83-E85 PolarHBondContact O-N 2.83Å; N83-Q86 HydrophobicContact CB-CB 4.38Å; N83-Q86 PolarHBondContact O-N 3.05Å; N83-L87 PolarHBondContact O-N 3.41Å
84V70.7Confident80.6Confident42 Ų4268.6 Ų68.626%0.25537%0.373SS..Hα-helixtrans-54.9-37.2174.21680000112.9V80 P81 Q86 L87 N88V80-V84 HydrophobicContact CG1-CB 4.22Å; V80-V84 HydrophobicContact CG1-CG2 4.1Å; P81-V84 HydrophobicContact CB-CG2 3.79Å; P81-V84 HydrophobicContact CG-CG2 3.83Å; P81-V84 VanDerWaalsContact O-CG2 3.25Å; P81-V84 WeakPolarHBondContact O-CG2 3.33Å; P81-V84 PolarHBondContact O-N 3.47Å; V84-Q86 PolarHBondContact O-N 3.44Å; V84-L87 WeakPolarHBondContact O-CB 3.4Å; V84-L87 PolarHBondContact O-N 3.32Å; V84-N88 WeakPolarHBondContact CG1-ND2 3.31Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 VanDerWaalsContact O-CG 3.32Å; V84-N88 PolarHBondContact O-N 2.85Å; V84-N88 PolarHBondContact O-ND2 3.44Å
85E68.1Low80.7Confident128 Ų12870.9 Ų70.960%0.59838%0.381SS*.Hα-helixtrans-61.5-44.7175.8-66.5-173164.600112N83 L87 N88 V89N83-E85 PolarHBondContact O-N 2.83Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3Å; E85-N88 PolarHBondContact O-N 3.09Å; E85-V89 VanDerWaalsContact O-CG2 3.3Å; E85-V89 WeakPolarHBondContact O-CG2 3.44Å; E85-V89 PolarHBondContact O-N 3.29Å
86Q73.3Confident80.6Confident114 Ų11478.6 Ų78.653%0.53341%0.41SS..Hα-helixtrans-66-36.6176.9-68.9179.80.500111.8N83 V84 V89 T90N83-Q86 HydrophobicContact CB-CB 4.38Å; N83-Q86 PolarHBondContact O-N 3.05Å; V84-Q86 PolarHBondContact O-N 3.44Å; Q86-V89 PolarHBondContact O-N 3.36Å; Q86-T90 WeakPolarHBondContact O-CB 3.44Å; Q86-T90 PolarHBondContact O-N 2.9Å; Q86-T90 PolarHBondContact O-OG1 2.86Å
87L76.1Confident80.6Confident100 Ų10078.9 Ų78.952%0.52441%0.407SS..Hα-helixtrans-62.5-47.3172.7-177.665.7000110.7N83 V84 E85 V89 T90 L91N83-L87 PolarHBondContact O-N 3.41Å; V84-L87 WeakPolarHBondContact O-CB 3.4Å; V84-L87 PolarHBondContact O-N 3.32Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3Å; L87-V89 PolarHBondContact O-N 2.91Å; L87-T90 CarbonylContact O-C 3.5Å; L87-T90 WeakPolarHBondContact O-CB 3.47Å; L87-T90 PolarHBondContact O-N 3.15Å; L87-T90 VanDerWaalsContact O-N 3.12Å; L87-L91 HydrophobicContact CD1-CG 4.48Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 3.37Å; L87-L91 PolarHBondContact O-N 3.2Å
88N83.7Confident80.6Confident22 Ų2277.2 Ų77.212%0.11840%0.397CS..Hα-helixtrans-63.4-40.1178-72.6-36.6000112.2V84 E85 T90 L91 F92 R116 A117V84-N88 WeakPolarHBondContact CG1-ND2 3.31Å; V84-N88 WeakPolarHBondContact O-CB 3.28Å; V84-N88 VanDerWaalsContact O-CG 3.32Å; V84-N88 PolarHBondContact O-N 2.85Å; V84-N88 PolarHBondContact O-ND2 3.44Å; E85-N88 PolarHBondContact O-N 3.09Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-T90 PolarHBondContact O-N 3.47Å; N88-L91 PolarHBondContact O-N 3.16Å; N88-F92 WeakPolarHBondContact O-CB 3.35Å; N88-F92 PolarHBondContact O-N 2.88Å; N88-R116 HydrophobicContact CB-CB 4.13Å; N88-R116 PolarHBondContact ND2-O 3.2Å; N88-A117 HydrophobicContact CB-CB 4.21Å
89V85.4Confident80.3Confident27 Ų2782.4 Ų82.416%0.16442%0.416CS..Hα-helixtrans-60-42.6172.2170.60000110.9E85 Q86 L87 R93 A117 Y118E85-V89 VanDerWaalsContact O-CG2 3.3Å; E85-V89 WeakPolarHBondContact O-CG2 3.44Å; E85-V89 PolarHBondContact O-N 3.29Å; Q86-V89 PolarHBondContact O-N 3.36Å; L87-V89 PolarHBondContact O-N 2.91Å; V89-R93 WeakPolarHBondContact O-CB 2.89Å; V89-R93 VanDerWaalsContact O-CG 3.28Å; V89-R93 WeakPolarHBondContact O-CG 3.4Å; V89-R93 PolarHBondContact O-N 3.35Å; V89-A117 HydrophobicContact CB-CB 4.5Å; V89-A117 HydrophobicContact CG2-CB 3.98Å; V89-A117 WeakPolarHBondContact CG2-O 3.49Å; V89-Y118 HydrophobicContact CG2-CD1 4.48Å; V89-Y118 HydrophobicContact CG2-CE1 3.96Å
90T82.6Confident80.1Confident78 Ų7889 Ų8948%0.47945%0.446SS..Hα-helixtrans-66-46.2177.3-57.40000111.3Q86 L87 N88 F92 R93 T94Q86-T90 WeakPolarHBondContact O-CB 3.44Å; Q86-T90 PolarHBondContact O-N 2.9Å; Q86-T90 PolarHBondContact O-OG1 2.86Å; L87-T90 CarbonylContact O-C 3.5Å; L87-T90 WeakPolarHBondContact O-CB 3.47Å; L87-T90 PolarHBondContact O-N 3.15Å; L87-T90 VanDerWaalsContact O-N 3.12Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-T90 PolarHBondContact O-N 3.47Å; T90-F92 PolarHBondContact O-N 3.02Å; T90-R93 PolarHBondContact O-N 3.49Å; T90-T94 HydrophobicContact CG2-CG2 4.32Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 WeakPolarHBondContact O-CG2 3.48Å; T90-T94 PolarHBondContact O-N 3.49Å; T90-T94 PolarHBondContact O-OG1 3.33Å
91L86.2Confident80.7Confident76 Ų7687.5 Ų87.540%0.39844%0.436SS..Hα-helixtrans-60.6-45.1176.5-70.5173.2000111.6L87 N88 T94 R95 L113L87-L91 HydrophobicContact CD1-CG 4.48Å; L87-L91 HydrophobicContact CG-CD1 4.11Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 3.37Å; L87-L91 PolarHBondContact O-N 3.2Å; N88-L91 PolarHBondContact O-N 3.16Å; L91-T94 PolarHBondContact O-N 2.83Å; L91-T94 PolarHBondContact O-OG1 2.75Å; L91-R95 WeakPolarHBondContact O-CB 3.3Å; L91-R95 PolarHBondContact O-N 2.84Å; L91-L113 HydrophobicContact CB-CD2 3.94Å
92F93.1Very high81.7Confident8 Ų887.6 Ų87.64%0.03543%0.432CS..Hα-helixtrans-59.8-47.7175.4175-100.7000112.1N88 T90 T94 L110 L113 A114 A117 Y118 L129 R133N88-F92 WeakPolarHBondContact O-CB 3.35Å; N88-F92 PolarHBondContact O-N 2.88Å; T90-F92 PolarHBondContact O-N 3.02Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 2.98Å; F92-L110 HydrophobicContact CD2-CD2 4.49Å; F92-L110 HydrophobicContact CE2-CD2 4.34Å; F92-L113 HydrophobicContact CB-CB 4.07Å; F92-L113 HydrophobicContact CD2-CB 3.93Å; F92-A114 HydrophobicContact CD2-CB 3.95Å; F92-A114 HydrophobicContact CE2-CB 3.62Å; F92-A114 HydrophobicContact CZ-CB 4.28Å; F92-A117 HydrophobicContact CB-CB 3.92Å; F92-A117 HydrophobicContact CG-CB 4.41Å; F92-Y118 AromaticContact CD1-CE2 3.7Å; F92-Y118 HydrophobicContact CD1-CE2 3.7Å; F92-Y118 AromaticContact CE1-CE2 3.91Å; F92-Y118 HydrophobicContact CE1-CE2 3.91Å; F92-Y118 HydrophobicContact CG-CE2 4.36Å; F92-L129 HydrophobicContact CE1-CB 4.24Å; F92-L129 HydrophobicContact CZ-CB 3.89Å; F92-R133 HydrophobicContact CE2-CB 4.5Å; F92-R133 HydrophobicContact CZ-CB 4.04Å; F92-R133 HydrophobicContact CZ-CG 4.47Å
93R89.5Confident83.1Confident154 Ų15483 Ų8358%0.58140%0.399SS*.Hα-helixtrans-68.9-28.4-178.7-73.9178180-179.71.4113.4V89 T90 R133V89-R93 WeakPolarHBondContact O-CB 2.89Å; V89-R93 VanDerWaalsContact O-CG 3.28Å; V89-R93 WeakPolarHBondContact O-CG 3.4Å; V89-R93 PolarHBondContact O-N 3.35Å; T90-R93 PolarHBondContact O-N 3.49Å; R93-R133 PolarHBondContact O-NE 3.27Å; R93-R133 PolarHBondContact O-NH1 3.07Å
94T88Confident84.3Confident85 Ų8583 Ų8352%0.52140%0.395SS..Hα-helixtrans-98.4-8.7-176.4570000113.6T90 L91 F92 R96T90-T94 HydrophobicContact CG2-CG2 4.32Å; T90-T94 WeakPolarHBondContact O-CB 3.45Å; T90-T94 WeakPolarHBondContact O-CG2 3.48Å; T90-T94 PolarHBondContact O-N 3.49Å; T90-T94 PolarHBondContact O-OG1 3.33Å; L91-T94 PolarHBondContact O-N 2.83Å; L91-T94 PolarHBondContact O-OG1 2.75Å; F92-T94 VanDerWaalsContact C-N 3.32Å; F92-T94 PolarHBondContact O-N 2.98Å; T94-R96 WeakPolarHBondContact O-CG 3.5Å; T94-R96 PolarHBondContact O-N 3.05Å
95R91.8Very high85.1Confident50 Ų5082.5 Ų82.519%0.18939%0.392CS..  trans-57.8121.8179.8-171.553.1166.586.66.5111.7L91 E101 F106 L110 L113 R133L91-R95 WeakPolarHBondContact O-CB 3.3Å; L91-R95 PolarHBondContact O-N 2.84Å; R95-E101 IonicContact CZ-OE1 2.73Å; R95-E101 IonicContact CZ-OE2 3.29Å; R95-E101 IonicContact NH1-OE1 2.62Å; R95-E101 IonicContact NH1-OE2 3.14Å; R95-E101 PolarHBondContact NH1-OE2 2.82Å; R95-E101 IonicContact NH2-OE1 3.24Å; R95-E101 PolarHBondContact NH2-OE1 3.45Å; R95-E101 IonicContact NH2-OE2 3.91Å; R95-E101 PolarHBondContact NH2-OE2 3.05Å; R95-F106 HydrophobicContact CG-CE2 3.95Å; R95-L110 HydrophobicContact CB-CD2 3.92Å; R95-L110 HydrophobicContact CG-CD2 3.88Å; R95-L113 HydrophobicContact CB-CD1 3.92Å; R95-L113 HydrophobicContact CG-CD1 3.82Å; R95-R133 PolarHBondContact O-NE 3.43Å; R95-R133 PolarHBondContact O-NH2 3.09Å
96R89.8Confident86.3Confident162 Ų16276.4 Ų76.461%0.61136%0.364SS*.  trans-118.6145.3174.8-51.5-59.6-83.1-91.9-5.9109T94 R133 E137T94-R96 WeakPolarHBondContact O-CG 3.5Å; T94-R96 PolarHBondContact O-N 3.05Å; R96-R133 VanDerWaalsContact CD-NH2 3.29Å; R96-E137 WeakPolarHBondContact CA-OE1 3.2Å; R96-E137 WeakPolarHBondContact CB-OE1 3.16Å; R96-E137 WeakPolarHBondContact CD-OE2 3.25Å; R96-E137 IonicContact CZ-OE2 3.46Å; R96-E137 IonicContact NE-OE1 2.67Å; R96-E137 IonicContact NE-OE2 2.75Å; R96-E137 PolarHBondContact NE-OE2 2.88Å
97K89.4Confident87.2Confident51 Ų5171.1 Ų71.122%0.22234%0.339CS..  trans-66.9131179179.8-179.9172.2-62.50109.1E101 W103 F106 E137K97-E101 WeakPolarHBondContact CE-O 3.31Å; K97-E101 HydrophobicContact CG-CB 4.47Å; K97-E101 HydrophobicContact CG-CG 4.44Å; K97-E101 PolarHBondContact NZ-O 2.81Å; K97-W103 HydrophobicContact CD-CD2 3.94Å; K97-W103 HydrophobicContact CD-CE3 3.6Å; K97-W103 HydrophobicContact CD-CH2 3.7Å; K97-W103 HydrophobicContact CD-CZ2 4.03Å; K97-W103 HydrophobicContact CD-CZ3 3.49Å; K97-W103 VanDerWaalsContact CD-CZ3 3.49Å; K97-F106 HydrophobicContact CB-CB 4.4Å; K97-F106 HydrophobicContact CB-CD1 4.23Å; K97-F106 HydrophobicContact CB-CD2 3.69Å; K97-F106 HydrophobicContact CB-CE1 4.45Å; K97-F106 HydrophobicContact CB-CE2 3.92Å; K97-F106 HydrophobicContact CB-CG 3.85Å; K97-F106 HydrophobicContact CB-CZ 4.32Å; K97-F106 HydrophobicContact CD-CB 4.37Å; K97-F106 HydrophobicContact CD-CG 4.48Å; K97-F106 HydrophobicContact CG-CB 4.1Å; K97-F106 HydrophobicContact CG-CD2 4.25Å; K97-F106 HydrophobicContact CG-CG 4.1Å; K97-F106 VanDerWaalsContact N-CE2 3.33Å; K97-E137 HydrophobicContact CB-CG 3.91Å; K97-E137 PolarHBondContact N-OE1 2.62Å
98T85.1Confident87.9Confident69 Ų6971.9 Ų71.942%0.42334%0.335SS..  trans-75.8167.9175.1680000110.6E100 E101T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.32Å; T98-E101 PolarHBondContact N-OE2 3.32Å; T98-E101 WeakPolarHBondContact OG1-CB 3.4Å; T98-E101 PolarHBondContact OG1-N 3.23Å
99K78.5Confident88.2Confident190 Ų19073.1 Ų73.183%0.82634%0.34SS*.SBendtrans-68.2-32.4-178.5-73.4180-178.4171.50111.9
100E81.5Confident88.5Confident166 Ų16671.9 Ų71.978%0.77633%0.333SS*.SBendtrans-91-18-175-55.474.8-158.400113.2T98T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact O-N 3.32Å
101E86.7Confident88.8Confident19 Ų1970 Ų709%0.08932%0.323CS..  trans-78.2137.4179.6173.8173.8-130.700111.4R95 K97 T98 T105 F106R95-E101 IonicContact CZ-OE1 2.73Å; R95-E101 IonicContact CZ-OE2 3.29Å; R95-E101 IonicContact NH1-OE1 2.62Å; R95-E101 IonicContact NH1-OE2 3.14Å; R95-E101 PolarHBondContact NH1-OE2 2.82Å; R95-E101 IonicContact NH2-OE1 3.24Å; R95-E101 PolarHBondContact NH2-OE1 3.45Å; R95-E101 IonicContact NH2-OE2 3.91Å; R95-E101 PolarHBondContact NH2-OE2 3.05Å; K97-E101 WeakPolarHBondContact CE-O 3.31Å; K97-E101 HydrophobicContact CG-CB 4.47Å; K97-E101 HydrophobicContact CG-CG 4.44Å; K97-E101 PolarHBondContact NZ-O 2.81Å; T98-E101 PolarHBondContact N-OE2 3.32Å; T98-E101 WeakPolarHBondContact OG1-CB 3.4Å; T98-E101 PolarHBondContact OG1-N 3.23Å; E101-T105 HydrophobicContact CG-CG2 3.81Å; E101-F106 VanDerWaalsContact CD-CA 3.49Å; E101-F106 HydrophobicContact CG-CB 4Å; E101-F106 VanDerWaalsContact OE1-CA 3.26Å; E101-F106 WeakPolarHBondContact OE1-CA 3.19Å; E101-F106 PolarHBondContact OE1-N 2.97Å
102D88.8Confident88.9Confident82 Ų8270.6 Ų70.644%0.43932%0.322SS..  trans-83.5169.4171.969.268.9000112.3F104 T105 F106D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 2.99Å; D102-F104 VanDerWaalsContact OD1-CA 3.31Å; D102-F104 WeakPolarHBondContact OD1-CA 3.31Å; D102-F104 VanDerWaalsContact OD1-CB 3.27Å; D102-F104 WeakPolarHBondContact OD1-CB 3.48Å; D102-F104 PolarHBondContact OD1-N 2.87Å; D102-T105 PolarHBondContact O-N 2.85Å; D102-T105 PolarHBondContact OD1-N 3.43Å; D102-T105 PolarHBondContact OD1-OG1 3.02Å; D102-T105 PolarHBondContact OD2-OG1 3.24Å; D102-F106 WeakPolarHBondContact O-CB 3.43Å; D102-F106 PolarHBondContact O-N 3.45Å
103W90.4Very high88.8Confident22 Ų2271.3 Ų71.38%0.08333%0.326CS..Hα-helixtrans-63.5-33.2-178.4-71.5112.8000114.2K97 F106 A107 F134 L138 W143 V159 A162 I163 E166K97-W103 HydrophobicContact CD-CD2 3.94Å; K97-W103 HydrophobicContact CD-CE3 3.6Å; K97-W103 HydrophobicContact CD-CH2 3.7Å; K97-W103 HydrophobicContact CD-CZ2 4.03Å; K97-W103 HydrophobicContact CD-CZ3 3.49Å; K97-W103 VanDerWaalsContact CD-CZ3 3.49Å; W103-F106 HydrophobicContact CE3-CD1 4.26Å; W103-F106 HydrophobicContact CZ3-CD1 4.32Å; W103-A107 WeakPolarHBondContact O-CB 3.5Å; W103-A107 PolarHBondContact O-N 2.76Å; W103-F134 HydrophobicContact CB-CE2 4.35Å; W103-F134 HydrophobicContact CB-CZ 4.2Å; W103-F134 HydrophobicContact CD2-CE2 4.44Å; W103-F134 HydrophobicContact CD2-CZ 4.08Å; W103-F134 HydrophobicContact CE3-CE1 4.37Å; W103-F134 AromaticContact CE3-CE2 3.59Å; W103-F134 HydrophobicContact CE3-CE2 3.59Å; W103-F134 AromaticContact CE3-CZ 3.49Å; W103-F134 HydrophobicContact CE3-CZ 3.49Å; W103-F134 VanDerWaalsContact CE3-CZ 3.49Å; W103-F134 HydrophobicContact CG-CZ 4.39Å; W103-F134 HydrophobicContact CZ3-CE2 4.35Å; W103-F134 HydrophobicContact CZ3-CZ 4.24Å; W103-L138 HydrophobicContact CE3-CD2 4.3Å; W103-L138 HydrophobicContact CH2-CD2 3.63Å; W103-L138 HydrophobicContact CZ2-CD2 3.99Å; W103-L138 HydrophobicContact CZ3-CD2 3.79Å; W103-W143 AromaticContact CE2-CH2 3.94Å; W103-W143 HydrophobicContact CH2-CH2 4.39Å; W103-W143 AromaticContact CZ2-CH2 3.57Å; W103-W143 HydrophobicContact CZ2-CH2 3.57Å; W103-W143 AromaticContact CZ2-CZ2 3.91Å; W103-W143 HydrophobicContact CZ2-CZ2 3.91Å; W103-V159 HydrophobicContact CB-CG1 4.39Å; W103-A162 HydrophobicContact CD2-CB 4.35Å; W103-A162 HydrophobicContact CG-CB 4.26Å; W103-I163 HydrophobicContact CB-CG1 4.36Å; W103-E166 PolarHBondContact NE1-OE2 2.85Å
104F90.7Very high88.8Confident97 Ų9764 Ų6443%0.42530%0.298SS..Hα-helixtrans-71.8-44.5178.8176.1-94.8000110.9D102 F106 A107 R108 M156 V159D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 2.99Å; D102-F104 VanDerWaalsContact OD1-CA 3.31Å; D102-F104 WeakPolarHBondContact OD1-CA 3.31Å; D102-F104 VanDerWaalsContact OD1-CB 3.27Å; D102-F104 WeakPolarHBondContact OD1-CB 3.48Å; D102-F104 PolarHBondContact OD1-N 2.87Å; F104-F106 VanDerWaalsContact C-N 3.33Å; F104-F106 PolarHBondContact O-N 2.93Å; F104-A107 PolarHBondContact O-N 3.49Å; F104-R108 WeakPolarHBondContact O-CB 3.38Å; F104-R108 PolarHBondContact O-N 3.4Å; F104-M156 HydrophobicContact CD2-CE 3.93Å; F104-M156 HydrophobicContact CD2-SD 4.4Å; F104-M156 HydrophobicContact CE2-CE 3.65Å; F104-M156 HydrophobicContact CE2-SD 4.26Å; F104-V159 HydrophobicContact CB-CG1 4.23Å
105T88.5Confident88.7Confident33 Ų3361.7 Ų61.720%0.20229%0.288CS..Hα-helixtrans-60.7-43.9175.4-62.50000110.7E101 D102 A107 R108 E109E101-T105 HydrophobicContact CG-CG2 3.81Å; D102-T105 PolarHBondContact O-N 2.85Å; D102-T105 PolarHBondContact OD1-N 3.43Å; D102-T105 PolarHBondContact OD1-OG1 3.02Å; D102-T105 PolarHBondContact OD2-OG1 3.24Å; T105-A107 PolarHBondContact O-N 3.29Å; T105-R108 WeakPolarHBondContact O-CB 3.24Å; T105-R108 PolarHBondContact O-N 2.84Å; T105-E109 WeakPolarHBondContact O-CG 3.14Å; T105-E109 PolarHBondContact O-N 2.99Å
106F93.2Very high88.3Confident0 Ų066 Ų660%031%0.305CS..Hα-helixtrans-59.9-47.8174.4179.3-116.5000112.9R95 K97 E101 D102 W103 F104 R108 E109 L110 F134 E137R95-F106 HydrophobicContact CG-CE2 3.95Å; K97-F106 HydrophobicContact CB-CB 4.4Å; K97-F106 HydrophobicContact CB-CD1 4.23Å; K97-F106 HydrophobicContact CB-CD2 3.69Å; K97-F106 HydrophobicContact CB-CE1 4.45Å; K97-F106 HydrophobicContact CB-CE2 3.92Å; K97-F106 HydrophobicContact CB-CG 3.85Å; K97-F106 HydrophobicContact CB-CZ 4.32Å; K97-F106 HydrophobicContact CD-CB 4.37Å; K97-F106 HydrophobicContact CD-CG 4.48Å; K97-F106 HydrophobicContact CG-CB 4.1Å; K97-F106 HydrophobicContact CG-CD2 4.25Å; K97-F106 HydrophobicContact CG-CG 4.1Å; K97-F106 VanDerWaalsContact N-CE2 3.33Å; E101-F106 VanDerWaalsContact CD-CA 3.49Å; E101-F106 HydrophobicContact CG-CB 4Å; E101-F106 VanDerWaalsContact OE1-CA 3.26Å; E101-F106 WeakPolarHBondContact OE1-CA 3.19Å; E101-F106 PolarHBondContact OE1-N 2.97Å; D102-F106 WeakPolarHBondContact O-CB 3.43Å; D102-F106 PolarHBondContact O-N 3.45Å; W103-F106 HydrophobicContact CE3-CD1 4.26Å; W103-F106 HydrophobicContact CZ3-CD1 4.32Å; F104-F106 VanDerWaalsContact C-N 3.33Å; F104-F106 PolarHBondContact O-N 2.93Å; F106-R108 VanDerWaalsContact C-N 3.32Å; F106-R108 PolarHBondContact O-N 3.1Å; F106-E109 PolarHBondContact O-N 2.89Å; F106-L110 HydrophobicContact CD1-CD1 4.07Å; F106-L110 HydrophobicContact CE1-CD1 3.5Å; F106-L110 VanDerWaalsContact CE1-CD1 3.5Å; F106-L110 HydrophobicContact CE1-CG 4.22Å; F106-L110 HydrophobicContact CE2-CD1 4.31Å; F106-L110 HydrophobicContact CE2-CD2 4.4Å; F106-L110 HydrophobicContact CE2-CG 4.18Å; F106-L110 HydrophobicContact CZ-CD1 3.63Å; F106-L110 HydrophobicContact CZ-CD2 4.24Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.28Å; F106-L110 PolarHBondContact O-N 3.06Å; F106-F134 AromaticContact CD1-CD2 3.65Å; F106-F134 HydrophobicContact CD1-CD2 3.65Å; F106-F134 AromaticContact CD1-CE2 3.91Å; F106-F134 HydrophobicContact CD1-CE2 3.91Å; F106-F134 AromaticContact CE1-CD2 3.93Å; F106-F134 HydrophobicContact CE1-CD2 3.93Å; F106-E137 HydrophobicContact CE1-CB 3.65Å; F106-E137 HydrophobicContact CE1-CG 3.7Å; F106-E137 HydrophobicContact CE2-CG 4.32Å; F106-E137 HydrophobicContact CZ-CB 3.67Å; F106-E137 HydrophobicContact CZ-CG 3.54Å
107A92Very high88.1Confident2 Ų258.6 Ų58.62%0.01728%0.278CS..Hα-helixtrans-60.6-41.5176.700000112.1W103 F104 T105 L110 S111 F134 L155 V159W103-A107 WeakPolarHBondContact O-CB 3.5Å; W103-A107 PolarHBondContact O-N 2.76Å; F104-A107 PolarHBondContact O-N 3.49Å; T105-A107 PolarHBondContact O-N 3.29Å; A107-L110 WeakPolarHBondContact O-CB 3.44Å; A107-L110 PolarHBondContact O-N 2.98Å; A107-S111 PolarHBondContact O-N 3.43Å; A107-S111 PolarHBondContact O-OG 3.36Å; A107-F134 HydrophobicContact CB-CD2 4.09Å; A107-F134 HydrophobicContact CB-CE2 4.1Å; A107-L155 HydrophobicContact CB-CD1 3.96Å; A107-L155 HydrophobicContact CB-CD2 3.93Å; A107-L155 HydrophobicContact CB-CG 3.91Å; A107-V159 HydrophobicContact CB-CG2 3.46Å; A107-V159 VanDerWaalsContact CB-CG2 3.46Å
108R90.6Very high88Confident116 Ų11657.8 Ų57.844%0.43827%0.274SS..Hα-helixtrans-61.1-45.3176.4-174.3-176.270.6-172.1-3.6111.9F104 T105 F106 S111 K112F104-R108 WeakPolarHBondContact O-CB 3.38Å; F104-R108 PolarHBondContact O-N 3.4Å; T105-R108 WeakPolarHBondContact O-CB 3.24Å; T105-R108 PolarHBondContact O-N 2.84Å; F106-R108 VanDerWaalsContact C-N 3.32Å; F106-R108 PolarHBondContact O-N 3.1Å; R108-S111 PolarHBondContact O-N 3.43Å; R108-K112 WeakPolarHBondContact O-CG 3.3Å; R108-K112 PolarHBondContact O-N 3.43Å
109E89.9Confident87.7Confident49 Ų4958 Ų5823%0.22928%0.276CS..Hα-helixtrans-68.8-34.8178.2-65.9-48.4124.700112.3T105 F106 K112 L113T105-E109 WeakPolarHBondContact O-CG 3.14Å; T105-E109 PolarHBondContact O-N 2.99Å; F106-E109 PolarHBondContact O-N 2.89Å; E109-K112 PolarHBondContact O-N 2.88Å; E109-K112 IonicContact OE1-NZ 3.14Å; E109-K112 PolarHBondContact OE1-NZ 3.34Å; E109-K112 IonicContact OE2-NZ 3.42Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 WeakPolarHBondContact O-CG 3.23Å; E109-L113 PolarHBondContact O-N 2.93Å
110L92.7Very high87.6Confident0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-60.2-46.5170.3-77.2-178.4000111.9F92 R95 F106 A107 K112 L113 A114 R133 F134F92-L110 HydrophobicContact CD2-CD2 4.49Å; F92-L110 HydrophobicContact CE2-CD2 4.34Å; R95-L110 HydrophobicContact CB-CD2 3.92Å; R95-L110 HydrophobicContact CG-CD2 3.88Å; F106-L110 HydrophobicContact CD1-CD1 4.07Å; F106-L110 HydrophobicContact CE1-CD1 3.5Å; F106-L110 VanDerWaalsContact CE1-CD1 3.5Å; F106-L110 HydrophobicContact CE1-CG 4.22Å; F106-L110 HydrophobicContact CE2-CD1 4.31Å; F106-L110 HydrophobicContact CE2-CD2 4.4Å; F106-L110 HydrophobicContact CE2-CG 4.18Å; F106-L110 HydrophobicContact CZ-CD1 3.63Å; F106-L110 HydrophobicContact CZ-CD2 4.24Å; F106-L110 HydrophobicContact CZ-CG 3.98Å; F106-L110 WeakPolarHBondContact O-CG 3.28Å; F106-L110 PolarHBondContact O-N 3.06Å; A107-L110 WeakPolarHBondContact O-CB 3.44Å; A107-L110 PolarHBondContact O-N 2.98Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 2.87Å; L110-A114 WeakPolarHBondContact O-CB 3.21Å; L110-A114 PolarHBondContact O-N 2.87Å; L110-R133 HydrophobicContact CD1-CB 4.2Å; L110-R133 HydrophobicContact CD1-CG 4.05Å; L110-R133 HydrophobicContact CD2-CB 4.29Å; L110-R133 HydrophobicContact CD2-CG 3.52Å; L110-R133 HydrophobicContact CG-CG 4.45Å; L110-F134 HydrophobicContact CD1-CB 4Å; L110-F134 HydrophobicContact CD1-CD2 4.47Å
111S89.6Confident87.7Confident39 Ų3950.3 Ų50.327%0.27326%0.259SS..Hα-helixtrans-61.9-39.6177.4-66.10000112.4A107 R108 A114 A115 L155A107-S111 PolarHBondContact O-N 3.43Å; A107-S111 PolarHBondContact O-OG 3.36Å; R108-S111 PolarHBondContact O-N 3.43Å; S111-A114 PolarHBondContact O-N 2.93Å; S111-A115 PolarHBondContact O-N 2.96Å; S111-L155 VanDerWaalsContact OG-CD2 3.32Å; S111-L155 WeakPolarHBondContact OG-CD2 3.09Å
112K88.1Confident87.5Confident89 Ų8952.2 Ų52.239%0.38728%0.278SS..Hα-helixtrans-63.6-44.9174.2-71.9174.7-176.8171.50112R108 E109 L110 A115 R116R108-K112 WeakPolarHBondContact O-CG 3.3Å; R108-K112 PolarHBondContact O-N 3.43Å; E109-K112 PolarHBondContact O-N 2.88Å; E109-K112 IonicContact OE1-NZ 3.14Å; E109-K112 PolarHBondContact OE1-NZ 3.34Å; E109-K112 IonicContact OE2-NZ 3.42Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 2.93Å; K112-A115 PolarHBondContact O-N 2.87Å; K112-R116 WeakPolarHBondContact O-CG 3.39Å; K112-R116 PolarHBondContact O-N 3.46Å
113L89.9Confident87.1Confident22 Ų2252.2 Ų52.212%0.11528%0.283CS..Hα-helixtrans-66.4-40.1177.7-76171.6000111.8L91 F92 R95 E109 L110 A115 R116 A117L91-L113 HydrophobicContact CB-CD2 3.94Å; F92-L113 HydrophobicContact CB-CB 4.07Å; F92-L113 HydrophobicContact CD2-CB 3.93Å; R95-L113 HydrophobicContact CB-CD1 3.92Å; R95-L113 HydrophobicContact CG-CD1 3.82Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 WeakPolarHBondContact O-CG 3.23Å; E109-L113 PolarHBondContact O-N 2.93Å; L110-L113 PolarHBondContact O-N 2.87Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 3.3Å; L113-R116 PolarHBondContact O-N 3.48Å; L113-A117 WeakPolarHBondContact O-CB 2.97Å; L113-A117 PolarHBondContact O-N 2.9Å
114A90.1Very high86.7Confident0 Ų053.7 Ų53.70%030%0.304CS..Hα-helixtrans-60.4-40.7175.300000111.7F92 L110 S111 R116 A117 Y118 R126 S130F92-A114 HydrophobicContact CD2-CB 3.95Å; F92-A114 HydrophobicContact CE2-CB 3.62Å; F92-A114 HydrophobicContact CZ-CB 4.28Å; L110-A114 WeakPolarHBondContact O-CB 3.21Å; L110-A114 PolarHBondContact O-N 2.87Å; S111-A114 PolarHBondContact O-N 2.93Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 3.09Å; A114-A117 PolarHBondContact O-N 3.12Å; A114-Y118 PolarHBondContact O-N 2.83Å; A114-R126 HydrophobicContact CB-CB 4.17Å; A114-S130 WeakPolarHBondContact CB-OG 3.36Å
115A86.3Confident86.4Confident38 Ų3852.3 Ų52.331%0.31430%0.304SS..Hα-helixtrans-62.9-36.4175.800000113.2S111 K112 L113S111-A115 PolarHBondContact O-N 2.96Å; K112-A115 PolarHBondContact O-N 2.87Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-A115 PolarHBondContact O-N 3.3Å
116R83.3Confident86.4Confident140 Ų14053.6 Ų53.653%0.52831%0.305SS..Hα-helixtrans-81.4-32.2177.4-66.3176.6-177.2-179.80.1113.6N88 K112 L113 A114N88-R116 HydrophobicContact CB-CB 4.13Å; N88-R116 PolarHBondContact ND2-O 3.2Å; K112-R116 WeakPolarHBondContact O-CG 3.39Å; K112-R116 PolarHBondContact O-N 3.46Å; L113-R116 PolarHBondContact O-N 3.48Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 3.09Å
117A85.7Confident86.1Confident6 Ų657.5 Ų57.55%0.0533%0.326CS..Hα-helixtrans-78-35.6-178.800000112.5N88 V89 F92 L113 A114 P119N88-A117 HydrophobicContact CB-CB 4.21Å; V89-A117 HydrophobicContact CB-CB 4.5Å; V89-A117 HydrophobicContact CG2-CB 3.98Å; V89-A117 WeakPolarHBondContact CG2-O 3.49Å; F92-A117 HydrophobicContact CB-CB 3.92Å; F92-A117 HydrophobicContact CG-CB 4.41Å; L113-A117 WeakPolarHBondContact O-CB 2.97Å; L113-A117 PolarHBondContact O-N 2.9Å; A114-A117 PolarHBondContact O-N 3.12Å; A117-P119 VanDerWaalsContact C-CD 3.48Å
118Y87Confident86Confident34 Ų3460.1 Ų60.113%0.13335%0.347CS..  trans-131.762.9-176.4-50-75.4000110.8V89 F92 A114 A120 F121 R126 L129V89-Y118 HydrophobicContact CG2-CD1 4.48Å; V89-Y118 HydrophobicContact CG2-CE1 3.96Å; F92-Y118 AromaticContact CD1-CE2 3.7Å; F92-Y118 HydrophobicContact CD1-CE2 3.7Å; F92-Y118 AromaticContact CE1-CE2 3.91Å; F92-Y118 HydrophobicContact CE1-CE2 3.91Å; F92-Y118 HydrophobicContact CG-CE2 4.36Å; A114-Y118 PolarHBondContact O-N 2.83Å; Y118-A120 PolarHBondContact O-N 2.95Å; Y118-F121 HydrophobicContact CD1-CD2 4.16Å; Y118-F121 AromaticContact CD1-CE2 3.87Å; Y118-F121 HydrophobicContact CD1-CE2 3.87Å; Y118-F121 HydrophobicContact CD1-CZ 4.22Å; Y118-F121 HydrophobicContact CE1-CE2 4.48Å; Y118-F121 AromaticContact CG-CD2 3.91Å; Y118-F121 HydrophobicContact CG-CD2 3.91Å; Y118-F121 HydrophobicContact CG-CE2 4.09Å; Y118-F121 HydrophobicContact CG-CG 4.46Å; Y118-F121 PolarHBondContact O-N 3.36Å; Y118-R126 WeakPolarHBondContact O-CD 2.9Å; Y118-L129 HydrophobicContact CD2-CD1 3.75Å; Y118-L129 HydrophobicContact CE2-CD1 3.84Å; Y118-L129 HydrophobicContact CG-CD1 4.28Å
119P79.2Confident86Confident74 Ų7456.5 Ų56.548%0.48134%0.337SS..THydrogen-bonded Turntrans-60.6-29.8-177.324.8-33.8000112.7A117 F121A117-P119 VanDerWaalsContact C-CD 3.48Å; P119-F121 VanDerWaalsContact C-N 3.32Å; P119-F121 PolarHBondContact O-N 3.3Å
120A76.1Confident86.2Confident99 Ų9954.2 Ų54.282%0.81833%0.326SS*.THydrogen-bonded Turntrans-76.3-10.7177.100000114.6Y118Y118-A120 PolarHBondContact O-N 2.95Å
121F83.9Confident86.2Confident95 Ų9555.4 Ų55.442%0.41733%0.332SS..SBendtrans-86.8137.8-178-75.710.5000111.3Y118 P119 V125 R126 L129Y118-F121 HydrophobicContact CD1-CD2 4.16Å; Y118-F121 AromaticContact CD1-CE2 3.87Å; Y118-F121 HydrophobicContact CD1-CE2 3.87Å; Y118-F121 HydrophobicContact CD1-CZ 4.22Å; Y118-F121 HydrophobicContact CE1-CE2 4.48Å; Y118-F121 AromaticContact CG-CD2 3.91Å; Y118-F121 HydrophobicContact CG-CD2 3.91Å; Y118-F121 HydrophobicContact CG-CE2 4.09Å; Y118-F121 HydrophobicContact CG-CG 4.46Å; Y118-F121 PolarHBondContact O-N 3.36Å; P119-F121 VanDerWaalsContact C-N 3.32Å; P119-F121 PolarHBondContact O-N 3.3Å; F121-V125 HydrophobicContact CB-CB 4.28Å; F121-V125 HydrophobicContact CB-CG1 4.31Å; F121-V125 HydrophobicContact CD2-CB 4.43Å; F121-V125 HydrophobicContact CD2-CG1 3.57Å; F121-V125 HydrophobicContact CE2-CG1 4.17Å; F121-V125 HydrophobicContact CG-CG1 4.15Å; F121-R126 HydrophobicContact CB-CG 3.89Å; F121-R126 PolarHBondContact O-NE 3.46Å; F121-L129 HydrophobicContact CD2-CD1 3.82Å; F121-L129 HydrophobicContact CE2-CD1 4Å
122A82.1Confident86.2Confident60 Ų6059.5 Ų59.550%0.49635%0.347SS..  trans-56.4147.3174.600000111.2G124 V125 R126A122-G124 VanDerWaalsContact C-N 3.27Å; A122-G124 PolarHBondContact O-N 2.9Å; A122-G124 VanDerWaalsContact O-N 3.15Å; A122-V125 HydrophobicContact CB-CG2 4.42Å; A122-V125 PolarHBondContact O-N 3.22Å; A122-R126 PolarHBondContact O-N 3.46Å
123P80.3Confident86.5Confident82 Ų8257.4 Ų57.453%0.53234%0.337SS..Hα-helixtrans-47-45.6-179.5-28.833.9000114V125 R126 D127P123-V125 VanDerWaalsContact C-N 3.31Å; P123-V125 PolarHBondContact O-N 2.92Å; P123-R126 WeakPolarHBondContact O-CB 3.07Å; P123-R126 PolarHBondContact O-N 3.13Å; P123-R126 VanDerWaalsContact O-N 3.11Å; P123-D127 VanDerWaalsContact O-CG 3.3Å; P123-D127 PolarHBondContact O-N 2.89Å
124G81.3Confident86.7Confident52 Ų5256.3 Ų56.354%0.53633%0.331SS..Hα-helixtrans-63.2-30.9178.900000114.8A122 A128A122-G124 VanDerWaalsContact C-N 3.27Å; A122-G124 PolarHBondContact O-N 2.9Å; A122-G124 VanDerWaalsContact O-N 3.15Å; G124-A128 PolarHBondContact O-N 3.17Å; G124-A128 VanDerWaalsContact O-N 3.08Å
125V84.4Confident86.7Confident69 Ų6958.2 Ų58.242%0.41834%0.341SS..Hα-helixtrans-72.9-39.9174.7-178.50000110.3F121 A122 P123 D127 A128 L129F121-V125 HydrophobicContact CB-CB 4.28Å; F121-V125 HydrophobicContact CB-CG1 4.31Å; F121-V125 HydrophobicContact CD2-CB 4.43Å; F121-V125 HydrophobicContact CD2-CG1 3.57Å; F121-V125 HydrophobicContact CE2-CG1 4.17Å; F121-V125 HydrophobicContact CG-CG1 4.15Å; A122-V125 HydrophobicContact CB-CG2 4.42Å; A122-V125 PolarHBondContact O-N 3.22Å; P123-V125 VanDerWaalsContact C-N 3.31Å; P123-V125 PolarHBondContact O-N 2.92Å; V125-D127 VanDerWaalsContact C-N 3.32Å; V125-A128 PolarHBondContact O-N 2.89Å; V125-L129 HydrophobicContact CG1-CD1 4.39Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 3.32Å
126R88.6Confident86.7Confident59 Ų5960.6 Ų60.622%0.22335%0.352CS..Hα-helixtrans-64-39.1175-63.7-172.5-68.7-166.10111.4A114 Y118 F121 A122 P123 L129 S130A114-R126 HydrophobicContact CB-CB 4.17Å; Y118-R126 WeakPolarHBondContact O-CD 2.9Å; F121-R126 HydrophobicContact CB-CG 3.89Å; F121-R126 PolarHBondContact O-NE 3.46Å; A122-R126 PolarHBondContact O-N 3.46Å; P123-R126 WeakPolarHBondContact O-CB 3.07Å; P123-R126 PolarHBondContact O-N 3.13Å; P123-R126 VanDerWaalsContact O-N 3.11Å; R126-L129 PolarHBondContact O-N 3.37Å; R126-S130 WeakPolarHBondContact O-CB 3.17Å; R126-S130 PolarHBondContact O-N 2.73Å; R126-S130 PolarHBondContact O-OG 3.07Å
127D87.1Confident86.9Confident82 Ų8255.4 Ų55.444%0.43933%0.334SS..Hα-helixtrans-65.3-40.9176-67.9-23000112P123 V125 S130 L131P123-D127 VanDerWaalsContact O-CG 3.3Å; P123-D127 PolarHBondContact O-N 2.89Å; V125-D127 VanDerWaalsContact C-N 3.32Å; D127-S130 PolarHBondContact O-N 2.64Å; D127-L131 WeakPolarHBondContact O-CB 3.46Å; D127-L131 PolarHBondContact O-N 2.94Å
128A89.2Confident86.7Confident57 Ų5755.3 Ų55.347%0.47133%0.332SS..Hα-helixtrans-63.7-42174.700000112.2G124 V125 L131 E132G124-A128 PolarHBondContact O-N 3.17Å; G124-A128 VanDerWaalsContact O-N 3.08Å; V125-A128 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 3.48Å; A128-E132 PolarHBondContact O-N 2.95Å
129L91.9Very high85.7Confident41 Ų4155.1 Ų55.122%0.21534%0.341CS..Hα-helixtrans-63.4-43.1174.6-71.2170.3000111.5F92 Y118 F121 V125 R126 E132 R133F92-L129 HydrophobicContact CE1-CB 4.24Å; F92-L129 HydrophobicContact CZ-CB 3.89Å; Y118-L129 HydrophobicContact CD2-CD1 3.75Å; Y118-L129 HydrophobicContact CE2-CD1 3.84Å; Y118-L129 HydrophobicContact CG-CD1 4.28Å; F121-L129 HydrophobicContact CD2-CD1 3.82Å; F121-L129 HydrophobicContact CE2-CD1 4Å; V125-L129 HydrophobicContact CG1-CD1 4.39Å; V125-L129 WeakPolarHBondContact O-CG 3.39Å; V125-L129 PolarHBondContact O-N 3.32Å; R126-L129 PolarHBondContact O-N 3.37Å; L129-E132 PolarHBondContact O-N 3.43Å; L129-R133 WeakPolarHBondContact O-CB 3.18Å; L129-R133 PolarHBondContact O-N 3.32Å
130S93Very high85Confident0 Ų057.8 Ų57.80%036%0.358CS..Hα-helixtrans-63.7-40.8176.4-640000111.7A114 R126 D127 R133 F134A114-S130 WeakPolarHBondContact CB-OG 3.36Å; R126-S130 WeakPolarHBondContact O-CB 3.17Å; R126-S130 PolarHBondContact O-N 2.73Å; R126-S130 PolarHBondContact O-OG 3.07Å; D127-S130 PolarHBondContact O-N 2.64Å; S130-R133 PolarHBondContact O-N 2.46Å; S130-F134 VanDerWaalsContact O-CB 3.27Å; S130-F134 WeakPolarHBondContact O-CB 3.41Å; S130-F134 PolarHBondContact O-N 2.69Å
131L93.5Very high84.4Confident25 Ų2557.5 Ų57.513%0.13134%0.34CS..Hα-helixtrans-60.8-48.117417360.5000111.6D127 A128 R133 F134 L135 P152 L155 A158D127-L131 WeakPolarHBondContact O-CB 3.46Å; D127-L131 PolarHBondContact O-N 2.94Å; A128-L131 PolarHBondContact O-N 3.48Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.33Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 3.05Å; L131-L135 HydrophobicContact CD1-CD1 3.97Å; L131-L135 HydrophobicContact CD1-CD2 4.45Å; L131-L135 HydrophobicContact CD1-CG 3.94Å; L131-L135 HydrophobicContact CG-CD1 4.16Å; L131-L135 HydrophobicContact CG-CG 4.49Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 2.87Å; L131-P152 HydrophobicContact CD1-CG 4.19Å; L131-L155 HydrophobicContact CB-CB 4.48Å; L131-A158 HydrophobicContact CD1-CB 3.57Å
132E90.3Very high83.5Confident126 Ų12660.9 Ų60.959%0.58936%0.357SS*.Hα-helixtrans-60.6-44.1178-174.2-179176.200111.6A128 L129 L135 T136A128-E132 PolarHBondContact O-N 2.95Å; L129-E132 PolarHBondContact O-N 3.43Å; E132-L135 PolarHBondContact O-N 2.9Å; E132-T136 PolarHBondContact O-N 3.49Å; E132-T136 PolarHBondContact O-OG1 3.46Å
133R92.6Very high83.2Confident44 Ų4459.1 Ų59.117%0.16634%0.337CS..Hα-helixtrans-63.9-40.8176.6-173.967-150.5158.68.9111.7F92 R93 R95 R96 L110 L129 S130 L131 T136 E137F92-R133 HydrophobicContact CE2-CB 4.5Å; F92-R133 HydrophobicContact CZ-CB 4.04Å; F92-R133 HydrophobicContact CZ-CG 4.47Å; R93-R133 PolarHBondContact O-NE 3.27Å; R93-R133 PolarHBondContact O-NH1 3.07Å; R95-R133 PolarHBondContact O-NE 3.43Å; R95-R133 PolarHBondContact O-NH2 3.09Å; R96-R133 VanDerWaalsContact CD-NH2 3.29Å; L110-R133 HydrophobicContact CD1-CB 4.2Å; L110-R133 HydrophobicContact CD1-CG 4.05Å; L110-R133 HydrophobicContact CD2-CB 4.29Å; L110-R133 HydrophobicContact CD2-CG 3.52Å; L110-R133 HydrophobicContact CG-CG 4.45Å; L129-R133 WeakPolarHBondContact O-CB 3.18Å; L129-R133 PolarHBondContact O-N 3.32Å; S130-R133 PolarHBondContact O-N 2.46Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.33Å; R133-T136 PolarHBondContact O-N 3.34Å; R133-E137 IonicContact NH2-OE2 3.2Å; R133-E137 PolarHBondContact O-N 3.19Å; R133-E137 VanDerWaalsContact O-N 3.15Å
134F94.1Very high83Confident0 Ų055.2 Ų55.20%031%0.312CS..Hα-helixtrans-62-48.2175.3-175-84.7000111.8W103 F106 A107 L110 S130 L131 T136 E137 L138 L155 A158 V159 A162W103-F134 HydrophobicContact CB-CE2 4.35Å; W103-F134 HydrophobicContact CB-CZ 4.2Å; W103-F134 HydrophobicContact CD2-CE2 4.44Å; W103-F134 HydrophobicContact CD2-CZ 4.08Å; W103-F134 HydrophobicContact CE3-CE1 4.37Å; W103-F134 AromaticContact CE3-CE2 3.59Å; W103-F134 HydrophobicContact CE3-CE2 3.59Å; W103-F134 AromaticContact CE3-CZ 3.49Å; W103-F134 HydrophobicContact CE3-CZ 3.49Å; W103-F134 VanDerWaalsContact CE3-CZ 3.49Å; W103-F134 HydrophobicContact CG-CZ 4.39Å; W103-F134 HydrophobicContact CZ3-CE2 4.35Å; W103-F134 HydrophobicContact CZ3-CZ 4.24Å; F106-F134 AromaticContact CD1-CD2 3.65Å; F106-F134 HydrophobicContact CD1-CD2 3.65Å; F106-F134 AromaticContact CD1-CE2 3.91Å; F106-F134 HydrophobicContact CD1-CE2 3.91Å; F106-F134 AromaticContact CE1-CD2 3.93Å; F106-F134 HydrophobicContact CE1-CD2 3.93Å; A107-F134 HydrophobicContact CB-CD2 4.09Å; A107-F134 HydrophobicContact CB-CE2 4.1Å; L110-F134 HydrophobicContact CD1-CB 4Å; L110-F134 HydrophobicContact CD1-CD2 4.47Å; S130-F134 VanDerWaalsContact O-CB 3.27Å; S130-F134 WeakPolarHBondContact O-CB 3.41Å; S130-F134 PolarHBondContact O-N 2.69Å; L131-F134 WeakPolarHBondContact O-CB 3.33Å; L131-F134 PolarHBondContact O-N 3.05Å; F134-T136 PolarHBondContact O-N 3.17Å; F134-E137 PolarHBondContact O-N 3.24Å; F134-E137 VanDerWaalsContact O-N 3.1Å; F134-L138 HydrophobicContact CD1-CD1 4.32Å; F134-L138 HydrophobicContact CD1-CG 4.34Å; F134-L138 HydrophobicContact CE1-CD1 4.15Å; F134-L138 HydrophobicContact CE1-CD2 4.12Å; F134-L138 HydrophobicContact CE1-CG 4.17Å; F134-L138 PolarHBondContact O-N 2.81Å; F134-L138 VanDerWaalsContact O-N 3.12Å; F134-L155 HydrophobicContact CB-CD1 3.53Å; F134-L155 HydrophobicContact CD2-CD1 3.82Å; F134-L155 HydrophobicContact CG-CD1 3.72Å; F134-A158 HydrophobicContact CD1-CB 3.78Å; F134-A158 HydrophobicContact CE1-CB 3.83Å; F134-V159 HydrophobicContact CD2-CG2 4.41Å; F134-V159 HydrophobicContact CE2-CG2 3.66Å; F134-V159 HydrophobicContact CZ-CB 4.43Å; F134-V159 HydrophobicContact CZ-CG2 3.75Å; F134-A162 HydrophobicContact CE1-CB 4.25Å; F134-A162 HydrophobicContact CZ-CB 4.19Å
135L90.5Very high82.8Confident39 Ų3954.5 Ų54.520%0.20430%0.299CS..Hα-helixtrans-64.5-27.8178.7-68.6177.9000113.3L131 E132 L138 V147 R148 P152 A158L131-L135 HydrophobicContact CD1-CD1 3.97Å; L131-L135 HydrophobicContact CD1-CD2 4.45Å; L131-L135 HydrophobicContact CD1-CG 3.94Å; L131-L135 HydrophobicContact CG-CD1 4.16Å; L131-L135 HydrophobicContact CG-CG 4.49Å; L131-L135 WeakPolarHBondContact O-CG 3.46Å; L131-L135 PolarHBondContact O-N 2.87Å; E132-L135 PolarHBondContact O-N 2.9Å; L135-L138 HydrophobicContact CD2-CD1 3.73Å; L135-V147 HydrophobicContact CD2-CG1 4.42Å; L135-R148 HydrophobicContact CD2-CG 4.43Å; L135-P152 HydrophobicContact CD1-CG 4.47Å; L135-P152 HydrophobicContact CD2-CG 3.92Å; L135-A158 HydrophobicContact CD2-CB 4.28Å
136T86.7Confident82.6Confident89 Ų8953.6 Ų53.655%0.54629%0.293SS..Hα-helixtrans-73.8-33.1174.1-55.50000111.9E132 R133 F134E132-T136 PolarHBondContact O-N 3.49Å; E132-T136 PolarHBondContact O-OG1 3.46Å; R133-T136 PolarHBondContact O-N 3.34Å; F134-T136 PolarHBondContact O-N 3.17Å
137E88.6Confident82.4Confident31 Ų3150.9 Ų50.915%0.14528%0.283CS..Hα-helixtrans-76.6-26.9177.2-172.162.3-172.200112.9R96 K97 F106 R133 F134 G139R96-E137 WeakPolarHBondContact CA-OE1 3.2Å; R96-E137 WeakPolarHBondContact CB-OE1 3.16Å; R96-E137 WeakPolarHBondContact CD-OE2 3.25Å; R96-E137 IonicContact CZ-OE2 3.46Å; R96-E137 IonicContact NE-OE1 2.67Å; R96-E137 IonicContact NE-OE2 2.75Å; R96-E137 PolarHBondContact NE-OE2 2.88Å; K97-E137 HydrophobicContact CB-CG 3.91Å; K97-E137 PolarHBondContact N-OE1 2.62Å; F106-E137 HydrophobicContact CE1-CB 3.65Å; F106-E137 HydrophobicContact CE1-CG 3.7Å; F106-E137 HydrophobicContact CE2-CG 4.32Å; F106-E137 HydrophobicContact CZ-CB 3.67Å; F106-E137 HydrophobicContact CZ-CG 3.54Å; R133-E137 IonicContact NH2-OE2 3.2Å; R133-E137 PolarHBondContact O-N 3.19Å; R133-E137 VanDerWaalsContact O-N 3.15Å; F134-E137 PolarHBondContact O-N 3.24Å; F134-E137 VanDerWaalsContact O-N 3.1Å; E137-G139 PolarHBondContact O-N 3.38Å
138L80.8Confident82.3Confident3 Ų351.2 Ų51.22%0.01628%0.279CS..SBendtrans-55.9103.9166-66176.1000107.2W103 F134 L135 W143 A144 V147 R148 A162W103-L138 HydrophobicContact CE3-CD2 4.3Å; W103-L138 HydrophobicContact CH2-CD2 3.63Å; W103-L138 HydrophobicContact CZ2-CD2 3.99Å; W103-L138 HydrophobicContact CZ3-CD2 3.79Å; F134-L138 HydrophobicContact CD1-CD1 4.32Å; F134-L138 HydrophobicContact CD1-CG 4.34Å; F134-L138 HydrophobicContact CE1-CD1 4.15Å; F134-L138 HydrophobicContact CE1-CD2 4.12Å; F134-L138 HydrophobicContact CE1-CG 4.17Å; F134-L138 PolarHBondContact O-N 2.81Å; F134-L138 VanDerWaalsContact O-N 3.12Å; L135-L138 HydrophobicContact CD2-CD1 3.73Å; L138-W143 HydrophobicContact CD2-CH2 3.62Å; L138-W143 HydrophobicContact CD2-CZ3 3.92Å; L138-A144 HydrophobicContact CB-CB 3.91Å; L138-V147 HydrophobicContact CD1-CB 3.94Å; L138-V147 HydrophobicContact CD1-CG1 3.6Å; L138-R148 PolarHBondContact O-NH1 3.15Å; L138-A162 HydrophobicContact CD2-CB 4.07Å
139G66.6Low81.9Confident30 Ų3057.4 Ų57.431%0.30929%0.29SS..  trans-63.6-166.5-170.400000114.8E137 E141 A144 R148E137-G139 PolarHBondContact O-N 3.38Å; G139-E141 PolarHBondContact O-N 3Å; G139-E141 VanDerWaalsContact O-N 3.13Å; G139-A144 WeakPolarHBondContact O-CB 3.15Å; G139-R148 PolarHBondContact O-NH1 3.12Å; G139-R148 PolarHBondContact O-NH2 3.29Å; G139-R148 VanDerWaalsContact O-NH2 3.09Å
140P62.6Low81.4Confident131 Ų13158 Ų5885%0.85130%0.301SS*.SBendtrans-75.36.2-179.631.9-35.4000114
141E65.4Low80.8Confident92 Ų9261.6 Ų61.643%0.4332%0.32SS..  trans-63.7146.4-177.7-57.4-165.1174.700111.6G139 W143 A144 S145G139-E141 PolarHBondContact O-N 3Å; G139-E141 VanDerWaalsContact O-N 3.13Å; E141-W143 HydrophobicContact CB-CG 4.36Å; E141-W143 PolarHBondContact O-N 3.02Å; E141-W143 PolarHBondContact OE2-NE1 3.46Å; E141-A144 WeakPolarHBondContact O-CB 3.48Å; E141-A144 PolarHBondContact O-N 3.31Å; E141-A144 VanDerWaalsContact O-N 3.08Å; E141-S145 PolarHBondContact O-N 3.03Å
142E64.8Low80.5Confident166 Ų16660.6 Ų60.678%0.77632%0.315SS*.Hα-helixtrans-59-38.2-176.2-74-158.9150.700112.1A144 S145 T146E142-A144 VanDerWaalsContact C-N 3.34Å; E142-A144 PolarHBondContact O-N 3.11Å; E142-S145 VanDerWaalsContact O-CB 3.31Å; E142-S145 WeakPolarHBondContact O-CB 3.34Å; E142-S145 PolarHBondContact O-N 3.36Å; E142-S145 VanDerWaalsContact O-N 3.12Å; E142-T146 PolarHBondContact O-N 2.64Å
143W74.9Confident80.3Confident23 Ų2358.7 Ų58.79%0.08732%0.315CS..Hα-helixtrans-63.1-39.9177.382.9-107.7000111.9W103 L138 E141 S145 T146 V147 A162 Q165 E169W103-W143 AromaticContact CE2-CH2 3.94Å; W103-W143 HydrophobicContact CH2-CH2 4.39Å; W103-W143 AromaticContact CZ2-CH2 3.57Å; W103-W143 HydrophobicContact CZ2-CH2 3.57Å; W103-W143 AromaticContact CZ2-CZ2 3.91Å; W103-W143 HydrophobicContact CZ2-CZ2 3.91Å; L138-W143 HydrophobicContact CD2-CH2 3.62Å; L138-W143 HydrophobicContact CD2-CZ3 3.92Å; E141-W143 HydrophobicContact CB-CG 4.36Å; E141-W143 PolarHBondContact O-N 3.02Å; E141-W143 PolarHBondContact OE2-NE1 3.46Å; W143-S145 PolarHBondContact O-N 2.95Å; W143-T146 WeakPolarHBondContact O-CA 3.24Å; W143-T146 VanDerWaalsContact O-CB 3.24Å; W143-T146 WeakPolarHBondContact O-CB 3.37Å; W143-T146 PolarHBondContact O-N 3.3Å; W143-V147 HydrophobicContact CE3-CG2 4.09Å; W143-V147 HydrophobicContact CZ3-CG2 3.99Å; W143-V147 PolarHBondContact O-N 3.16Å; W143-A162 HydrophobicContact CH2-CB 4.41Å; W143-A162 HydrophobicContact CZ3-CB 4.05Å; W143-Q165 HydrophobicContact CB-CG 3.62Å; W143-Q165 HydrophobicContact CD2-CG 4.44Å; W143-Q165 HydrophobicContact CE3-CB 3.93Å; W143-Q165 HydrophobicContact CE3-CG 3.93Å; W143-Q165 HydrophobicContact CG-CG 4.38Å; W143-E169 HydrophobicContact CB-CG 3.58Å; W143-E169 HydrophobicContact CG-CG 4.12Å
144A76Confident80.1Confident0 Ų058.7 Ų58.70%032%0.323CS..Hα-helixtrans-64.2-31.2175.700000111.6L138 G139 E141 E142 T146 V147 R148L138-A144 HydrophobicContact CB-CB 3.91Å; G139-A144 WeakPolarHBondContact O-CB 3.15Å; E141-A144 WeakPolarHBondContact O-CB 3.48Å; E141-A144 PolarHBondContact O-N 3.31Å; E141-A144 VanDerWaalsContact O-N 3.08Å; E142-A144 VanDerWaalsContact C-N 3.34Å; E142-A144 PolarHBondContact O-N 3.11Å; A144-T146 VanDerWaalsContact C-N 3.28Å; A144-T146 PolarHBondContact O-N 3.09Å; A144-V147 PolarHBondContact O-N 3.26Å; A144-R148 PolarHBondContact O-N 3.36Å
145S77.2Confident79.8Confident38 Ų3859.3 Ų59.327%0.26633%0.326SS..Hα-helixtrans-69.7-24.7172.5-590000112.8E141 E142 W143 R148 R149E141-S145 PolarHBondContact O-N 3.03Å; E142-S145 VanDerWaalsContact O-CB 3.31Å; E142-S145 WeakPolarHBondContact O-CB 3.34Å; E142-S145 PolarHBondContact O-N 3.36Å; E142-S145 VanDerWaalsContact O-N 3.12Å; W143-S145 PolarHBondContact O-N 2.95Å; S145-R148 PolarHBondContact OG-NH2 3.15Å; S145-R149 VanDerWaalsContact O-CB 3.29Å; S145-R149 WeakPolarHBondContact O-CB 3.28Å; S145-R149 WeakPolarHBondContact O-CG 3.15Å; S145-R149 PolarHBondContact O-N 3.22Å; S145-R149 PolarHBondContact O-NE 3.13Å
146T81.4Confident79.7Confident49 Ų4962 Ų6230%0.30134%0.338SS..Hα-helixtrans-69.4-45171.4-560000111E142 W143 A144 R148 R149 A150E142-T146 PolarHBondContact O-N 2.64Å; W143-T146 WeakPolarHBondContact O-CA 3.24Å; W143-T146 VanDerWaalsContact O-CB 3.24Å; W143-T146 WeakPolarHBondContact O-CB 3.37Å; W143-T146 PolarHBondContact O-N 3.3Å; A144-T146 VanDerWaalsContact C-N 3.28Å; A144-T146 PolarHBondContact O-N 3.09Å; T146-R148 PolarHBondContact O-N 3.06Å; T146-R149 PolarHBondContact O-N 3.41Å; T146-R149 PolarHBondContact OG1-NH2 2.65Å; T146-A150 WeakPolarHBondContact O-CB 3.09Å; T146-A150 PolarHBondContact O-N 3.22Å
147V83.8Confident79.8Confident2 Ų259.1 Ų59.11%0.01232%0.32CS..Hα-helixtrans-60.9-46175.8-178.30000111.3L135 L138 W143 A144 R149 A150 P152 M161 A162 Q165L135-V147 HydrophobicContact CD2-CG1 4.42Å; L138-V147 HydrophobicContact CD1-CB 3.94Å; L138-V147 HydrophobicContact CD1-CG1 3.6Å; W143-V147 HydrophobicContact CE3-CG2 4.09Å; W143-V147 HydrophobicContact CZ3-CG2 3.99Å; W143-V147 PolarHBondContact O-N 3.16Å; A144-V147 PolarHBondContact O-N 3.26Å; V147-R149 VanDerWaalsContact C-N 3.35Å; V147-R149 PolarHBondContact O-N 3.15Å; V147-A150 PolarHBondContact O-N 2.82Å; V147-P152 WeakPolarHBondContact O-CD 3.19Å; V147-M161 HydrophobicContact CG1-CB 3.9Å; V147-M161 HydrophobicContact CG2-CB 4.25Å; V147-A162 HydrophobicContact CG2-CB 4.45Å; V147-Q165 HydrophobicContact CG2-CB 4.14Å
148R83.6Confident79.9Confident89 Ų8957.7 Ų57.734%0.33631%0.313SS..Hα-helixtrans-61.7-39.9175.7-74.5-174.4-71.2-92-0.3113L135 L138 G139 A144 S145 T146 A150 N151L135-R148 HydrophobicContact CD2-CG 4.43Å; L138-R148 PolarHBondContact O-NH1 3.15Å; G139-R148 PolarHBondContact O-NH1 3.12Å; G139-R148 PolarHBondContact O-NH2 3.29Å; G139-R148 VanDerWaalsContact O-NH2 3.09Å; A144-R148 PolarHBondContact O-N 3.36Å; S145-R148 PolarHBondContact OG-NH2 3.15Å; T146-R148 PolarHBondContact O-N 3.06Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-N151 PolarHBondContact O-N 2.73Å
149R81.5Confident80.4Confident187 Ų18757.8 Ų57.871%0.70631%0.313SS*.Hα-helixtrans-69.8-30.3178.3-79.1-179-68.8-179.70.3112.8S145 T146 V147 N151S145-R149 VanDerWaalsContact O-CB 3.29Å; S145-R149 WeakPolarHBondContact O-CB 3.28Å; S145-R149 WeakPolarHBondContact O-CG 3.15Å; S145-R149 PolarHBondContact O-N 3.22Å; S145-R149 PolarHBondContact O-NE 3.13Å; T146-R149 PolarHBondContact O-N 3.41Å; T146-R149 PolarHBondContact OG1-NH2 2.65Å; V147-R149 VanDerWaalsContact C-N 3.35Å; V147-R149 PolarHBondContact O-N 3.15Å; R149-N151 PolarHBondContact O-N 3.48Å
150A81.1Confident81.3Confident54 Ų5462.6 Ų62.645%0.44632%0.322SS..Hα-helixtrans-68.4-15175.200000113T146 V147 R148 M161T146-A150 WeakPolarHBondContact O-CB 3.09Å; T146-A150 PolarHBondContact O-N 3.22Å; V147-A150 PolarHBondContact O-N 2.82Å; R148-A150 VanDerWaalsContact C-N 3.33Å; A150-M161 HydrophobicContact CB-CE 4.17Å; A150-M161 HydrophobicContact CB-SD 3.59Å; A150-M161 VanDerWaalsContact CB-SD 3.59Å
151N81.6Confident82.5Confident75 Ų7559 Ų5940%0.40130%0.295SS..  trans5264.6175.3-172.159.6000112.7R148 R149 S153 Q842R148-N151 PolarHBondContact O-N 2.73Å; R149-N151 PolarHBondContact O-N 3.48Å; N151-S153 PolarHBondContact O-N 2.79Å; N151-Q842 PolarHBondContact ND2-OE1 3.39Å
152P86.6Confident83.6Confident4 Ų454.6 Ų54.63%0.02627%0.274CS..  trans-56.6136.4-179.221.5-31.9000111.8L131 L135 V147 D157 A158 M161L131-P152 HydrophobicContact CD1-CG 4.19Å; L135-P152 HydrophobicContact CD1-CG 4.47Å; L135-P152 HydrophobicContact CD2-CG 3.92Å; V147-P152 WeakPolarHBondContact O-CD 3.19Å; P152-D157 HydrophobicContact CB-CB 3.87Å; P152-A158 HydrophobicContact CB-CB 3.78Å; P152-A158 HydrophobicContact CG-CB 3.6Å; P152-M161 HydrophobicContact CB-CE 4.29Å; P152-M161 HydrophobicContact CB-SD 3.84Å; P152-M161 HydrophobicContact CG-SD 4.33Å
153S85Confident84.6Confident86 Ų8650.6 Ų50.660%0.60126%0.258SS*.SBendtrans-76.4-21.6-179.630.70000114.2N151 D157N151-S153 PolarHBondContact O-N 2.79Å; S153-D157 PolarHBondContact OG-OD2 3.06Å
154S88.3Confident84.9Confident45 Ų4555 Ų5532%0.31528%0.279SS..SBendtrans-144.6163.1-17869.20000111.4M156 D157 A158S154-M156 PolarHBondContact O-N 2.95Å; S154-D157 PolarHBondContact N-OD2 2.89Å; S154-D157 PolarHBondContact O-N 2.87Å; S154-D157 VanDerWaalsContact O-N 3.17Å; S154-D157 PolarHBondContact OG-N 2.94Å; S154-D157 PolarHBondContact OG-OD2 2.79Å; S154-A158 PolarHBondContact O-N 2.84Å
155L89.6Confident85.1Confident13 Ų1357 Ų577%0.06829%0.289CS..Hα-helixtrans-54.4-40.6172.3179.363.3000111.4A107 S111 L131 F134 A158 V159A107-L155 HydrophobicContact CB-CD1 3.96Å; A107-L155 HydrophobicContact CB-CD2 3.93Å; A107-L155 HydrophobicContact CB-CG 3.91Å; S111-L155 VanDerWaalsContact OG-CD2 3.32Å; S111-L155 WeakPolarHBondContact OG-CD2 3.09Å; L131-L155 HydrophobicContact CB-CB 4.48Å; F134-L155 HydrophobicContact CB-CD1 3.53Å; F134-L155 HydrophobicContact CD2-CD1 3.82Å; F134-L155 HydrophobicContact CG-CD1 3.72Å; L155-A158 WeakPolarHBondContact O-CB 3.25Å; L155-A158 PolarHBondContact O-N 2.82Å; L155-V159 VanDerWaalsContact O-CG2 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.39Å; L155-V159 PolarHBondContact O-N 2.77Å
156M88.6Confident85.3Confident95 Ų9558.4 Ų58.447%0.46829%0.291SS..Hα-helixtrans-71.1-33.6179.3-68.2-57.4-72.300113F104 S154 A158 V159 R160F104-M156 HydrophobicContact CD2-CE 3.93Å; F104-M156 HydrophobicContact CD2-SD 4.4Å; F104-M156 HydrophobicContact CE2-CE 3.65Å; F104-M156 HydrophobicContact CE2-SD 4.26Å; S154-M156 PolarHBondContact O-N 2.95Å; M156-A158 VanDerWaalsContact C-N 3.34Å; M156-V159 PolarHBondContact O-N 2.79Å; M156-R160 WeakPolarHBondContact O-CB 3.33Å; M156-R160 PolarHBondContact O-N 2.92Å
157D88.4Confident84.9Confident29 Ų2958.7 Ų58.716%0.15530%0.298CS..Hα-helixtrans-65.7-40.2171.3-63.8-38.8000111P152 S153 S154 R160 M161P152-D157 HydrophobicContact CB-CB 3.87Å; S153-D157 PolarHBondContact OG-OD2 3.06Å; S154-D157 PolarHBondContact N-OD2 2.89Å; S154-D157 PolarHBondContact O-N 2.87Å; S154-D157 VanDerWaalsContact O-N 3.17Å; S154-D157 PolarHBondContact OG-N 2.94Å; S154-D157 PolarHBondContact OG-OD2 2.79Å; D157-R160 PolarHBondContact O-N 2.82Å; D157-R160 IonicContact OD1-CZ 3.74Å; D157-R160 IonicContact OD1-NH1 3.64Å; D157-R160 PolarHBondContact OD1-NH1 3.3Å; D157-R160 IonicContact OD1-NH2 3.33Å; D157-M161 WeakPolarHBondContact O-CB 3.49Å; D157-M161 VanDerWaalsContact O-CG 3.23Å; D157-M161 WeakPolarHBondContact O-CG 3.39Å; D157-M161 PolarHBondContact O-N 3.26Å
158A90.3Very high84.5Confident0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-63.4-41.7175.400000111.8L131 F134 L135 P152 S154 L155 M156 A162L131-A158 HydrophobicContact CD1-CB 3.57Å; F134-A158 HydrophobicContact CD1-CB 3.78Å; F134-A158 HydrophobicContact CE1-CB 3.83Å; L135-A158 HydrophobicContact CD2-CB 4.28Å; P152-A158 HydrophobicContact CB-CB 3.78Å; P152-A158 HydrophobicContact CG-CB 3.6Å; S154-A158 PolarHBondContact O-N 2.84Å; L155-A158 WeakPolarHBondContact O-CB 3.25Å; L155-A158 PolarHBondContact O-N 2.82Å; M156-A158 VanDerWaalsContact C-N 3.34Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.18Å; A158-A162 PolarHBondContact O-N 3.1Å
159V90.5Very high83.7Confident5 Ų559.6 Ų59.63%0.0331%0.31CS..Hα-helixtrans-60.8-48.6173.6171.40000110.7W103 F104 A107 F134 L155 M156 M161 A162 I163W103-V159 HydrophobicContact CB-CG1 4.39Å; F104-V159 HydrophobicContact CB-CG1 4.23Å; A107-V159 HydrophobicContact CB-CG2 3.46Å; A107-V159 VanDerWaalsContact CB-CG2 3.46Å; F134-V159 HydrophobicContact CD2-CG2 4.41Å; F134-V159 HydrophobicContact CE2-CG2 3.66Å; F134-V159 HydrophobicContact CZ-CB 4.43Å; F134-V159 HydrophobicContact CZ-CG2 3.75Å; L155-V159 VanDerWaalsContact O-CG2 3.31Å; L155-V159 WeakPolarHBondContact O-CG2 3.39Å; L155-V159 PolarHBondContact O-N 2.77Å; M156-V159 PolarHBondContact O-N 2.79Å; V159-M161 PolarHBondContact O-N 3.15Å; V159-A162 PolarHBondContact O-N 3.13Å; V159-I163 HydrophobicContact CG1-CD1 3.68Å; V159-I163 HydrophobicContact CG1-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.23Å; V159-I163 PolarHBondContact O-N 2.77Å
160R86.8Confident83.1Confident132 Ų13256.2 Ų56.250%0.49830%0.302SS..Hα-helixtrans-59.8-46.9179.6-166.8-172.7-57.3111.42.2111.6M156 D157 I163 Q164M156-R160 WeakPolarHBondContact O-CB 3.33Å; M156-R160 PolarHBondContact O-N 2.92Å; D157-R160 PolarHBondContact O-N 2.82Å; D157-R160 IonicContact OD1-CZ 3.74Å; D157-R160 IonicContact OD1-NH1 3.64Å; D157-R160 PolarHBondContact OD1-NH1 3.3Å; D157-R160 IonicContact OD1-NH2 3.33Å; R160-I163 PolarHBondContact O-N 2.58Å; R160-Q164 WeakPolarHBondContact O-CB 2.89Å; R160-Q164 VanDerWaalsContact O-CG 3.31Å; R160-Q164 WeakPolarHBondContact O-CG 3.38Å; R160-Q164 PolarHBondContact O-N 2.81Å
161M87.4Confident82.5Confident54 Ų5457.5 Ų57.527%0.26631%0.312SS..Hα-helixtrans-64.6-39.7177.5-70176-17400111.9V147 A150 P152 D157 V159 Q164 Q165V147-M161 HydrophobicContact CG1-CB 3.9Å; V147-M161 HydrophobicContact CG2-CB 4.25Å; A150-M161 HydrophobicContact CB-CE 4.17Å; A150-M161 HydrophobicContact CB-SD 3.59Å; A150-M161 VanDerWaalsContact CB-SD 3.59Å; P152-M161 HydrophobicContact CB-CE 4.29Å; P152-M161 HydrophobicContact CB-SD 3.84Å; P152-M161 HydrophobicContact CG-SD 4.33Å; D157-M161 WeakPolarHBondContact O-CB 3.49Å; D157-M161 VanDerWaalsContact O-CG 3.23Å; D157-M161 WeakPolarHBondContact O-CG 3.39Å; D157-M161 PolarHBondContact O-N 3.26Å; V159-M161 PolarHBondContact O-N 3.15Å; M161-Q164 PolarHBondContact O-N 3Å; M161-Q165 VanDerWaalsContact O-CB 3.29Å; M161-Q165 WeakPolarHBondContact O-CB 3.17Å; M161-Q165 PolarHBondContact O-N 2.81Å
162A87.5Confident81.6Confident0 Ų062.2 Ų62.20%033%0.326CS..Hα-helixtrans-63.8-45.8176.900000111.9W103 F134 L138 W143 V147 A158 V159 Q165 E166W103-A162 HydrophobicContact CD2-CB 4.35Å; W103-A162 HydrophobicContact CG-CB 4.26Å; F134-A162 HydrophobicContact CE1-CB 4.25Å; F134-A162 HydrophobicContact CZ-CB 4.19Å; L138-A162 HydrophobicContact CD2-CB 4.07Å; W143-A162 HydrophobicContact CH2-CB 4.41Å; W143-A162 HydrophobicContact CZ3-CB 4.05Å; V147-A162 HydrophobicContact CG2-CB 4.45Å; A158-A162 VanDerWaalsContact O-CB 3.23Å; A158-A162 WeakPolarHBondContact O-CB 3.18Å; A158-A162 PolarHBondContact O-N 3.1Å; V159-A162 PolarHBondContact O-N 3.13Å; A162-Q165 PolarHBondContact O-N 2.82Å; A162-E166 VanDerWaalsContact O-CB 3.25Å; A162-E166 WeakPolarHBondContact O-CB 3.35Å; A162-E166 PolarHBondContact O-N 2.87Å
163I86.1Confident80.2Confident83 Ų8366.7 Ų66.743%0.42634%0.342SS..Hα-helixtrans-62.1-46.5176.2-66.9168.2000110.9W103 V159 R160 Q165 E166 A167W103-I163 HydrophobicContact CB-CG1 4.36Å; V159-I163 HydrophobicContact CG1-CD1 3.68Å; V159-I163 HydrophobicContact CG1-CG1 4.41Å; V159-I163 VanDerWaalsContact O-CG1 3.3Å; V159-I163 WeakPolarHBondContact O-CG1 3.23Å; V159-I163 PolarHBondContact O-N 2.77Å; R160-I163 PolarHBondContact O-N 2.58Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; I163-Q165 PolarHBondContact O-N 2.95Å; I163-E166 PolarHBondContact O-N 3.03Å; I163-A167 WeakPolarHBondContact O-CB 3.43Å; I163-A167 PolarHBondContact O-N 3.3Å
164Q81.7Confident78Confident114 Ų11465.8 Ų65.853%0.53335%0.347SS..Hα-helixtrans-60.4-44.1178.6-78.1177.2-17.400112.1R160 M161 T168R160-Q164 WeakPolarHBondContact O-CB 2.89Å; R160-Q164 VanDerWaalsContact O-CG 3.31Å; R160-Q164 WeakPolarHBondContact O-CG 3.38Å; R160-Q164 PolarHBondContact O-N 2.81Å; M161-Q164 PolarHBondContact O-N 3Å; Q164-T168 WeakPolarHBondContact O-CB 3.05Å; Q164-T168 PolarHBondContact O-N 3Å; Q164-T168 PolarHBondContact O-OG1 3.12Å
165Q80.8Confident75.7Confident44 Ų4472.2 Ų72.221%0.20637%0.369CS..Hα-helixtrans-74-38.1-177.9-166.672.613.500111.7W143 V147 M161 A162 I163 T168 E169W143-Q165 HydrophobicContact CB-CG 3.62Å; W143-Q165 HydrophobicContact CD2-CG 4.44Å; W143-Q165 HydrophobicContact CE3-CB 3.93Å; W143-Q165 HydrophobicContact CE3-CG 3.93Å; W143-Q165 HydrophobicContact CG-CG 4.38Å; V147-Q165 HydrophobicContact CG2-CB 4.14Å; M161-Q165 VanDerWaalsContact O-CB 3.29Å; M161-Q165 WeakPolarHBondContact O-CB 3.17Å; M161-Q165 PolarHBondContact O-N 2.81Å; A162-Q165 PolarHBondContact O-N 2.82Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; I163-Q165 PolarHBondContact O-N 2.95Å; Q165-T168 PolarHBondContact O-N 3.43Å; Q165-E169 PolarHBondContact O-N 3.37Å
166E80Confident72.8Confident67 Ų6776.8 Ų76.831%0.31341%0.408SS..Hα-helixtrans-61-44.2172.8-178.9170.1-158.600111.3W103 A162 I163 T168 E169 Q170W103-E166 PolarHBondContact NE1-OE2 2.85Å; A162-E166 VanDerWaalsContact O-CB 3.25Å; A162-E166 WeakPolarHBondContact O-CB 3.35Å; A162-E166 PolarHBondContact O-N 2.87Å; I163-E166 PolarHBondContact O-N 3.03Å; E166-T168 VanDerWaalsContact C-N 3.34Å; E166-T168 PolarHBondContact O-N 2.8Å; E166-E169 PolarHBondContact O-N 3.49Å; E166-Q170 VanDerWaalsContact O-CG 3.3Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.93Å
167A74.8Confident70.2Confident54 Ų5477.4 Ų77.445%0.44642%0.417SS..Hα-helixtrans-62.3-40.417500000112.2I163 Q170 A171I163-A167 WeakPolarHBondContact O-CB 3.43Å; I163-A167 PolarHBondContact O-N 3.3Å; A167-Q170 PolarHBondContact O-N 3.4Å; A167-A171 PolarHBondContact O-N 3.08Å
168T73.7Confident67.6Low59 Ų5984.8 Ų84.836%0.36245%0.451SS..Hα-helixtrans-62.3-45.5176.5-56.10000110.8Q164 Q165 E166 Q170 A171 Y172Q164-T168 WeakPolarHBondContact O-CB 3.05Å; Q164-T168 PolarHBondContact O-N 3Å; Q164-T168 PolarHBondContact O-OG1 3.12Å; Q165-T168 PolarHBondContact O-N 3.43Å; E166-T168 VanDerWaalsContact C-N 3.34Å; E166-T168 PolarHBondContact O-N 2.8Å; T168-Q170 PolarHBondContact O-N 2.85Å; T168-A171 WeakPolarHBondContact O-CB 3.38Å; T168-A171 PolarHBondContact O-N 3.37Å; T168-Y172 HydrophobicContact CG2-CD2 3.96Å; T168-Y172 HydrophobicContact CG2-CE2 3.85Å; T168-Y172 VanDerWaalsContact O-CD2 3.3Å; T168-Y172 WeakPolarHBondContact O-CD2 3.37Å; T168-Y172 PolarHBondContact O-N 3.43Å
169E68.4Low64.9Low52 Ų5289.9 Ų89.924%0.24349%0.486CS..Hα-helixtrans-66.5-37176.9-76.1-56.7169.100113.5W143 Q165 E166 A171 Y172 R173W143-E169 HydrophobicContact CB-CG 3.58Å; W143-E169 HydrophobicContact CG-CG 4.12Å; Q165-E169 PolarHBondContact O-N 3.37Å; E166-E169 PolarHBondContact O-N 3.49Å; E169-A171 VanDerWaalsContact C-N 3.29Å; E169-A171 PolarHBondContact O-N 3.37Å; E169-Y172 PolarHBondContact O-N 3.49Å; E169-R173 WeakPolarHBondContact O-CB 3.37Å; E169-R173 WeakPolarHBondContact O-CG 3.41Å; E169-R173 PolarHBondContact O-N 3.2Å
170Q67.6Low62Low116 Ų11694.2 Ų94.254%0.54252%0.523SS..Hα-helixtrans-63.3-37.7173.7-72.7179.316.900111.3E166 A167 T168 R173E166-Q170 VanDerWaalsContact O-CG 3.3Å; E166-Q170 WeakPolarHBondContact O-CG 3.34Å; E166-Q170 PolarHBondContact O-N 2.93Å; A167-Q170 PolarHBondContact O-N 3.4Å; T168-Q170 PolarHBondContact O-N 2.85Å; Q170-R173 PolarHBondContact O-N 3.49Å
171A67.9Low59.4Low80 Ų8099.4 Ų99.466%0.66154%0.542SS*.Hα-helixtrans-65.4-41.7174.500000112.3A167 T168 E169 R173A167-A171 PolarHBondContact O-N 3.08Å; T168-A171 WeakPolarHBondContact O-CB 3.38Å; T168-A171 PolarHBondContact O-N 3.37Å; E169-A171 VanDerWaalsContact C-N 3.29Å; E169-A171 PolarHBondContact O-N 3.37Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 2.95Å
172Y63.1Low56.7Low174 Ų174102.5 Ų102.568%0.68256%0.559SS**Hα-helixtrans-67.4-27.9175.9-86.9-79.5000113.5T168 E169 G174T168-Y172 HydrophobicContact CG2-CD2 3.96Å; T168-Y172 HydrophobicContact CG2-CE2 3.85Å; T168-Y172 VanDerWaalsContact O-CD2 3.3Å; T168-Y172 WeakPolarHBondContact O-CD2 3.37Å; T168-Y172 PolarHBondContact O-N 3.43Å; E169-Y172 PolarHBondContact O-N 3.49Å; Y172-G174 PolarHBondContact O-N 3.42Å
173R57.6Low54.1Low99 Ų99107.7 Ų107.737%0.37458%0.583SS.*THydrogen-bonded Turntrans-844.8-177.5-78.5-178176167.85.2116E169 Q170 A171 K175E169-R173 WeakPolarHBondContact O-CB 3.37Å; E169-R173 WeakPolarHBondContact O-CG 3.41Å; E169-R173 PolarHBondContact O-N 3.2Å; Q170-R173 PolarHBondContact O-N 3.49Å; A171-R173 VanDerWaalsContact C-N 3.32Å; A171-R173 PolarHBondContact O-N 2.95Å; R173-K175 PolarHBondContact O-N 3.14Å
174G39.6Very low51.6Low67 Ų67108.6 Ų108.669%0.69159%0.592SS**THydrogen-bonded Turntrans6536.6158.200000117.4Y172Y172-G174 PolarHBondContact O-N 3.42Å
175K38.4Very low49.4Very low180 Ų180105 Ų10578%0.78359%0.586SS**  trans-124.795.3162.2-77.5-173178.3-177.50110.4R173 T177R173-K175 PolarHBondContact O-N 3.14Å; K175-T177 PolarHBondContact O-N 3.12Å
176A30.5Very low47.3Very low108 Ų108108.1 Ų108.189%0.89360%0.6SS**  trans-68.292.5164.400000109.1
177T33Very low45.3Very low108 Ų108110 Ų11066%0.66362%0.616SS**  trans-143.298.9169.548.30000111.1K175 S179K175-T177 PolarHBondContact O-N 3.12Å; T177-S179 PolarHBondContact O-N 3.05Å
178H33.7Very low43.6Very low185 Ų185113.6 Ų113.686%0.85662%0.624SS**SBendtrans56-7.2145.2-94.9-77.1000124.4
179S32.9Very low41.8Very low106 Ų106117.5 Ų117.574%0.74164%0.638SS**  trans-102.2-7.5-173.2-150.20000117.2T177T177-S179 PolarHBondContact O-N 3.05Å
180A30.7Very low40.3Very low97 Ų97119.1 Ų119.180%0.80265%0.651SS**THydrogen-bonded Turntrans-929.3-175.500000114.8
181R31.6Very low39.1Very low241 Ų241116 Ų11691%0.90965%0.645SS**THydrogen-bonded Turntrans-107.36-178.3-92.6-174.4-175.9161.91.6114.8
182I30.6Very low37.8Very low119 Ų119113.6 Ų113.661%0.6163%0.625SS**SBendtrans-131.7129.4-170.5-45.9-177000108.9
183H33.3Very low36.6Very low109 Ų109107.6 Ų107.651%0.50561%0.611SS.*SBendtrans97.1-2.8179.1-48.777.3000118.5E186 V187H183-E186 IonicContact CD2-OE1 3.99Å; H183-E186 IonicContact CD2-OE2 3.89Å; H183-E186 PolarHBondContact CD2-OE2 2.84Å; H183-E186 IonicContact NE2-OE1 2.95Å; H183-E186 IonicContact NE2-OE2 2.91Å; H183-E186 PolarHBondContact O-N 3.04Å; H183-V187 WeakPolarHBondContact O-CG2 3.02Å; H183-V187 PolarHBondContact O-N 3.43Å
184V34.5Very low35.7Very low102 Ų102109.4 Ų109.462%0.61863%0.627SS**Hα-helixtrans-66.7-32.6158.1-177.30000109.9V187 E188V184-V187 PolarHBondContact O-N 2.86Å; V184-E188 WeakPolarHBondContact O-CG 3.35Å; V184-E188 PolarHBondContact O-N 2.92Å
185G34.5Very low35.7Very low39 Ų39111 Ų11140%0.40263%0.627SS.*Hα-helixtrans-65.8-32.9173.400000114.2E188 E189G185-E188 CarbonylContact O-C 3.47Å; G185-E188 PolarHBondContact O-N 3.38Å; G185-E189 VanDerWaalsContact O-CB 3.29Å; G185-E189 WeakPolarHBondContact O-CB 3.37Å; G185-E189 PolarHBondContact O-N 3.24Å
186E37.3Very low35.6Very low109 Ų109111.2 Ų111.251%0.50962%0.623SS.*Hα-helixtrans-76.4-29.7175.7-77.4-170.2-18000112.2H183 E188 E189 V190H183-E186 IonicContact CD2-OE1 3.99Å; H183-E186 IonicContact CD2-OE2 3.89Å; H183-E186 PolarHBondContact CD2-OE2 2.84Å; H183-E186 IonicContact NE2-OE1 2.95Å; H183-E186 IonicContact NE2-OE2 2.91Å; H183-E186 PolarHBondContact O-N 3.04Å; E186-E188 VanDerWaalsContact C-N 3.32Å; E186-E189 PolarHBondContact O-N 3.41Å; E186-V190 WeakPolarHBondContact O-CB 3.32Å; E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 2.83Å
187V37.7Very low35.7Very low105 Ų105109.7 Ų109.764%0.63662%0.618SS**Hα-helixtrans-70.4-33.5171.1-179.20000110.4H183 V184 A191H183-V187 WeakPolarHBondContact O-CG2 3.02Å; H183-V187 PolarHBondContact O-N 3.43Å; V184-V187 PolarHBondContact O-N 2.86Å; V187-A191 WeakPolarHBondContact O-CB 3.22Å; V187-A191 PolarHBondContact O-N 3.39Å
188E38.6Very low35.6Very low131 Ų131109.8 Ų109.861%0.61262%0.618SS**Hα-helixtrans-73.2-36.5171.3-74.8177161.500113V184 G185 E186 A192V184-E188 WeakPolarHBondContact O-CG 3.35Å; V184-E188 PolarHBondContact O-N 2.92Å; G185-E188 CarbonylContact O-C 3.47Å; G185-E188 PolarHBondContact O-N 3.38Å; E186-E188 VanDerWaalsContact C-N 3.32Å; E188-A192 WeakPolarHBondContact O-CA 3.22Å; E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.11Å
189E36.9Very low35.3Very low141 Ų141108.4 Ų108.466%0.65962%0.616SS**Hα-helixtrans-76.3-37.2179.3-145.1171.8-159.600111.5G185 E186 A192 A193G185-E189 VanDerWaalsContact O-CB 3.29Å; G185-E189 WeakPolarHBondContact O-CB 3.37Å; G185-E189 PolarHBondContact O-N 3.24Å; E186-E189 PolarHBondContact O-N 3.41Å; E189-A192 PolarHBondContact O-N 2.85Å; E189-A193 WeakPolarHBondContact O-CA 3.27Å; E189-A193 WeakPolarHBondContact O-CB 3.28Å; E189-A193 PolarHBondContact O-N 3.24Å
190V36Very low35.2Very low86 Ų86109 Ų10952%0.52162%0.617SS.*Hα-helixtrans-72.6-39.8172.3174.90000110.6E186 A193 I194E186-V190 WeakPolarHBondContact O-CB 3.32Å; E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 2.83Å; V190-A193 PolarHBondContact O-N 3.25Å; V190-I194 HydrophobicContact CG1-CD1 3.69Å; V190-I194 HydrophobicContact CG1-CG1 4.43Å; V190-I194 VanDerWaalsContact O-CB 3.24Å; V190-I194 WeakPolarHBondContact O-CB 3.24Å; V190-I194 VanDerWaalsContact O-CD1 3.27Å; V190-I194 WeakPolarHBondContact O-CD1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.27Å; V190-I194 PolarHBondContact O-N 2.79Å
191A41.8Very low35Very low50 Ų50113.1 Ų113.141%0.41362%0.62SS.*Hα-helixtrans-67.3-34.8171.500000112.6V187 S195V187-A191 WeakPolarHBondContact O-CB 3.22Å; V187-A191 PolarHBondContact O-N 3.39Å; A191-S195 VanDerWaalsContact O-CB 3.25Å; A191-S195 WeakPolarHBondContact O-CB 3.47Å; A191-S195 PolarHBondContact O-N 3.26Å; A191-S195 PolarHBondContact O-OG 3.22Å
192A42.1Very low34.8Very low29 Ų29113.1 Ų113.124%0.2462%0.62CS.*Hα-helixtrans-78.6-25.8175.700000113.4E188 E189 R196E188-A192 WeakPolarHBondContact O-CA 3.22Å; E188-A192 WeakPolarHBondContact O-CB 3.41Å; E188-A192 PolarHBondContact O-N 3.11Å; E189-A192 PolarHBondContact O-N 2.85Å; A192-R196 VanDerWaalsContact O-CB 3.29Å; A192-R196 WeakPolarHBondContact O-CB 3.3Å; A192-R196 WeakPolarHBondContact O-CG 3.22Å; A192-R196 PolarHBondContact O-N 3.3Å; A192-R196 VanDerWaalsContact O-N 3.1Å; A192-R196 PolarHBondContact O-NE 3.4Å
193A38.1Very low34.7Very low48 Ų48119.2 Ų119.240%0.39764%0.635SS.*Hα-helixtrans-76.2-39.2171.300000111.1E189 V190 S195 R196 G197E189-A193 WeakPolarHBondContact O-CA 3.27Å; E189-A193 WeakPolarHBondContact O-CB 3.28Å; E189-A193 PolarHBondContact O-N 3.24Å; V190-A193 PolarHBondContact O-N 3.25Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.75Å; A193-R196 PolarHBondContact O-N 2.98Å; A193-G197 PolarHBondContact O-N 3.45Å
194I38.8Very low34.4Very low137 Ų137118.2 Ų118.270%0.70366%0.655SS**Hα-helixtrans-65.7-31.2170.9-68.5165.6000111V190V190-I194 HydrophobicContact CG1-CD1 3.69Å; V190-I194 HydrophobicContact CG1-CG1 4.43Å; V190-I194 VanDerWaalsContact O-CB 3.24Å; V190-I194 WeakPolarHBondContact O-CB 3.24Å; V190-I194 VanDerWaalsContact O-CD1 3.27Å; V190-I194 WeakPolarHBondContact O-CD1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.27Å; V190-I194 PolarHBondContact O-N 2.79Å
195S39.5Very low34.2Very low100 Ų100116 Ų11670%0.69965%0.653SS**Hα-helixtrans-84.5-16.1177.3-58.50000115A191 A193A191-S195 VanDerWaalsContact O-CB 3.25Å; A191-S195 WeakPolarHBondContact O-CB 3.47Å; A191-S195 PolarHBondContact O-N 3.26Å; A191-S195 PolarHBondContact O-OG 3.22Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.75Å
196R35.6Very low33.9Very low186 Ų186119.5 Ų119.570%0.70267%0.671SS**Hα-helixtrans-107.6-6.4-177.4-78.2-172.1-82.4-165.4-2.5115.5A192 A193 V198A192-R196 VanDerWaalsContact O-CB 3.29Å; A192-R196 WeakPolarHBondContact O-CB 3.3Å; A192-R196 WeakPolarHBondContact O-CG 3.22Å; A192-R196 PolarHBondContact O-N 3.3Å; A192-R196 VanDerWaalsContact O-N 3.1Å; A192-R196 PolarHBondContact O-NE 3.4Å; A193-R196 PolarHBondContact O-N 2.98Å; R196-V198 WeakPolarHBondContact O-CG2 3.36Å; R196-V198 PolarHBondContact O-N 2.84Å
197G32.8Very low34Very low76 Ų76120.1 Ų120.178%0.78469%0.685SS**  trans61.816.117400000115.3A193A193-G197 PolarHBondContact O-N 3.45Å
198V29.9Very low33.8Very low109 Ų109118.7 Ų118.766%0.66168%0.677SS**  trans-119.2107.2-178177.10000108.3R196R196-V198 WeakPolarHBondContact O-CG2 3.36Å; R196-V198 PolarHBondContact O-N 2.84Å
199L28.4Very low33.5Very low156 Ų156118.6 Ų118.682%0.81768%0.68SS**PPolyproline II helixtrans-68.3135.7167.6-82.5153.4000109.5E201L199-E201 PolarHBondContact O-N 2.97Å
200P30.3Very low33.2Very low118 Ų118122.3 Ų122.377%0.76669%0.689SS**PPolyproline II helixtrans-70.9121.1158.4-5.222.2000108.6
201E26.3Very low32.9Very low185 Ų185125.5 Ų125.586%0.86470%0.698SS**PPolyproline II helixtrans-57.9130.9177.7-62.4177.2137.500112.6L199L199-E201 PolarHBondContact O-N 2.97Å
202R28.1Very low32.4Very low240 Ų240133.9 Ų133.991%0.90672%0.72SS**  trans-165.797.7130.2-103.3170-162.4-140.95.6111.8
203R27.6Very low31.8Very low247 Ų247137.5 Ų137.593%0.93275%0.749SS**  trans5795.1149.4-60.2-173.5-167.2-148.11.5119.8
204G28.4Very low31.7Very low88 Ų88138.3 Ų138.391%0.90776%0.762SS**  116.899.5121.100000117.8
205G29Very low31.8Very low57 Ų57134.4 Ų134.459%0.58875%0.747SS**  trans123.649142.700000121.7
206S27.9Very low31.7Very low111 Ų111136 Ų13678%0.77675%0.747SS**  trans57.1129.3143.7-530000124.2
207P40Very low32.2Very low122 Ų122132.6 Ų132.679%0.79274%0.743SS**  trans-113.5179.517642.4-31.9000115.1
208P34.1Very low32.8Very low75 Ų75134.4 Ų134.449%0.48773%0.731SS.*  -153.7175.612335.6-16000115.7
209I32.2Very low33.4Very low129 Ų129133.8 Ų133.866%0.66273%0.727SS**  cis-173.8141.7-22.4-87.6160.3000105.2
210Y29.5Very low34.8Very low220 Ų220133.9 Ų133.986%0.86372%0.717SS**  169.9142.3126-96.5-70.2000114.4
211Q30.7Very low35.9Very low152 Ų152130.6 Ų130.671%0.7170%0.699SS**  trans-104.4160.5-157.5-57.7160.6-2900114.5
212R31.5Very low36.8Very low227 Ų227126.8 Ų126.886%0.85768%0.684SS**  157.5136.5105.5-104.1176.2-179.7179.9-0.8116.6
213A29.3Very low38.2Very low105 Ų105123.8 Ų123.887%0.86867%0.673SS**  trans71.8117.3136.700000123.1
214G34.9Very low39.7Very low64 Ų64117 Ų11766%0.6666%0.655SS**  trans-161.2135.7157.200000108.5
215S41.7Very low41.2Very low56 Ų56118.7 Ų118.739%0.39264%0.64SS.*  trans-77.2154.7-161.770.70000114.4D217 E218 V219S215-D217 PolarHBondContact O-N 2.86Å; S215-E218 PolarHBondContact N-OE2 3.35Å; S215-E218 PolarHBondContact O-N 3.03Å; S215-E218 VanDerWaalsContact O-N 3.16Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 2.89Å; S215-E218 PolarHBondContact OG-OE2 3.37Å; S215-E218 VanDerWaalsContact OG-OE2 3.14Å; S215-V219 PolarHBondContact O-N 3.26Å
216L38.1Very low42.2Very low132 Ų132119.2 Ų119.269%0.69163%0.631SS**Hα-helixtrans-60.3-25.8176.8-161.176.7000112.8R220L216-R220 PolarHBondContact O-N 3.34Å; L216-R220 VanDerWaalsContact O-N 3.16Å
217D45.4Very low43.9Very low116 Ų116117.3 Ų117.362%0.6261%0.612SS**Hα-helixtrans-76.1-34.1178-70-37.8000112.4S215 V219 R220 A221S215-D217 PolarHBondContact O-N 2.86Å; D217-V219 VanDerWaalsContact C-N 3.33Å; D217-R220 PolarHBondContact O-N 2.96Å; D217-A221 WeakPolarHBondContact O-CB 3.35Å; D217-A221 PolarHBondContact O-N 3.4Å
218E45.3Very low44.6Very low113 Ų113116.1 Ų116.153%0.52860%0.596SS.*Hα-helixtrans-66.4-37173.2-73.6166.1146.700111.3S215 A221 L222S215-E218 PolarHBondContact N-OE2 3.35Å; S215-E218 PolarHBondContact O-N 3.03Å; S215-E218 VanDerWaalsContact O-N 3.16Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 2.89Å; S215-E218 PolarHBondContact OG-OE2 3.37Å; S215-E218 VanDerWaalsContact OG-OE2 3.14Å; E218-A221 PolarHBondContact O-N 3.34Å; E218-L222 WeakPolarHBondContact O-CB 3.26Å; E218-L222 PolarHBondContact O-N 2.97Å
219V42.8Very low45.3Very low97 Ų97117.6 Ų117.659%0.58860%0.599SS**Hα-helixtrans-68-36.1174.4-178.90000111.3S215 D217 R223S215-V219 PolarHBondContact O-N 3.26Å; D217-V219 VanDerWaalsContact C-N 3.33Å; V219-R223 WeakPolarHBondContact O-CB 3.3Å; V219-R223 PolarHBondContact O-N 3.13Å; V219-R223 VanDerWaalsContact O-N 3.07Å
220R57.1Low46.3Very low158 Ų158117 Ų11760%0.59659%0.592SS**Hα-helixtrans-67.9-41.6172.2-86.1-175.5-168.4-172.84.5112.7L216 D217 R223 N224L216-R220 PolarHBondContact O-N 3.34Å; L216-R220 VanDerWaalsContact O-N 3.16Å; D217-R220 PolarHBondContact O-N 2.96Å; R220-R223 WeakPolarHBondContact O-CB 3.47Å; R220-R223 PolarHBondContact O-N 3.34Å; R220-N224 PolarHBondContact O-N 3.17Å
221A54.2Low48Very low48 Ų48112.5 Ų112.540%0.39757%0.573SS.*Hα-helixtrans-61.7-4617800000111.1D217 E218 R223 N224 E225D217-A221 WeakPolarHBondContact O-CB 3.35Å; D217-A221 PolarHBondContact O-N 3.4Å; E218-A221 PolarHBondContact O-N 3.34Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 3.3Å; A221-N224 PolarHBondContact O-N 3.47Å; A221-E225 PolarHBondContact O-N 3.47Å
222L46Very low49.1Very low106 Ų106109.4 Ų109.456%0.55556%0.56SS**Hα-helixtrans-60.7-38.8173.7-100.7143.6000112.7E218 E225 V226E218-L222 WeakPolarHBondContact O-CB 3.26Å; E218-L222 PolarHBondContact O-N 2.97Å; L222-E225 PolarHBondContact O-N 3.01Å; L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 2.87Å
223R55.7Low49.9Very low176 Ų176104.5 Ų104.566%0.66455%0.548SS*.Hα-helixtrans-64.1-43.9175.4-170.4178-171.4176.15.6111.9V219 R220 A221 V226 D227V219-R223 WeakPolarHBondContact O-CB 3.3Å; V219-R223 PolarHBondContact O-N 3.13Å; V219-R223 VanDerWaalsContact O-N 3.07Å; R220-R223 WeakPolarHBondContact O-CB 3.47Å; R220-R223 PolarHBondContact O-N 3.34Å; A221-R223 VanDerWaalsContact C-N 3.32Å; A221-R223 PolarHBondContact O-N 3.3Å; R223-V226 PolarHBondContact O-N 3.39Å; R223-D227 PolarHBondContact O-N 2.88Å
224N61Low51.1Low105 Ų105105.9 Ų105.956%0.56154%0.537SS*.Hα-helixtrans-64.8-40.5177.7-69.1-15.9000111.6R220 A221 D227 E228R220-N224 PolarHBondContact O-N 3.17Å; A221-N224 PolarHBondContact O-N 3.47Å; N224-D227 PolarHBondContact O-N 3.02Å; N224-E228 WeakPolarHBondContact O-CB 3.37Å; N224-E228 PolarHBondContact O-N 2.91Å
225E58.3Low51.9Low124 Ų124107.3 Ų107.358%0.57953%0.527SS*.Hα-helixtrans-63.9-40174.7-75.4-178.1177.500112.3A221 L222 E228 L229A221-E225 PolarHBondContact O-N 3.47Å; L222-E225 PolarHBondContact O-N 3.01Å; E225-E228 PolarHBondContact O-N 3.21Å; E225-L229 WeakPolarHBondContact O-CB 3.49Å; E225-L229 PolarHBondContact O-N 3.45Å
226V51.5Low52.1Low68 Ų68109.9 Ų109.941%0.41253%0.533SS..Hα-helixtrans-66.7-40.3175.61690000111.5L222 R223 L229 K230L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 3.44Å; L222-V226 PolarHBondContact O-N 2.87Å; R223-V226 PolarHBondContact O-N 3.39Å; V226-L229 PolarHBondContact O-N 2.8Å; V226-K230 WeakPolarHBondContact O-CG 3.48Å; V226-K230 PolarHBondContact O-N 3.48Å
227D62Low52.4Low71 Ų71107.7 Ų107.738%0.3853%0.529SS..Hα-helixtrans-70.5-32.9177.3-72.9-23.2000111.9R223 N224 K230 R231R223-D227 PolarHBondContact O-N 2.88Å; N224-D227 PolarHBondContact O-N 3.02Å; D227-K230 PolarHBondContact O-N 2.97Å; D227-K230 IonicContact OD1-NZ 3.02Å; D227-K230 PolarHBondContact OD1-NZ 3.26Å; D227-R231 PolarHBondContact O-N 3.32Å
228E55.8Low52.2Low97 Ų97108.6 Ų108.645%0.45353%0.533SS..Hα-helixtrans-69.8-39.6172.5-168136.9-137.200112N224 E225 R231 M232N224-E228 WeakPolarHBondContact O-CB 3.37Å; N224-E228 PolarHBondContact O-N 2.91Å; E225-E228 PolarHBondContact O-N 3.21Å; E228-R231 PolarHBondContact O-N 3.07Å; E228-R231 IonicContact OE1-CZ 2.96Å; E228-R231 IonicContact OE1-NH1 2.77Å; E228-R231 IonicContact OE1-NH2 3.36Å; E228-R231 PolarHBondContact OE1-NH2 3.34Å; E228-M232 WeakPolarHBondContact O-CG 3.29Å; E228-M232 PolarHBondContact O-N 3.02Å
229L47.9Very low51.9Low105 Ų105111.3 Ų111.355%0.5555%0.546SS..Hα-helixtrans-61.9-40.7170.4-101.5150.3000112E225 V226 M232 M233E225-L229 WeakPolarHBondContact O-CB 3.49Å; E225-L229 PolarHBondContact O-N 3.45Å; V226-L229 PolarHBondContact O-N 2.8Å; L229-M232 PolarHBondContact O-N 3.19Å; L229-M233 WeakPolarHBondContact O-CB 3.22Å; L229-M233 VanDerWaalsContact O-CG 3.24Å; L229-M233 WeakPolarHBondContact O-CG 3.27Å; L229-M233 PolarHBondContact O-N 3.48Å
230K54.4Low51.7Low118 Ų118113.5 Ų113.551%0.51355%0.554SS.*Hα-helixtrans-62.4-41.8172.7-76.1173.6-172.8164.60111.7V226 D227 M233 Q234V226-K230 WeakPolarHBondContact O-CG 3.48Å; V226-K230 PolarHBondContact O-N 3.48Å; D227-K230 PolarHBondContact O-N 2.97Å; D227-K230 IonicContact OD1-NZ 3.02Å; D227-K230 PolarHBondContact OD1-NZ 3.26Å; K230-M233 PolarHBondContact O-N 3.38Å; K230-Q234 PolarHBondContact O-N 3.15Å
231R63.6Low50.5Low124 Ų124109.2 Ų109.247%0.46855%0.548SS..Hα-helixtrans-63.3-45.9176.3-163.1-178.175.9-140.2-12111.1D227 E228 M233 Q234 E235D227-R231 PolarHBondContact O-N 3.32Å; E228-R231 PolarHBondContact O-N 3.07Å; E228-R231 IonicContact OE1-CZ 2.96Å; E228-R231 IonicContact OE1-NH1 2.77Å; E228-R231 IonicContact OE1-NH2 3.36Å; E228-R231 PolarHBondContact OE1-NH2 3.34Å; R231-M233 VanDerWaalsContact C-N 3.33Å; R231-M233 PolarHBondContact O-N 2.94Å; R231-Q234 PolarHBondContact O-N 3.39Å; R231-E235 IonicContact NE-OE1 3.72Å; R231-E235 PolarHBondContact NE-OE1 2.99Å; R231-E235 WeakPolarHBondContact O-CB 3.43Å; R231-E235 WeakPolarHBondContact O-CG 2.99Å; R231-E235 PolarHBondContact O-N 3.33Å
232M54.1Low49.4Very low88 Ų88112.5 Ų112.543%0.43357%0.565SS.*Hα-helixtrans-63.2-36.7175.6-71.9179.468.300112.6E228 L229 M236E228-M232 WeakPolarHBondContact O-CG 3.29Å; E228-M232 PolarHBondContact O-N 3.02Å; L229-M232 PolarHBondContact O-N 3.19Å; M232-M236 WeakPolarHBondContact O-CB 3.43Å; M232-M236 WeakPolarHBondContact O-CG 3.03Å; M232-M236 PolarHBondContact O-N 2.86Å
233M50Low48.7Very low123 Ų123115.5 Ų115.561%0.60658%0.581SS**Hα-helixtrans-68.7-38.7174.2-74.6-179.668.100112.2L229 K230 R231 M236 S237L229-M233 WeakPolarHBondContact O-CB 3.22Å; L229-M233 VanDerWaalsContact O-CG 3.24Å; L229-M233 WeakPolarHBondContact O-CG 3.27Å; L229-M233 PolarHBondContact O-N 3.48Å; K230-M233 PolarHBondContact O-N 3.38Å; R231-M233 VanDerWaalsContact C-N 3.33Å; R231-M233 PolarHBondContact O-N 2.94Å; M233-M236 HydrophobicContact CG-CE 4.38Å; M233-S237 WeakPolarHBondContact O-CB 3.27Å; M233-S237 PolarHBondContact O-N 3.41Å
234Q54.5Low47.6Very low134 Ų134111 Ų11163%0.62658%0.582SS**Hα-helixtrans-65.8-42.9172.1-79178.2-19.700111.8K230 R231 S237 L238K230-Q234 PolarHBondContact O-N 3.15Å; R231-Q234 PolarHBondContact O-N 3.39Å; Q234-S237 WeakPolarHBondContact O-CB 3.37Å; Q234-S237 PolarHBondContact O-N 2.77Å; Q234-L238 VanDerWaalsContact O-CG 3.29Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.13Å
235E50.2Low46.2Very low95 Ų95113.2 Ų113.244%0.44460%0.598SS.*Hα-helixtrans-64.3-41.8176.1-75.3173.6-166.600112.2R231 S237 L238 Q239R231-E235 IonicContact NE-OE1 3.72Å; R231-E235 PolarHBondContact NE-OE1 2.99Å; R231-E235 WeakPolarHBondContact O-CB 3.43Å; R231-E235 WeakPolarHBondContact O-CG 2.99Å; R231-E235 PolarHBondContact O-N 3.33Å; E235-S237 VanDerWaalsContact C-N 3.33Å; E235-L238 PolarHBondContact O-N 3.15Å; E235-Q239 WeakPolarHBondContact O-CG 3.25Å; E235-Q239 PolarHBondContact O-N 3.49Å
236M46.1Very low44.8Very low109 Ų109110.4 Ų110.454%0.53760%0.603SS.*Hα-helixtrans-65-37.1172.3-81.8-168.1-52.100112.1M232 M233 L238 Q239 L240M232-M236 WeakPolarHBondContact O-CB 3.43Å; M232-M236 WeakPolarHBondContact O-CG 3.03Å; M232-M236 PolarHBondContact O-N 2.86Å; M233-M236 HydrophobicContact CG-CE 4.38Å; M236-L238 VanDerWaalsContact C-N 3.27Å; M236-L238 PolarHBondContact O-N 3.32Å; M236-Q239 PolarHBondContact O-N 3.27Å; M236-L240 WeakPolarHBondContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CD1 3.28Å; M236-L240 WeakPolarHBondContact O-CG 3.33Å; M236-L240 PolarHBondContact O-N 3.23Å; M236-L240 VanDerWaalsContact O-N 3.09Å
237S44.2Very low43.8Very low86 Ų86114.6 Ų114.660%0.60162%0.623SS**Hα-helixtrans-67.4-28.4175-160.50000112.3M233 Q234 E235M233-S237 WeakPolarHBondContact O-CB 3.27Å; M233-S237 PolarHBondContact O-N 3.41Å; Q234-S237 WeakPolarHBondContact O-CB 3.37Å; Q234-S237 PolarHBondContact O-N 2.77Å; E235-S237 VanDerWaalsContact C-N 3.33Å
238L42.5Very low42.1Very low135 Ų135120 Ų12071%0.70765%0.645SS**Hα-helixtrans-79.1-30.2174.2-70.9165.6000112.8Q234 E235 M236Q234-L238 VanDerWaalsContact O-CG 3.29Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.13Å; E235-L238 PolarHBondContact O-N 3.15Å; M236-L238 VanDerWaalsContact C-N 3.27Å; M236-L238 PolarHBondContact O-N 3.32Å
239Q38.3Very low40.8Very low170 Ų170118.8 Ų118.879%0.79466%0.659SS**Hα-helixtrans-82.4-15175.9-69.5-168-3.200114.1E235 M236E235-Q239 WeakPolarHBondContact O-CG 3.25Å; E235-Q239 PolarHBondContact O-N 3.49Å; M236-Q239 PolarHBondContact O-N 3.27Å
240L37.9Very low39.9Very low143 Ų143124.2 Ų124.275%0.74967%0.672SS**THydrogen-bonded Turntrans-96.716.6176.9-71.5165.6000113.5M236 P242M236-L240 WeakPolarHBondContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CD1 3.28Å; M236-L240 WeakPolarHBondContact O-CG 3.33Å; M236-L240 PolarHBondContact O-N 3.23Å; M236-L240 VanDerWaalsContact O-N 3.09Å; L240-P242 WeakPolarHBondContact O-CD 3.49Å
241S33.1Very low38.6Very low68 Ų68126.5 Ų126.548%0.47668%0.684SS.*  trans-108.195.6172.1148.10000110.5
242P29.8Very low36.9Very low118 Ų118125.2 Ų125.277%0.76669%0.694SS**SBendtrans-87.32.1176.5-11.930000115.3L240L240-P242 WeakPolarHBondContact O-CD 3.49Å
243L32.3Very low35.7Very low168 Ų168126.6 Ų126.688%0.8871%0.708SS**SBendtrans-148.312.8-155.2-83165.8000119.4
244A33Very low34.9Very low82 Ų82130 Ų13068%0.67872%0.722SS**SBendtrans-116.5-2.1-167.900000119.4
245V30.5Very low33.6Very low151 Ų151126.5 Ų126.592%0.91572%0.722SS**SBendtrans-142.994.8179.3-174.20000110.4
246G28.7Very low32.8Very low66 Ų66128.3 Ų128.368%0.6874%0.742SS**  trans161.687.2177.300000114.6
247L30.9Very low32Very low156 Ų156134.6 Ų134.682%0.81776%0.76SS**  trans76.277.8142.2-58.4160.9000117.6
248H27.2Very low31.5Very low183 Ų183135.1 Ų135.185%0.84777%0.77SS**  34.7114.497.1-57.174.2000115.9
249G27.9Very low31.4Very low72 Ų72133.2 Ų133.274%0.74276%0.763SS**  trans149.281.3156.300000114
250R28.2Very low31.5Very low220 Ų220127.2 Ų127.283%0.8375%0.747SS**  140.6110.2119-81.9-178.1171.6-166.3-3.6112.1
251Q28.5Very low32.1Very low166 Ų166131.1 Ų131.178%0.77675%0.752SS**  51.3111.1120-61.5170.7-17.600115.5
252S28.1Very low33.1Very low96 Ų96130.2 Ų130.267%0.67175%0.748SS**  151117.287.6-1560000109.6
253T29.1Very low35.1Very low118 Ų118132.6 Ų132.672%0.72474%0.742SS**  trans51.3103.2132.964.20000117.9
254E32Very low37.2Very low194 Ų194124.7 Ų124.791%0.90770%0.701SS**  -171.9131119.1-102.6178.3-165.600111
255G28.4Very low39Very low61 Ų61130.1 Ų130.163%0.62971%0.71SS**  trans-76.9-158.617800000114.4R257G255-R257 PolarHBondContact O-N 3.13Å
256P31.6Very low41Very low132 Ų132125.3 Ų125.386%0.85768%0.683SS**  -93.895.8-128.134.8-34.1000113.2
257R29.4Very low43.6Very low241 Ų241123.1 Ų123.191%0.90966%0.657SS**  trans-148.775-173.8-67.1-174.7176.8166.3-1.3115G255G255-R257 PolarHBondContact O-N 3.13Å
258A34.9Very low45.8Very low98 Ų98117.5 Ų117.581%0.8164%0.636SS**SBendtrans-145.7-9.4157.800000116.3G260A258-G260 PolarHBondContact O-N 3.2Å
259V40.5Very low48.2Very low94 Ų94117.4 Ų117.457%0.5763%0.629SS**THydrogen-bonded Turntrans-8815.2169.1-161.80000111.9
260G40.5Very low50.6Low44 Ų44121 Ų12145%0.45462%0.62SS.*THydrogen-bonded Turntrans-96.8-6.5-172.600000116.7A258A258-G260 PolarHBondContact O-N 3.2Å
261R50.4Low52.7Low226 Ų226113 Ų11385%0.85361%0.605SS**SBendtrans-116.1-23.5179.2-76.1-174-179.4-174.40.9115R263R261-R263 PolarHBondContact O-N 2.8Å
262A53.7Low55.2Low48 Ų48106.6 Ų106.640%0.39758%0.576SS.*PPolyproline II helixtrans-76.5124.2178.500000111.1
263R71.7Confident57.5Low168 Ų168106.2 Ų106.263%0.63457%0.565SS**BIsolated β-bridgetrans-83.1136.6168.9-70.9-177.4-171-126.85108.6R261 F265 R270R261-R263 PolarHBondContact O-N 2.8Å; R263-F265 PolarHBondContact O-N 2.96Å; R263-F265 VanDerWaalsContact O-N 3.15Å; R263-R270 HydrophobicContact CG-CG 4.32Å
264C76.3Confident59.6Low3 Ų3108.1 Ų108.12%0.0256%0.559CS.*PPolyproline II helixtrans-59.4117.81691730000109.7S266 C267 G268 R269 H272C264-S266 PolarHBondContact O-N 3.32Å; C264-C267 PolarHBondContact O-N 3.07Å; C264-C267 VanDerWaalsContact SG-SG 3.67Å; C264-G268 WeakPolarHBondContact O-CA 3.25Å; C264-G268 PolarHBondContact O-N 3.28Å; C264-R269 VanDerWaalsContact CB-O 3.3Å; C264-R269 WeakPolarHBondContact CB-O 3.45Å; C264-R269 PolarHBondContact N-O 3.27Å; C264-H272 WeakPolarHBondContact CB-NE2 3.29Å; C264-H272 PolarHBondContact SG-NE2 3.18Å
265F71.5Confident61.2Low196 Ų196106.4 Ų106.486%0.8655%0.549SS*.THydrogen-bonded Turntrans-62.4-8.4-180-73.9-85.7000114.6R263R263-F265 PolarHBondContact O-N 2.96Å; R263-F265 VanDerWaalsContact O-N 3.15Å
266S71.7Confident63.4Low50 Ų50107.6 Ų107.635%0.3554%0.541SS..THydrogen-bonded Turntrans-105.7-34.6177.7-140.50000114.2C264 M280C264-S266 PolarHBondContact O-N 3.32Å; S266-M280 WeakPolarHBondContact OG-CG 3.37Å; S266-M280 PolarHBondContact OG-SD 2.72Å
267C83.4Confident65.6Low20 Ų20101.3 Ų101.314%0.13550%0.5CS..THydrogen-bonded Turntrans-120.8-1.5-178.678.60000115.3C264 R269 H272 C277 R279C264-C267 PolarHBondContact O-N 3.07Å; C264-C267 VanDerWaalsContact SG-SG 3.67Å; C267-R269 PolarHBondContact O-N 3.34Å; C267-H272 PolarHBondContact SG-CE1 3.26Å; C267-H272 PolarHBondContact SG-NE2 3.35Å; C267-C277 VanDerWaalsContact CB-SG 3.52Å; C267-R279 HydrophobicContact CB-CB 3.96Å
268G76.3Confident67.7Low38 Ų3894.1 Ų94.139%0.39248%0.484SS..  trans70.4-8.6179.200000115.7C264C264-G268 WeakPolarHBondContact O-CA 3.25Å; C264-G268 PolarHBondContact O-N 3.28Å
269R77.6Confident69.3Low181 Ų18198.1 Ų98.168%0.68348%0.479SS*.  trans-77.9145.9179.4-60.2-177.8-175.7-174.80.4111.1C264 C267C264-R269 VanDerWaalsContact CB-O 3.3Å; C264-R269 WeakPolarHBondContact CB-O 3.45Å; C264-R269 PolarHBondContact N-O 3.27Å; C267-R269 PolarHBondContact O-N 3.34Å
270R79Confident70.3Confident148 Ų14897 Ų9756%0.55847%0.468SS*.BIsolated β-bridgetrans-80160.9174.2-70.5-177.3164-176.5-1.7110.7R263R263-R270 HydrophobicContact CG-CG 4.32Å
271G72.1Confident71.2Confident51 Ų51102.1 Ų102.153%0.52648%0.48SS..SBendtrans960.6172.900000116.4
272H81.8Confident71.4Confident32 Ų3295.3 Ų95.315%0.14847%0.472CS..SBendtrans-155.4160.1173.965.9-86.9000111.8C264 C267 D276 C277C264-H272 WeakPolarHBondContact CB-NE2 3.29Å; C264-H272 PolarHBondContact SG-NE2 3.18Å; C267-H272 PolarHBondContact SG-CE1 3.26Å; C267-H272 PolarHBondContact SG-NE2 3.35Å; H272-D276 HydrophobicContact CB-CB 4.16Å; H272-D276 PolarHBondContact CD2-O 3.22Å; H272-C277 VanDerWaalsContact CD2-CA 3.44Å; H272-C277 WeakPolarHBondContact CD2-CA 3.39Å
273L75.2Confident71.3Confident88 Ų8896.9 Ų96.946%0.46149%0.485SS..  trans-93.4164.6176-65.7170.1000111K275 D276 C277L273-K275 HydrophobicContact CB-CG 4.11Å; L273-K275 PolarHBondContact O-N 3.4Å; L273-K275 VanDerWaalsContact O-N 3.08Å; L273-D276 CarbonylContact O-C 3.55Å; L273-D276 WeakPolarHBondContact O-CA 3.22Å; L273-D276 PolarHBondContact O-N 2.9Å; L273-C277 PolarHBondContact O-N 3.04Å
274R75Confident69.8Low158 Ų15897.2 Ų97.260%0.59649%0.494SS*.G310 helixtrans-50.1-37.6179.7173.8171.1179174.1-0.7113.3D276 C277R274-D276 VanDerWaalsContact C-N 3.26Å; R274-D276 PolarHBondContact O-N 3.32Å; R274-C277 VanDerWaalsContact O-CB 3.26Å; R274-C277 WeakPolarHBondContact O-CB 3.39Å; R274-C277 PolarHBondContact O-N 3.4Å
275K65.2Low68Low157 Ų157108.4 Ų108.468%0.68354%0.536SS*.G310 helixtrans-66.5-23.3177.463178-176.2178.60114.2L273L273-K275 HydrophobicContact CB-CG 4.11Å; L273-K275 PolarHBondContact O-N 3.4Å; L273-K275 VanDerWaalsContact O-N 3.08Å
276D73.8Confident66.1Low86 Ų86105.1 Ų105.146%0.4654%0.536SS..G310 helixtrans-109.222.1-178.3-51.6-51.2000110.8H272 L273 R274 P278H272-D276 HydrophobicContact CB-CB 4.16Å; H272-D276 PolarHBondContact CD2-O 3.22Å; L273-D276 CarbonylContact O-C 3.55Å; L273-D276 WeakPolarHBondContact O-CA 3.22Å; L273-D276 PolarHBondContact O-N 2.9Å; R274-D276 VanDerWaalsContact C-N 3.26Å; R274-D276 PolarHBondContact O-N 3.32Å; D276-P278 VanDerWaalsContact O-CD 3.32Å; D276-P278 WeakPolarHBondContact O-CD 3.27Å
277C77.4Confident64.3Low1 Ų1108.1 Ų108.11%0.00755%0.554CS.*  trans-81.2116.1-173-171.90000112.7C267 H272 L273 R274 R279 M280 Q281C267-C277 VanDerWaalsContact CB-SG 3.52Å; H272-C277 VanDerWaalsContact CD2-CA 3.44Å; H272-C277 WeakPolarHBondContact CD2-CA 3.39Å; L273-C277 PolarHBondContact O-N 3.04Å; R274-C277 VanDerWaalsContact O-CB 3.26Å; R274-C277 WeakPolarHBondContact O-CB 3.39Å; R274-C277 PolarHBondContact O-N 3.4Å; C277-R279 PolarHBondContact O-N 3.27Å; C277-R279 VanDerWaalsContact O-N 3.09Å; C277-M280 HydrophobicContact CB-CB 4.28Å; C277-M280 HydrophobicContact CB-CG 4.09Å; C277-M280 PolarHBondContact O-N 3.03Å; C277-M280 VanDerWaalsContact O-N 3.11Å; C277-Q281 PolarHBondContact O-N 3.01Å
278P73.3Confident61.8Low89 Ų89113.5 Ų113.558%0.57858%0.582SS**THydrogen-bonded Turntrans-60.9-24.9178.7-20.231.5000113.1D276D276-P278 VanDerWaalsContact O-CD 3.32Å; D276-P278 WeakPolarHBondContact O-CD 3.27Å
279R68.5Low59.5Low182 Ų182121.5 Ų121.569%0.68760%0.6SS**THydrogen-bonded Turntrans-78.4-24.4-178.9-147.1179.8-177.7176.60.5113.1C267 C277C267-R279 HydrophobicContact CB-CB 3.96Å; C277-R279 PolarHBondContact O-N 3.27Å; C277-R279 VanDerWaalsContact O-N 3.09Å
280M61.7Low57.4Low70 Ų70122.9 Ų122.935%0.34561%0.607SS.*THydrogen-bonded Turntrans-84.1-29.7176.9-70.1-121.768.600112.1S266 C277 A282S266-M280 WeakPolarHBondContact OG-CG 3.37Å; S266-M280 PolarHBondContact OG-SD 2.72Å; C277-M280 HydrophobicContact CB-CB 4.28Å; C277-M280 HydrophobicContact CB-CG 4.09Å; C277-M280 PolarHBondContact O-N 3.03Å; C277-M280 VanDerWaalsContact O-N 3.11Å; M280-A282 PolarHBondContact O-N 3.02Å
281Q59.4Low55.1Low153 Ų153120.8 Ų120.872%0.71561%0.61SS**THydrogen-bonded Turntrans-74.5-5.8177.8-66.2-178.80.800113.7C277C277-Q281 PolarHBondContact O-N 3.01Å
282A54.9Low53.2Low83 Ų83127.5 Ų127.569%0.68663%0.625SS**THydrogen-bonded Turntrans-99.7-10.1-179.300000114.9M280M280-A282 PolarHBondContact O-N 3.02Å
283A51.2Low50.9Low81 Ų81131 Ų13167%0.66965%0.651SS**SBendtrans-105.8-7-169.100000116.2
284E41.3Very low48.6Very low174 Ų174138.4 Ų138.481%0.81367%0.673SS**  trans-109.138.1-171.3-70.2-175.6165.200114.7
285R38.7Very low46.7Very low238 Ų238138.1 Ų138.190%0.89868%0.683SS**  trans-100.7104.2169.5-72.2-173.9-177.4-168.51.2111.9
286C30.3Very low45.3Very low127 Ų127139.7 Ų139.786%0.85869%0.69SS**  trans76.7158.8147.3-104.50000121
287P34.1Very low43.3Very low114 Ų114139.4 Ų139.474%0.7470%0.695SS**  -131.1177.8-112.735.7-14.3000116.6
288D30.1Very low41.3Very low133 Ų133147.1 Ų147.171%0.71174%0.735SS**  trans103.9131.1146.6-122.926.3000121.6
289R30Very low39.5Very low205 Ų205149.1 Ų149.177%0.77474%0.741SS**  trans62.8121.2157.2-62.9175-170-151.2-2.7121
290Y33.1Very low37.9Very low211 Ų211143.9 Ų143.983%0.82774%0.736SS**  169.1130.4111.4-103.5-93.6000112.6
291T30.7Very low36.5Very low103 Ų103151 Ų15163%0.63276%0.761SS**  trans-8.7155.4150.663.90000119.7
292K31.8Very low35.4Very low193 Ų193148.4 Ų148.484%0.83976%0.757SS**  178.9170.150.7-129.1153.3-174.4-168.40110.5
293P32.3Very low34.2Very low106 Ų106150.6 Ų150.669%0.68876%0.761SS**  trans-108.5175-161.341-30.8000115.8
294W28.3Very low33.3Very low243 Ų243151.9 Ų151.992%0.9276%0.761SS**  trans-127133169.3-94.363.4000113
295N33.7Very low32.8Very low152 Ų152150.5 Ų150.581%0.81376%0.759SS**  trans-92.1164-179.8-96.2-19.2000112.9
296K37.1Very low32.5Very low190 Ų190143.5 Ų143.583%0.82675%0.752SS**  trans160.8150.2133.9-91.9172.2-178.5-174.70110.6
297S32.5Very low32.4Very low80 Ų80148.4 Ų148.456%0.55975%0.752SS**  cis-170.7160.9-29.772.40000106.3
298L33.8Very low32.4Very low163 Ų163153.8 Ų153.885%0.85376%0.758SS**  trans172.378.1152.2-94.5159000104.1
299D35.7Very low32.4Very low131 Ų131154.8 Ų154.870%0.70176%0.764SS**  67.3131.185.8-61.5-33.9000111.1
300A35.1Very low32.5Very low71 Ų71150.4 Ų150.459%0.58776%0.764SS**  cis-169.2162.34.500000106.1
301Y31.9Very low32.4Very low220 Ų220148.1 Ų148.186%0.86377%0.767SS**  -171.2165.452.7-101.7-77000108.6
302P36.6Very low32.4Very low98 Ų98147.9 Ų147.964%0.63678%0.775SS**  -144.1-162.7-118.436.3-9.5000114.3
303V29.9Very low32.2Very low129 Ų129143.2 Ų143.278%0.78277%0.772SS**  trans81.7132.6147.61660000117.4
304V32.2Very low31.8Very low108 Ų108144.2 Ų144.266%0.65578%0.781SS**  cis-167.1145.40.9139.10000110.6
305N30.3Very low31.7Very low145 Ų145136.4 Ų136.478%0.77577%0.768SS**  trans17.2143.5150.2-52.9-36.8000120.6
306A32.5Very low31.4Very low91 Ų91136.4 Ų136.475%0.75277%0.768SS**  177.9130.867.700000112
307R29.8Very low31Very low230 Ų230132.8 Ų132.887%0.86876%0.761SS**  trans11.8138.4135.7-64.1174.2174.7179.3-2.2117.4
308R33Very low30.7Very low227 Ų227135.9 Ų135.986%0.85778%0.777SS**  -177.1151.752.3-129.1167-172.2177.60.9110.8
309N30.2Very low30.4Very low155 Ų155137.3 Ų137.383%0.82978%0.776SS**  trans-4.2129.8163-74.3-5.7000120.1
310S33Very low29.9Very low113 Ų113139.7 Ų139.779%0.7979%0.785SS**  171.2133.4103.4520000111.5
311N30.9Very low29.7Very low163 Ų163141 Ų14187%0.87280%0.796SS**  trans24135.9153.5-66.3-12.5000121.6
312A29.3Very low29.3Very low98 Ų98141.9 Ų141.981%0.8180%0.799SS**  trans84.8127153.500000118.2
313A27.8Very low29.1Very low95 Ų95141.8 Ų141.879%0.78581%0.807SS**  trans63125.4148.500000119.9
314C23.7Very low29Very low127 Ų127144.6 Ų144.686%0.85881%0.808SS**  trans70.6126.8141.5-138.60000119.6
315A27Very low28.9Very low79 Ų79147.6 Ų147.665%0.65382%0.815SS**  trans54119.6148.700000119.3
316D27.3Very low28.7Very low151 Ų151146.7 Ų146.781%0.80782%0.821SS**  -158.8111.4123.5-102.9-29000114.8
317T27.9Very low28.5Very low114 Ų114146.2 Ų146.270%0.69982%0.824SS**  trans21118.8137.339.60000120.8
318V26.6Very low28.4Very low146 Ų146139 Ų13989%0.88582%0.822SS**  trans-102.4114.4140.9177.60000108.2M320V318-M320 PolarHBondContact O-N 3.01Å
319K27.4Very low28.2Very low192 Ų192132.6 Ų132.684%0.83582%0.817SS**  trans-55.2120.3178-67.5170.2175.5174.30111.5
320M26Very low28.2Very low182 Ų182131.9 Ų131.990%0.89781%0.813SS**  trans-79.8112.3161.4-82.6-176.871.500109V318V318-M320 PolarHBondContact O-N 3.01Å
321A29.9Very low28.2Very low97 Ų97131.6 Ų131.680%0.80281%0.807SS**  trans-71.613016900000110.1A323A321-A323 PolarHBondContact O-N 3.48Å
322Y24.9Very low28.5Very low239 Ų239126.6 Ų126.694%0.93779%0.794SS**  trans-63.8119.7169.6-88.9-103000110.1
323A30.8Very low29.8Very low96 Ų96126 Ų12679%0.79379%0.789SS**  trans-127120157.800000107.9A321A321-A323 PolarHBondContact O-N 3.48Å
324K29.2Very low31.7Very low188 Ų188123 Ų12382%0.81776%0.762SS**  trans-62.7149.1174.9-77176.9172.5179.40110.5
325E28.7Very low34.6Very low172 Ų172119.6 Ų119.680%0.80474%0.735SS**SBendtrans79.2117.6157.3-69.5166.7-156.200119
326S27.7Very low37.5Very low126 Ų126116 Ų11688%0.88170%0.704SS**  trans79.793.9147.4-46.70000118.7
327G26.8Very low40.5Very low81 Ų81108.8 Ų108.884%0.83567%0.666SS**  trans130.897149.100000117.5
328G27.9Very low43.4Very low79 Ų79105.3 Ų105.381%0.81465%0.646SS**  trans40.385.914600000120.6
329A29.2Very low46.6Very low91 Ų9198.4 Ų98.475%0.75260%0.604SS**  trans-83.2122.9158.700000110.9T331A329-T331 PolarHBondContact O-N 3.41Å
330N30.2Very low49.7Very low141 Ų14192.1 Ų92.175%0.75458%0.576SS**  trans-77.698177-138.88.3000108.9
331T32.4Very low52.7Low107 Ų10783.5 Ų83.566%0.65653%0.534SS*.  trans-75.9129.9174.843.80000110.3A329A329-T331 PolarHBondContact O-N 3.41Å
332G38.3Very low55.3Low58 Ų5884.9 Ų84.960%0.59852%0.518SS*.  trans-51.2156.3-178.200000114.5C334G332-C334 PolarHBondContact O-N 3.36Å; G332-C334 PolarHBondContact O-SG 2.81Å; G332-C334 VanDerWaalsContact O-SG 3.33Å
333A55.8Low58Low85 Ų8579 Ų7970%0.70251%0.507SS*.  trans-60.789.6-174.800000112.6
334C68.2Low60.7Low33 Ų3378.3 Ų78.322%0.22349%0.487CS..  trans-70.8134.9172.1-64.80000110.3G332 C336 L349 F417 S453 A454G332-C334 PolarHBondContact O-N 3.36Å; G332-C334 PolarHBondContact O-SG 2.81Å; G332-C334 VanDerWaalsContact O-SG 3.33Å; C334-C336 PolarHBondContact O-N 2.74Å; C334-L349 HydrophobicContact CB-CD1 3.62Å; C334-L349 HydrophobicContact CB-CD2 4.48Å; C334-F417 HydrophobicContact CB-CE1 3.74Å; C334-F417 HydrophobicContact CB-CZ 3.91Å; C334-F417 WeakPolarHBondContact SG-CZ 3.42Å; C334-S453 WeakPolarHBondContact O-CA 3.37Å; C334-A454 HydrophobicContact CB-CB 4.2Å; C334-A454 PolarHBondContact O-N 3.16Å
335L83.9Confident63.6Low55 Ų5575.2 Ų75.229%0.28847%0.473SS..EExtended strand (participates in β ladder)trans-88104-178.1-67.3169000110L349 V350 L435 L451L335-L349 VanDerWaalsContact O-CD1 3.23Å; L335-L349 WeakPolarHBondContact O-CD1 3.46Å; L335-V350 PolarHBondContact O-N 3.39Å; L335-L435 HydrophobicContact CD1-CD2 3.3Å; L335-L451 HydrophobicContact CB-CB 4.2Å; L335-L451 HydrophobicContact CB-CD1 4.19Å; L335-L451 HydrophobicContact CB-CD2 4.43Å; L335-L451 HydrophobicContact CD1-CD1 4.07Å; L335-L451 HydrophobicContact CD2-CB 3.84Å; L335-L451 HydrophobicContact CD2-CD1 4.29Å; L335-L451 HydrophobicContact CG-CD1 4.42Å
336C88.8Confident66.6Low2 Ų267.2 Ų67.21%0.01444%0.436CS..EExtended strand (participates in β ladder)trans-106.4155.4-178.9-61.50000112.4C334 R347 M348 Q452C334-C336 PolarHBondContact O-N 2.74Å; C336-R347 HydrophobicContact CB-CG 3.65Å; C336-M348 CarbonylContact C-O 3.54Å; C336-M348 WeakPolarHBondContact CA-O 3.48Å; C336-M348 WeakPolarHBondContact CB-O 3.44Å; C336-Q452 PolarHBondContact N-O 2.71Å; C336-Q452 PolarHBondContact O-N 3.5Å
337V89.6Confident69.6Low0 Ų066.5 Ų66.50%041%0.414CS..EExtended strand (participates in β ladder)trans-123.2137.9169.268.50000109.5V339 M348 V350 V400 L421 I449V337-V339 HydrophobicContact CG1-CG2 3.95Å; V337-V339 PolarHBondContact O-N 3.3Å; V337-M348 PolarHBondContact N-O 3.49Å; V337-M348 PolarHBondContact O-N 3.27Å; V337-V350 HydrophobicContact CB-CG2 4.25Å; V337-V350 HydrophobicContact CG1-CG2 3.92Å; V337-V400 HydrophobicContact CG1-CG1 4.38Å; V337-V400 HydrophobicContact CG2-CG1 3.93Å; V337-L421 HydrophobicContact CG1-CD1 3.31Å; V337-I449 HydrophobicContact CG2-CG2 3.58Å
338P90.1Very high72.7Confident42 Ų4262.7 Ų62.727%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-69.8121.217027.5-32.4000109.9F345P338-F345 HydrophobicContact CB-CD1 4.49Å
339V92.4Very high75.8Confident0 Ų059.7 Ų59.70%034%0.34CS..EExtended strand (participates in β ladder)trans-111.3126.7174.7-176.80000108.1V337 I346 M348 L398 Q399 V400 L421V337-V339 HydrophobicContact CG1-CG2 3.95Å; V337-V339 PolarHBondContact O-N 3.3Å; V339-I346 PolarHBondContact N-O 2.86Å; V339-I346 PolarHBondContact O-N 3.44Å; V339-M348 HydrophobicContact CB-CG 4.18Å; V339-M348 HydrophobicContact CB-SD 3.83Å; V339-M348 HydrophobicContact CG1-SD 4.03Å; V339-M348 HydrophobicContact CG2-CB 3.94Å; V339-M348 HydrophobicContact CG2-CG 3.88Å; V339-M348 HydrophobicContact CG2-SD 3.67Å; V339-L398 HydrophobicContact CG1-CB 3.78Å; V339-L398 HydrophobicContact CG1-CD2 4.08Å; V339-L398 HydrophobicContact CG1-CG 4.38Å; V339-Q399 CarbonylContact C-O 3.58Å; V339-Q399 WeakPolarHBondContact CA-O 3.28Å; V339-V400 HydrophobicContact CG1-CG2 4.13Å; V339-V400 HydrophobicContact CG2-CG2 4.04Å; V339-L421 HydrophobicContact CG2-CD1 4Å; V339-L421 HydrophobicContact CG2-CG 4.5Å
340K92Very high78.8Confident61 Ų6156 Ų5627%0.26531%0.308SS..EExtended strand (participates in β ladder)trans-100129.2177176.3178.2170.3-169.10110R342 K344 F345 Q399K340-R342 WeakPolarHBondContact CE-O 3.26Å; K340-K344 CarbonylContact C-O 3.54Å; K340-K344 WeakPolarHBondContact CA-O 3.32Å; K340-F345 HydrophobicContact CB-CD1 3.79Å; K340-F345 HydrophobicContact CB-CE1 3.71Å; K340-F345 HydrophobicContact CB-CG 4.4Å; K340-F345 HydrophobicContact CB-CZ 4.25Å; K340-F345 HydrophobicContact CD-CE1 3.95Å; K340-F345 HydrophobicContact CD-CE2 4.02Å; K340-F345 HydrophobicContact CD-CZ 3.63Å; K340-F345 HydrophobicContact CG-CD1 4.42Å; K340-F345 HydrophobicContact CG-CE1 4.22Å; K340-F345 HydrophobicContact CG-CE2 4.48Å; K340-F345 HydrophobicContact CG-CZ 4.26Å; K340-Q399 HydrophobicContact CB-CB 4.04Å; K340-Q399 PolarHBondContact N-O 3.38Å; K340-Q399 WeakPolarHBondContact O-CB 3.41Å; K340-Q399 PolarHBondContact O-N 2.87Å
341V90.4Very high81.6Confident0 Ų051.6 Ų51.60%028%0.284CS..EExtended strand (participates in β ladder)trans-122.3117170.4-172.50000107T343 K344 I346 I367 L396 L398V341-T343 PolarHBondContact O-N 3.34Å; V341-T343 VanDerWaalsContact O-N 3.08Å; V341-K344 PolarHBondContact N-O 3.22Å; V341-K344 PolarHBondContact O-N 3.43Å; V341-I346 HydrophobicContact CG2-CD1 4.05Å; V341-I367 HydrophobicContact CB-CD1 4.13Å; V341-I367 HydrophobicContact CB-CG1 4.32Å; V341-I367 HydrophobicContact CB-CG2 4.22Å; V341-I367 HydrophobicContact CG1-CD1 4.16Å; V341-I367 HydrophobicContact CG1-CG2 3.7Å; V341-I367 HydrophobicContact CG2-CD1 4.33Å; V341-L396 HydrophobicContact CG1-CD2 4.46Å; V341-L398 HydrophobicContact CG2-CD2 3.65Å
342R84.3Confident84.3Confident127 Ų12751.2 Ų51.248%0.47928%0.282SS..THydrogen-bonded Turntrans54-109.7-169.7-63.1176.3161-162.8-10.8111.9K340 G368K340-R342 WeakPolarHBondContact CE-O 3.26Å; R342-G368 PolarHBondContact NH1-O 3.49Å
343T81.8Confident86.5Confident115 Ų11551.7 Ų51.771%0.70629%0.287SS*.THydrogen-bonded Turntrans-105.2-1.4-179.857.70000112.8V341V341-T343 PolarHBondContact O-N 3.34Å; V341-T343 VanDerWaalsContact O-N 3.08Å
344K87Confident88.1Confident82 Ų8248.2 Ų48.236%0.35726%0.258SS..EExtended strand (participates in β ladder)trans-103.7134.5-175.3-57.8-59.2-174.2-179.90110.9K340 V341 R366K340-K344 CarbonylContact C-O 3.54Å; K340-K344 WeakPolarHBondContact CA-O 3.32Å; V341-K344 PolarHBondContact N-O 3.22Å; V341-K344 PolarHBondContact O-N 3.43Å; K344-R366 WeakPolarHBondContact CE-O 3.43Å
345F90.1Very high89.1Confident123 Ų12348.5 Ų48.554%0.53927%0.267SS..EExtended strand (participates in β ladder)trans-97.6132.4170.6-73.4-89.7000110.1P338 K340 R366P338-F345 HydrophobicContact CB-CD1 4.49Å; K340-F345 HydrophobicContact CB-CD1 3.79Å; K340-F345 HydrophobicContact CB-CE1 3.71Å; K340-F345 HydrophobicContact CB-CG 4.4Å; K340-F345 HydrophobicContact CB-CZ 4.25Å; K340-F345 HydrophobicContact CD-CE1 3.95Å; K340-F345 HydrophobicContact CD-CE2 4.02Å; K340-F345 HydrophobicContact CD-CZ 3.63Å; K340-F345 HydrophobicContact CG-CD1 4.42Å; K340-F345 HydrophobicContact CG-CE1 4.22Å; K340-F345 HydrophobicContact CG-CE2 4.48Å; K340-F345 HydrophobicContact CG-CZ 4.26Å; F345-R366 PolarHBondContact O-NH2 3.46Å
346I91.9Very high89.5Confident3 Ų352 Ų522%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-124.3128.8-178-49.1174.6000106.7V339 V341 M348 L359 E363 I367 A418V339-I346 PolarHBondContact N-O 2.86Å; V339-I346 PolarHBondContact O-N 3.44Å; V341-I346 HydrophobicContact CG2-CD1 4.05Å; I346-M348 HydrophobicContact CB-CG 4.43Å; I346-M348 HydrophobicContact CG2-CG 3.97Å; I346-M348 PolarHBondContact O-N 3Å; I346-L359 HydrophobicContact CD1-CD1 3.98Å; I346-L359 HydrophobicContact CG2-CD1 4.1Å; I346-E363 HydrophobicContact CG2-CG 4.49Å; I346-I367 HydrophobicContact CD1-CD1 3.49Å; I346-I367 VanDerWaalsContact CD1-CD1 3.49Å; I346-I367 HydrophobicContact CD1-CG1 3.74Å; I346-A418 HydrophobicContact CG2-CB 3.78Å
347R89.7Confident89.8Confident112 Ų11251.9 Ų51.942%0.42328%0.275SS..EExtended strand (participates in β ladder)trans-91.195.6180-164.4178.4-50.6175.48.3108.4C336C336-R347 HydrophobicContact CB-CG 3.65Å
348M93.4Very high90.1Very high1 Ų152.3 Ų52.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-92.8137.3-177.2-60.9-176.572.600110.2C336 V337 V339 I346 T357 L358 G419 L420 L421C336-M348 CarbonylContact C-O 3.54Å; C336-M348 WeakPolarHBondContact CA-O 3.48Å; C336-M348 WeakPolarHBondContact CB-O 3.44Å; V337-M348 PolarHBondContact N-O 3.49Å; V337-M348 PolarHBondContact O-N 3.27Å; V339-M348 HydrophobicContact CB-CG 4.18Å; V339-M348 HydrophobicContact CB-SD 3.83Å; V339-M348 HydrophobicContact CG1-SD 4.03Å; V339-M348 HydrophobicContact CG2-CB 3.94Å; V339-M348 HydrophobicContact CG2-CG 3.88Å; V339-M348 HydrophobicContact CG2-SD 3.67Å; I346-M348 HydrophobicContact CB-CG 4.43Å; I346-M348 HydrophobicContact CG2-CG 3.97Å; I346-M348 PolarHBondContact O-N 3Å; M348-T357 HydrophobicContact CE-CG2 3.91Å; M348-L358 WeakPolarHBondContact CE-O 3.45Å; M348-G419 CarbonylContact C-O 3.6Å; M348-G419 VanDerWaalsContact CA-O 3.29Å; M348-G419 WeakPolarHBondContact CA-O 3.32Å; M348-L420 WeakPolarHBondContact CE-O 3.48Å; M348-L421 HydrophobicContact CB-CG 4.04Å; M348-L421 HydrophobicContact CE-CD2 3.97Å; M348-L421 HydrophobicContact CE-CG 4.23Å; M348-L421 HydrophobicContact SD-CD2 4.14Å; M348-L421 HydrophobicContact SD-CG 4.34Å
349L92.3Very high90.3Very high16 Ų1650.5 Ų50.58%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-74.6131173.7172.259000109.5C334 L335 D351 F417 G419 L420 L421C334-L349 HydrophobicContact CB-CD1 3.62Å; C334-L349 HydrophobicContact CB-CD2 4.48Å; L335-L349 VanDerWaalsContact O-CD1 3.23Å; L335-L349 WeakPolarHBondContact O-CD1 3.46Å; L349-D351 HydrophobicContact CD2-CB 4.38Å; L349-D351 HydrophobicContact CG-CB 4.2Å; L349-D351 PolarHBondContact O-N 2.93Å; L349-F417 HydrophobicContact CB-CB 4.29Å; L349-F417 HydrophobicContact CB-CD1 4.11Å; L349-F417 HydrophobicContact CB-CD2 4.3Å; L349-F417 HydrophobicContact CB-CG 3.94Å; L349-F417 HydrophobicContact CD2-CD1 4.27Å; L349-F417 HydrophobicContact CD2-CD2 3.53Å; L349-F417 HydrophobicContact CD2-CE1 4.18Å; L349-F417 HydrophobicContact CD2-CE2 3.43Å; L349-F417 VanDerWaalsContact CD2-CE2 3.43Å; L349-F417 HydrophobicContact CD2-CG 3.99Å; L349-F417 HydrophobicContact CD2-CZ 3.8Å; L349-G419 PolarHBondContact N-O 3.02Å; L349-L420 HydrophobicContact CB-CD2 3.78Å; L349-L420 HydrophobicContact CD2-CD2 3.82Å; L349-L420 HydrophobicContact CG-CD2 4.15Å; L349-L420 CarbonylContact O-C 3.52Å; L349-L420 WeakPolarHBondContact O-CA 3.3Å; L349-L421 PolarHBondContact O-N 2.64Å
350V92Very high90.4Very high13 Ų1353.2 Ų53.28%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-80.1105.7168.5179.30000107.5L335 V337 L421 L426 V433 L440 L451L335-V350 PolarHBondContact O-N 3.39Å; V337-V350 HydrophobicContact CB-CG2 4.25Å; V337-V350 HydrophobicContact CG1-CG2 3.92Å; V350-L421 HydrophobicContact CG2-CD1 4.49Å; V350-L426 HydrophobicContact CG1-CD1 4.06Å; V350-L426 HydrophobicContact CG1-CD2 4.13Å; V350-V433 HydrophobicContact CG1-CG2 3.79Å; V350-L440 HydrophobicContact CG1-CD1 4.12Å; V350-L451 HydrophobicContact CB-CD2 4.31Å; V350-L451 HydrophobicContact CG2-CD2 3.68Å
351D89.4Confident90.4Very high49 Ų4950.5 Ų50.526%0.26226%0.264SS..  trans-120.1102.2-172.2-169.3-8.5000110.7L349 G353 A354 L420 L421L349-D351 HydrophobicContact CD2-CB 4.38Å; L349-D351 HydrophobicContact CG-CB 4.2Å; L349-D351 PolarHBondContact O-N 2.93Å; D351-G353 PolarHBondContact O-N 2.9Å; D351-G353 WeakPolarHBondContact OD1-CA 3.49Å; D351-G353 PolarHBondContact OD1-N 3.38Å; D351-A354 HydrophobicContact CB-CB 3.83Å; D351-A354 PolarHBondContact O-N 3.47Å; D351-A354 PolarHBondContact OD1-N 2.85Å; D351-L420 HydrophobicContact CB-CD2 4.47Å; D351-L421 PolarHBondContact N-O 2.71Å
352T88Confident90.4Very high99 Ų9953.4 Ų53.461%0.60728%0.28SS*.THydrogen-bonded Turntrans-69-12.8175.556.70000112.9V423 L426 V433T352-V423 WeakPolarHBondContact O-CG1 3.36Å; T352-L426 HydrophobicContact CG2-CD1 4.2Å; T352-V433 HydrophobicContact CG2-CG2 4.29Å
353G86.1Confident90.7Very high68 Ų6848.4 Ų48.470%0.70126%0.262SS*.THydrogen-bonded Turntrans-89.1-13.7173.500000114.1D351D351-G353 PolarHBondContact O-N 2.9Å; D351-G353 WeakPolarHBondContact OD1-CA 3.49Å; D351-G353 PolarHBondContact OD1-N 3.38Å
354A89.4Confident91.2Very high11 Ų1144.4 Ų44.49%0.09124%0.235CC..  trans-88.3116.8179.200000111.3D351 R356 L420 G422 V423D351-A354 HydrophobicContact CB-CB 3.83Å; D351-A354 PolarHBondContact O-N 3.47Å; D351-A354 PolarHBondContact OD1-N 2.85Å; A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.31Å; A354-L420 HydrophobicContact CB-CB 4.34Å; A354-L420 HydrophobicContact CB-CD1 3.85Å; A354-G422 CarbonylContact O-C 3.33Å; A354-G422 WeakPolarHBondContact O-CA 3.45Å; A354-V423 VanDerWaalsContact O-CG2 3.27Å; A354-V423 WeakPolarHBondContact O-CG2 3.26Å; A354-V423 PolarHBondContact O-N 3.31Å
355G88.2Confident91.3Very high40 Ų4048 Ų4841%0.41225%0.246SC..SBendtrans-70.3-15.8-179.600000115.7
356R92.8Very high91.2Very high127 Ų12747.6 Ų47.648%0.47924%0.241SC..SBendtrans-138.7151.9-178.2-69.4-66.3-177-93.32.6110.5A354 L358 L380 I410 D424A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 3.31Å; R356-L358 HydrophobicContact CB-CD2 3.96Å; R356-L380 HydrophobicContact CB-CD2 4.39Å; R356-L380 HydrophobicContact CG-CD2 4.16Å; R356-I410 HydrophobicContact CB-CD1 4.03Å; R356-I410 HydrophobicContact CG-CD1 3.93Å; R356-D424 WeakPolarHBondContact CA-OD2 3.35Å
357T95.4Very high91Very high0 Ų047.9 Ų47.90%024%0.243CC..  trans-81120.2172.5-690000109.6M348 L398 M407 V409 I410 L420 L421 G422 D424 F425M348-T357 HydrophobicContact CE-CG2 3.91Å; T357-L398 HydrophobicContact CG2-CD1 4.29Å; T357-M407 HydrophobicContact CG2-SD 3.68Å; T357-V409 HydrophobicContact CG2-CG1 4.35Å; T357-V409 HydrophobicContact CG2-CG2 4.12Å; T357-I410 PolarHBondContact O-N 3.06Å; T357-I410 VanDerWaalsContact O-N 3.09Å; T357-L420 CarbonylContact C-O 3.42Å; T357-L420 VanDerWaalsContact CA-O 3.28Å; T357-L420 WeakPolarHBondContact CA-O 3.25Å; T357-L420 WeakPolarHBondContact CG2-O 3.12Å; T357-L421 HydrophobicContact CG2-CD2 3.97Å; T357-G422 PolarHBondContact OG1-N 3.33Å; T357-G422 VanDerWaalsContact OG1-N 3.11Å; T357-D424 VanDerWaalsContact N-CG 3.27Å; T357-D424 PolarHBondContact N-OD1 2.83Å; T357-D424 PolarHBondContact N-OD2 2.91Å; T357-D424 PolarHBondContact OG1-OD1 3.49Å; T357-F425 WeakPolarHBondContact OG1-CB 3.4Å
358L95.4Very high90.4Very high9 Ų944.2 Ų44.25%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-116.5146.6-171.5-51.4-174.5000111.1M348 R356 L380 L388 I410 V412 L415 G419 L420M348-L358 WeakPolarHBondContact CE-O 3.45Å; R356-L358 HydrophobicContact CB-CD2 3.96Å; L358-L380 HydrophobicContact CD1-CD1 4.21Å; L358-L380 HydrophobicContact CD2-CD1 3.4Å; L358-L380 VanDerWaalsContact CD2-CD1 3.4Å; L358-L380 HydrophobicContact CG-CD1 4.47Å; L358-L388 HydrophobicContact CD1-CD1 3.94Å; L358-I410 CarbonylContact C-O 3.55Å; L358-I410 WeakPolarHBondContact CA-O 3.26Å; L358-I410 HydrophobicContact CD2-CB 3.83Å; L358-I410 HydrophobicContact CD2-CG2 4.35Å; L358-V412 HydrophobicContact CB-CG2 4.36Å; L358-L415 HydrophobicContact CB-CD2 4.26Å; L358-G419 CarbonylContact O-C 3.55Å; L358-G419 WeakPolarHBondContact O-CA 3.34Å; L358-L420 HydrophobicContact CB-CB 4.38Å; L358-L420 HydrophobicContact CD1-CD1 4.12Å; L358-L420 PolarHBondContact N-O 3.46Å; L358-L420 PolarHBondContact O-N 2.9Å
359L94.9Very high89.4Confident4 Ų446.4 Ų46.42%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-130.1139.1172.8-174.470.7000110.2I346 E363 F364 I367 L396 V409 I410 V411 V412I346-L359 HydrophobicContact CD1-CD1 3.98Å; I346-L359 HydrophobicContact CG2-CD1 4.1Å; L359-E363 HydrophobicContact CD1-CB 3.88Å; L359-E363 HydrophobicContact CG-CB 4.21Å; L359-F364 HydrophobicContact CD2-CB 3.91Å; L359-F364 HydrophobicContact CD2-CD2 4.34Å; L359-I367 HydrophobicContact CD2-CD1 3.68Å; L359-L396 HydrophobicContact CD2-CD1 3.99Å; L359-V409 HydrophobicContact CB-CG1 3.53Å; L359-I410 PolarHBondContact N-O 2.93Å; L359-V411 WeakPolarHBondContact O-CA 3.47Å; L359-V412 PolarHBondContact O-N 3.33Å
360R93.9Very high88.7Confident57 Ų5755.2 Ų55.222%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-74.8143.9177.9-160.6169.265.5-159.91.1111.4D362 E363 F364 V412 L415 A418R360-D362 VanDerWaalsContact C-N 3.3Å; R360-D362 VanDerWaalsContact CB-OD1 3.28Å; R360-D362 WeakPolarHBondContact CB-OD1 3.29Å; R360-D362 WeakPolarHBondContact CD-OD1 3.49Å; R360-D362 WeakPolarHBondContact CG-OD1 3.42Å; R360-D362 IonicContact CZ-OD1 3.64Å; R360-D362 IonicContact CZ-OD2 3.4Å; R360-D362 VanDerWaalsContact NE-CG 3.3Å; R360-D362 IonicContact NE-OD1 2.73Å; R360-D362 PolarHBondContact NE-OD1 3.05Å; R360-D362 IonicContact NE-OD2 3.15Å; R360-D362 PolarHBondContact NE-OD2 3.38Å; R360-D362 VanDerWaalsContact NE-OD2 3.15Å; R360-D362 IonicContact NH2-OD1 3.66Å; R360-D362 IonicContact NH2-OD2 2.83Å; R360-D362 PolarHBondContact NH2-OD2 3.13Å; R360-D362 PolarHBondContact O-N 2.68Å; R360-E363 HydrophobicContact CB-CG 4.48Å; R360-E363 WeakPolarHBondContact O-CB 3.47Å; R360-E363 PolarHBondContact O-N 3.47Å; R360-E363 VanDerWaalsContact O-N 3.08Å; R360-F364 PolarHBondContact O-N 3.32Å; R360-V412 CarbonylContact C-O 3.6Å; R360-V412 WeakPolarHBondContact CA-O 3.36Å; R360-L415 HydrophobicContact CB-CB 4.19Å; R360-L415 WeakPolarHBondContact CD-O 3.3Å; R360-L415 HydrophobicContact CG-CB 4.11Å; R360-L415 PolarHBondContact NH1-O 2.75Å; R360-L415 VanDerWaalsContact NH1-O 3.17Å; R360-A418 WeakPolarHBondContact CB-O 3.47Å; R360-A418 PolarHBondContact N-O 3.41Å
361S92.1Very high88.4Confident4 Ų458.9 Ų58.93%0.02832%0.316CS..Hα-helixtrans-58.2-35.8-173.366.80000114.3F364 R365 M391 V412 D413S361-F364 PolarHBondContact O-N 2.92Å; S361-R365 WeakPolarHBondContact O-CG 3.33Å; S361-R365 PolarHBondContact O-N 2.91Å; S361-R365 PolarHBondContact OG-NH2 3.47Å; S361-M391 WeakPolarHBondContact CB-SD 3.37Å; S361-V412 PolarHBondContact N-O 3.5Å; S361-D413 PolarHBondContact OG-O 3.5Å; S361-D413 PolarHBondContact OG-OD1 3.35Å
362D90Very high88.1Confident61 Ų6164.9 Ų64.933%0.32634%0.342SS..Hα-helixtrans-66.6-40.1175.264.1-26.9000112.5R360 R365 R366R360-D362 VanDerWaalsContact C-N 3.3Å; R360-D362 VanDerWaalsContact CB-OD1 3.28Å; R360-D362 WeakPolarHBondContact CB-OD1 3.29Å; R360-D362 WeakPolarHBondContact CD-OD1 3.49Å; R360-D362 WeakPolarHBondContact CG-OD1 3.42Å; R360-D362 IonicContact CZ-OD1 3.64Å; R360-D362 IonicContact CZ-OD2 3.4Å; R360-D362 VanDerWaalsContact NE-CG 3.3Å; R360-D362 IonicContact NE-OD1 2.73Å; R360-D362 PolarHBondContact NE-OD1 3.05Å; R360-D362 IonicContact NE-OD2 3.15Å; R360-D362 PolarHBondContact NE-OD2 3.38Å; R360-D362 VanDerWaalsContact NE-OD2 3.15Å; R360-D362 IonicContact NH2-OD1 3.66Å; R360-D362 IonicContact NH2-OD2 2.83Å; R360-D362 PolarHBondContact NH2-OD2 3.13Å; R360-D362 PolarHBondContact O-N 2.68Å; D362-R365 PolarHBondContact O-N 3.38Å; D362-R366 VanDerWaalsContact O-CB 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.42Å; D362-R366 PolarHBondContact O-N 3.12Å
363E91.7Very high88.2Confident23 Ų2362.7 Ų62.711%0.10733%0.327CS..Hα-helixtrans-67.3-41.1175.6-68.4-65.715600111.4I346 L359 R360 R365 R366 I367 A418I346-E363 HydrophobicContact CG2-CG 4.49Å; L359-E363 HydrophobicContact CD1-CB 3.88Å; L359-E363 HydrophobicContact CG-CB 4.21Å; R360-E363 HydrophobicContact CB-CG 4.48Å; R360-E363 WeakPolarHBondContact O-CB 3.47Å; R360-E363 PolarHBondContact O-N 3.47Å; R360-E363 VanDerWaalsContact O-N 3.08Å; E363-R365 PolarHBondContact O-N 2.8Å; E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 2.94Å; E363-R366 VanDerWaalsContact O-N 3.12Å; E363-R366 IonicContact OE1-CZ 3.52Å; E363-R366 IonicContact OE1-NE 3.75Å; E363-R366 IonicContact OE1-NH2 3.97Å; E363-R366 IonicContact OE2-CZ 3.09Å; E363-R366 IonicContact OE2-NE 2.9Å; E363-R366 PolarHBondContact OE2-NE 3.42Å; E363-R366 IonicContact OE2-NH2 2.66Å; E363-R366 PolarHBondContact OE2-NH2 3.4Å; E363-I367 VanDerWaalsContact O-CG1 3.3Å; E363-I367 WeakPolarHBondContact O-CG1 3.25Å; E363-I367 PolarHBondContact O-N 2.94Å; E363-A418 HydrophobicContact CG-CB 3.88Å
364F92.1Very high88.3Confident31 Ų3162.8 Ų62.814%0.13632%0.316CS..Hα-helixtrans-58.6-47.6172.8178.8-112.1000111.7L359 R360 S361 R366 I367 W371 L373 V394 V411L359-F364 HydrophobicContact CD2-CB 3.91Å; L359-F364 HydrophobicContact CD2-CD2 4.34Å; R360-F364 PolarHBondContact O-N 3.32Å; S361-F364 PolarHBondContact O-N 2.92Å; F364-R366 VanDerWaalsContact C-N 3.28Å; F364-R366 PolarHBondContact O-N 3Å; F364-I367 PolarHBondContact O-N 3.5Å; F364-W371 HydrophobicContact CE2-CB 4.16Å; F364-W371 HydrophobicContact CZ-CB 4.09Å; F364-L373 HydrophobicContact CD1-CD1 4.47Å; F364-L373 HydrophobicContact CD1-CD2 4.42Å; F364-L373 HydrophobicContact CE1-CD1 4.04Å; F364-L373 HydrophobicContact CE1-CD2 3.87Å; F364-L373 HydrophobicContact CE1-CG 3.78Å; F364-L373 HydrophobicContact CE2-CD2 4.39Å; F364-L373 HydrophobicContact CZ-CD2 3.85Å; F364-L373 HydrophobicContact CZ-CG 4.03Å; F364-V394 HydrophobicContact CD2-CG1 4.2Å; F364-V394 HydrophobicContact CE2-CB 4.32Å; F364-V394 HydrophobicContact CE2-CG1 3.77Å; F364-V394 HydrophobicContact CE2-CG2 4.19Å; F364-V394 HydrophobicContact CZ-CG1 4.49Å; F364-V411 HydrophobicContact CB-CG1 3.92Å; F364-V411 HydrophobicContact CB-CG2 4.12Å; F364-V411 HydrophobicContact CD1-CG1 4.34Å; F364-V411 HydrophobicContact CD1-CG2 4.39Å; F364-V411 HydrophobicContact CD2-CG2 3.99Å; F364-V411 HydrophobicContact CG-CG1 4.22Å; F364-V411 HydrophobicContact CG-CG2 3.9Å
365R89.4Confident88.2Confident158 Ų15868.4 Ų68.460%0.59635%0.352SS*.Hα-helixtrans-60.6-36.6173.8-71.1-178.4-121.4126.2-1.5112.2S361 D362 E363 G368S361-R365 WeakPolarHBondContact O-CG 3.33Å; S361-R365 PolarHBondContact O-N 2.91Å; S361-R365 PolarHBondContact OG-NH2 3.47Å; D362-R365 PolarHBondContact O-N 3.38Å; E363-R365 PolarHBondContact O-N 2.8Å; R365-G368 PolarHBondContact O-N 2.81Å
366R87.8Confident87.8Confident113 Ų11368 Ų6843%0.42634%0.342SS..Hα-helixtrans-70.9-31.2180-169.917874.1113.63.9113.6K344 F345 D362 E363 F364 G368K344-R366 WeakPolarHBondContact CE-O 3.43Å; F345-R366 PolarHBondContact O-NH2 3.46Å; D362-R366 VanDerWaalsContact O-CB 3.29Å; D362-R366 WeakPolarHBondContact O-CB 3.42Å; D362-R366 PolarHBondContact O-N 3.12Å; E363-R366 WeakPolarHBondContact O-CB 3.31Å; E363-R366 PolarHBondContact O-N 2.94Å; E363-R366 VanDerWaalsContact O-N 3.12Å; E363-R366 IonicContact OE1-CZ 3.52Å; E363-R366 IonicContact OE1-NE 3.75Å; E363-R366 IonicContact OE1-NH2 3.97Å; E363-R366 IonicContact OE2-CZ 3.09Å; E363-R366 IonicContact OE2-NE 2.9Å; E363-R366 PolarHBondContact OE2-NE 3.42Å; E363-R366 IonicContact OE2-NH2 2.66Å; E363-R366 PolarHBondContact OE2-NH2 3.4Å; F364-R366 VanDerWaalsContact C-N 3.28Å; F364-R366 PolarHBondContact O-N 3Å; R366-G368 VanDerWaalsContact C-N 3.31Å
367I87.1Confident87.2Confident10 Ų1072.3 Ų72.35%0.05137%0.365CS..Hα-helixtrans-61.9-44.3174.3-66.7162.9000109.8V341 I346 L359 E363 F364 L396V341-I367 HydrophobicContact CB-CD1 4.13Å; V341-I367 HydrophobicContact CB-CG1 4.32Å; V341-I367 HydrophobicContact CB-CG2 4.22Å; V341-I367 HydrophobicContact CG1-CD1 4.16Å; V341-I367 HydrophobicContact CG1-CG2 3.7Å; V341-I367 HydrophobicContact CG2-CD1 4.33Å; I346-I367 HydrophobicContact CD1-CD1 3.49Å; I346-I367 VanDerWaalsContact CD1-CD1 3.49Å; I346-I367 HydrophobicContact CD1-CG1 3.74Å; L359-I367 HydrophobicContact CD2-CD1 3.68Å; E363-I367 VanDerWaalsContact O-CG1 3.3Å; E363-I367 WeakPolarHBondContact O-CG1 3.25Å; E363-I367 PolarHBondContact O-N 2.94Å; F364-I367 PolarHBondContact O-N 3.5Å; I367-L396 HydrophobicContact CD1-CD1 4.38Å
368G76.8Confident86.5Confident34 Ų3475 Ų7535%0.35138%0.381SS..  trans66.2159.3-178.700000114R342 R365 R366R342-G368 PolarHBondContact NH1-O 3.49Å; R365-G368 PolarHBondContact O-N 2.81Å; R366-G368 VanDerWaalsContact C-N 3.31Å
369G73Confident86Confident48 Ų4879.6 Ų79.650%0.49541%0.412SS..SBendtrans132.3166.5-178.600000113.1W371G369-W371 PolarHBondContact O-N 2.88Å
370Q78.3Confident85.5Confident200 Ų20080.5 Ų80.594%0.93542%0.417SS*.SBendtrans-76.764.3170.2-68.6175.4-29.600109.7
371W84.2Confident85.1Confident90 Ų9083.2 Ų83.234%0.34144%0.435SS..  trans-109.5113.4172.6-56.7110.7000108.1F364 G369 V394 L396F364-W371 HydrophobicContact CE2-CB 4.16Å; F364-W371 HydrophobicContact CZ-CB 4.09Å; G369-W371 PolarHBondContact O-N 2.88Å; W371-V394 HydrophobicContact CB-CG2 3.98Å; W371-V394 HydrophobicContact CE3-CG2 4.49Å; W371-V394 HydrophobicContact CG-CG2 4.5Å; W371-L396 HydrophobicContact CD2-CD2 4.29Å; W371-L396 HydrophobicContact CG-CD2 4.4Å
372E83.8Confident84.7Confident176 Ų17685 Ų8582%0.82245%0.448SS*.PPolyproline II helixtrans-88.9136.5175.2-67.4-177.8174.900109.8S374E372-S374 PolarHBondContact O-N 2.85Å
373L89.8Confident83.9Confident53 Ų5387.8 Ų87.828%0.27748%0.479SS..PPolyproline II helixtrans-76.2120.5173.8-71.4173.3000108.9F364 M391 V394 V411F364-L373 HydrophobicContact CD1-CD1 4.47Å; F364-L373 HydrophobicContact CD1-CD2 4.42Å; F364-L373 HydrophobicContact CE1-CD1 4.04Å; F364-L373 HydrophobicContact CE1-CD2 3.87Å; F364-L373 HydrophobicContact CE1-CG 3.78Å; F364-L373 HydrophobicContact CE2-CD2 4.39Å; F364-L373 HydrophobicContact CZ-CD2 3.85Å; F364-L373 HydrophobicContact CZ-CG 4.03Å; L373-M391 HydrophobicContact CD1-CB 4Å; L373-V394 HydrophobicContact CD2-CB 4.17Å; L373-V394 HydrophobicContact CD2-CG1 4.13Å; L373-V411 HydrophobicContact CD2-CB 3.95Å; L373-V411 HydrophobicContact CD2-CG2 3.64Å
374S88.8Confident83Confident69 Ų6990.1 Ų90.148%0.48351%0.51SS..BIsolated β-bridgetrans-74.3139.5170.7-66.40000110E372 C376 G392 S393E372-S374 PolarHBondContact O-N 2.85Å; S374-C376 PolarHBondContact O-N 2.84Å; S374-C376 VanDerWaalsContact O-N 3.16Å; S374-G392 CarbonylContact O-C 3.58Å; S374-G392 VanDerWaalsContact O-CA 3.26Å; S374-G392 WeakPolarHBondContact O-CA 3.35Å; S374-S393 PolarHBondContact N-O 3.26Å; S374-S393 PolarHBondContact O-N 3.47Å
375P86.3Confident82.4Confident130 Ų13091.1 Ų91.184%0.84453%0.529SS*.PPolyproline II helixtrans-56.1120.3172.2-25.233.9000111.2
376C80.3Confident82Confident31 Ų3188.3 Ų88.321%0.20953%0.529CS..  trans-115.6107.9-177.2-170.60000109.9S374 V378 V390S374-C376 PolarHBondContact O-N 2.84Å; S374-C376 VanDerWaalsContact O-N 3.16Å; C376-V378 PolarHBondContact O-N 3.28Å; C376-V378 WeakPolarHBondContact SG-CG2 3.22Å; C376-V390 HydrophobicContact CB-CG1 4.26Å
377K79.6Confident81.9Confident218 Ų21886 Ų8695%0.94853%0.534SS*.  trans-84.658.5177.9-65.6-175.4-179.1179.30111.3
378V81.3Confident81.8Confident56 Ų5687.5 Ų87.534%0.33954%0.542SS..  trans-118125.8178.4-179.20000109.7C376 L380 I410C376-V378 PolarHBondContact O-N 3.28Å; C376-V378 WeakPolarHBondContact SG-CG2 3.22Å; V378-L380 HydrophobicContact CG1-CD2 3.75Å; V378-L380 HydrophobicContact CG1-CG 4.02Å; V378-I410 HydrophobicContact CG1-CD1 4.46Å
379C84.5Confident82.4Confident105 Ų10591.3 Ų91.371%0.70956%0.555SS**  trans-89.6108.1170.6-178.30000109.2
380L85.5Confident83.3Confident23 Ų2390.5 Ų90.512%0.1254%0.54CS..  trans-97.6131.4176.4-65.1177.2000110.4R356 L358 V378 A387 L388 V390 I410 V412R356-L380 HydrophobicContact CB-CD2 4.39Å; R356-L380 HydrophobicContact CG-CD2 4.16Å; L358-L380 HydrophobicContact CD1-CD1 4.21Å; L358-L380 HydrophobicContact CD2-CD1 3.4Å; L358-L380 VanDerWaalsContact CD2-CD1 3.4Å; L358-L380 HydrophobicContact CG-CD1 4.47Å; V378-L380 HydrophobicContact CG1-CD2 3.75Å; V378-L380 HydrophobicContact CG1-CG 4.02Å; L380-A387 CarbonylContact O-C 3.55Å; L380-A387 WeakPolarHBondContact O-CA 3.29Å; L380-L388 HydrophobicContact CB-CB 4.15Å; L380-L388 HydrophobicContact CB-CD1 4.14Å; L380-L388 HydrophobicContact CB-CG 4.47Å; L380-L388 PolarHBondContact O-N 2.84Å; L380-V390 HydrophobicContact CB-CG2 4.37Å; L380-V390 HydrophobicContact CD1-CG2 3.91Å; L380-V390 HydrophobicContact CG-CG2 4.12Å; L380-I410 HydrophobicContact CD1-CB 4.47Å; L380-I410 HydrophobicContact CD1-CD1 4.17Å; L380-I410 HydrophobicContact CD1-CG2 3.94Å; L380-V412 HydrophobicContact CD1-CG1 4.16Å
381L85.7Confident83.8Confident114 Ų11485.5 Ų85.560%0.59752%0.518SS*.BIsolated β-bridgetrans-109.3135.2175.3-59.1176.6000109.5A387L381-A387 HydrophobicContact CD2-CB 4.1Å
382S82.3Confident84.2Confident41 Ų4181.2 Ų81.229%0.28750%0.502SS..  trans-67.4165.6167.566.70000111G384 G385 T386S382-G384 PolarHBondContact O-N 2.98Å; S382-G385 PolarHBondContact O-N 3.07Å; S382-T386 PolarHBondContact N-O 3.23Å; S382-T386 PolarHBondContact OG-N 3.23Å; S382-T386 PolarHBondContact OG-O 3.3Å; S382-T386 VanDerWaalsContact OG-O 3.09Å
383A73.7Confident84.7Confident120 Ų12073 Ų7399%0.99246%0.464SS*.THydrogen-bonded Turntrans-58.1-20175.700000113.9
384G73.8Confident84.9Confident73 Ų7370.9 Ų70.975%0.75345%0.453SS*.THydrogen-bonded Turntrans-90.74.5174.100000114.9S382 T386S382-G384 PolarHBondContact O-N 2.98Å; G384-T386 VanDerWaalsContact C-N 3.34Å; G384-T386 PolarHBondContact O-N 3.49Å
385G78.1Confident85.1Confident51 Ų5173 Ų7353%0.52646%0.458SS..SBendtrans84.1-2.5-179.600000115.4S382S382-G385 PolarHBondContact O-N 3.07Å
386T82.1Confident85.5Confident100 Ų10066.8 Ų66.861%0.61342%0.418SS*.PPolyproline II helixtrans-73.8130.4175.4-45.60000110.6S382 G384S382-T386 PolarHBondContact N-O 3.23Å; S382-T386 PolarHBondContact OG-N 3.23Å; S382-T386 PolarHBondContact OG-O 3.3Å; S382-T386 VanDerWaalsContact OG-O 3.09Å; G384-T386 VanDerWaalsContact C-N 3.34Å; G384-T386 PolarHBondContact O-N 3.49Å
387A84.4Confident86.1Confident64 Ų6467.5 Ų67.553%0.52942%0.422SS..BIsolated β-bridgetrans-65.1134.2173.300000111.4L380 L381L380-A387 CarbonylContact O-C 3.55Å; L380-A387 WeakPolarHBondContact O-CA 3.29Å; L381-A387 HydrophobicContact CD2-CB 4.1Å
388L86.1Confident86.8Confident41 Ų4157.3 Ų57.322%0.21538%0.378CS..PPolyproline II helixtrans-87.2138.4173.9-60.9177.2000109.6L358 L380 V390 V412L358-L388 HydrophobicContact CD1-CD1 3.94Å; L380-L388 HydrophobicContact CB-CB 4.15Å; L380-L388 HydrophobicContact CB-CD1 4.14Å; L380-L388 HydrophobicContact CB-CG 4.47Å; L380-L388 PolarHBondContact O-N 2.84Å; L388-V390 PolarHBondContact O-N 2.87Å; L388-V412 HydrophobicContact CB-CG1 4.45Å
389D89.4Confident87.3Confident115 Ų11557.2 Ų57.262%0.61537%0.374SS*.  trans-78.5104.6177.5-1669.2000110.1V412 D413D389-V412 WeakPolarHBondContact O-CA 3.32Å; D389-D413 HydrophobicContact CB-CB 4.41Å; D389-D413 PolarHBondContact O-N 3.37Å; D389-D413 VanDerWaalsContact O-N 3.08Å
390V90.8Very high87.6Confident31 Ų3152.2 Ų52.219%0.18834%0.34CS..EExtended strand (participates in β ladder)trans-90118.2-175.6175.50000109.4C376 L380 L388 I410 V412C376-V390 HydrophobicContact CB-CG1 4.26Å; L380-V390 HydrophobicContact CB-CG2 4.37Å; L380-V390 HydrophobicContact CD1-CG2 3.91Å; L380-V390 HydrophobicContact CG-CG2 4.12Å; L388-V390 PolarHBondContact O-N 2.87Å; V390-I410 HydrophobicContact CG1-CG2 3.59Å; V390-I410 HydrophobicContact CG2-CG2 4.25Å; V390-V412 HydrophobicContact CG2-CG1 4.25Å
391M90.3Very high87.6Confident94 Ų9453 Ų5346%0.46335%0.354SS..EExtended strand (participates in β ladder)trans-83.3-24.4178.6-62.4-171.17200113.2S361 L373 V411S361-M391 WeakPolarHBondContact CB-SD 3.37Å; L373-M391 HydrophobicContact CD1-CB 4Å; M391-V411 HydrophobicContact CB-CG1 4.46Å; M391-V411 PolarHBondContact N-O 2.89Å; M391-V411 HydrophobicContact SD-CG1 4.39Å
392G92.2Very high87.5Confident1 Ų153.2 Ų53.21%0.0136%0.356CS..EExtended strand (participates in β ladder)trans148.7-175.2-176.700000111.7S374 V411S374-G392 CarbonylContact O-C 3.58Å; S374-G392 VanDerWaalsContact O-CA 3.26Å; S374-G392 WeakPolarHBondContact O-CA 3.35Å; G392-V411 PolarHBondContact O-N 3.34Å
393S93.4Very high87.8Confident4 Ų455.8 Ų55.83%0.02836%0.361CS..EExtended strand (participates in β ladder)trans-122.7155.2176.163.70000111.9S374 E408 V409S374-S393 PolarHBondContact N-O 3.26Å; S374-S393 PolarHBondContact O-N 3.47Å; S393-E408 WeakPolarHBondContact CB-OE1 3.45Å; S393-E408 PolarHBondContact OG-OE1 2.95Å; S393-V409 WeakPolarHBondContact CA-O 3.28Å
394V94Very high88.6Confident8 Ų854 Ų545%0.04834%0.338CS..EExtended strand (participates in β ladder)trans-149138.8-178.9550000110.6F364 W371 L373 L396 V409 V411F364-V394 HydrophobicContact CD2-CG1 4.2Å; F364-V394 HydrophobicContact CE2-CB 4.32Å; F364-V394 HydrophobicContact CE2-CG1 3.77Å; F364-V394 HydrophobicContact CE2-CG2 4.19Å; F364-V394 HydrophobicContact CZ-CG1 4.49Å; W371-V394 HydrophobicContact CB-CG2 3.98Å; W371-V394 HydrophobicContact CE3-CG2 4.49Å; W371-V394 HydrophobicContact CG-CG2 4.5Å; L373-V394 HydrophobicContact CD2-CB 4.17Å; L373-V394 HydrophobicContact CD2-CG1 4.13Å; V394-L396 HydrophobicContact CG1-CD1 3.96Å; V394-L396 HydrophobicContact CG1-CD2 4.37Å; V394-L396 HydrophobicContact CG1-CG 3.88Å; V394-L396 HydrophobicContact CG2-CD2 3.92Å; V394-L396 HydrophobicContact CG2-CG 4.12Å; V394-L396 PolarHBondContact O-N 2.97Å; V394-V409 PolarHBondContact N-O 3.23Å; V394-V409 PolarHBondContact O-N 3.29Å; V394-V411 HydrophobicContact CG1-CG2 3.94Å
395L93.8Very high89.5Confident112 Ų11251 Ų5159%0.58630%0.304SS*.EExtended strand (participates in β ladder)trans-80.5109.6174-175.167.7000109.7A406 M407L395-A406 HydrophobicContact CD1-CB 4.42Å; L395-M407 VanDerWaalsContact CD1-C 3.49Å
396L93.5Very high90.2Very high1 Ų151.8 Ų51.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-115.3138.7-178.2-67.5177000112.2V341 L359 I367 W371 V394 L398 A406 M407 V409V341-L396 HydrophobicContact CG1-CD2 4.46Å; L359-L396 HydrophobicContact CD2-CD1 3.99Å; I367-L396 HydrophobicContact CD1-CD1 4.38Å; W371-L396 HydrophobicContact CD2-CD2 4.29Å; W371-L396 HydrophobicContact CG-CD2 4.4Å; V394-L396 HydrophobicContact CG1-CD1 3.96Å; V394-L396 HydrophobicContact CG1-CD2 4.37Å; V394-L396 HydrophobicContact CG1-CG 3.88Å; V394-L396 HydrophobicContact CG2-CD2 3.92Å; V394-L396 HydrophobicContact CG2-CG 4.12Å; V394-L396 PolarHBondContact O-N 2.97Å; L396-L398 HydrophobicContact CB-CD2 3.95Å; L396-L398 PolarHBondContact O-N 3.16Å; L396-A406 WeakPolarHBondContact O-CA 3.37Å; L396-M407 PolarHBondContact N-O 3.04Å; L396-M407 PolarHBondContact O-N 3.12Å; L396-M407 VanDerWaalsContact O-N 3.14Å; L396-V409 HydrophobicContact CB-CG2 4.25Å; L396-V409 HydrophobicContact CD1-CB 4.27Å; L396-V409 HydrophobicContact CD1-CG2 4.35Å
397P93.2Very high90.6Very high46 Ų4647.6 Ų47.630%0.29928%0.28SS..EExtended strand (participates in β ladder)trans-78.9101.116931-31.7000110T404P397-T404 HydrophobicContact CB-CG2 3.72Å
398L94Very high91Very high3 Ų350 Ų502%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-89.5106.4178.9-55.2-172.6000110.1V339 V341 T357 L396 V400 F405 M407 V409 L421V339-L398 HydrophobicContact CG1-CB 3.78Å; V339-L398 HydrophobicContact CG1-CD2 4.08Å; V339-L398 HydrophobicContact CG1-CG 4.38Å; V341-L398 HydrophobicContact CG2-CD2 3.65Å; T357-L398 HydrophobicContact CG2-CD1 4.29Å; L396-L398 HydrophobicContact CB-CD2 3.95Å; L396-L398 PolarHBondContact O-N 3.16Å; L398-V400 HydrophobicContact CB-CG2 4.5Å; L398-V400 PolarHBondContact O-N 3.33Å; L398-F405 PolarHBondContact N-O 2.84Å; L398-F405 PolarHBondContact O-N 3.45Å; L398-M407 HydrophobicContact CD1-CG 3.87Å; L398-M407 HydrophobicContact CD1-SD 3.84Å; L398-V409 HydrophobicContact CD1-CG2 4Å; L398-V409 HydrophobicContact CD2-CG2 4.3Å; L398-V409 HydrophobicContact CG-CG2 4.43Å; L398-L421 HydrophobicContact CD1-CD2 4.19Å
399Q93.1Very high91.4Very high55 Ų5548.1 Ų48.126%0.25727%0.271SS..EExtended strand (participates in β ladder)trans-83.5111.1172.6-178.4-178.5-3.100110.3V339 K340 G401 K403 T404V339-Q399 CarbonylContact C-O 3.58Å; V339-Q399 WeakPolarHBondContact CA-O 3.28Å; K340-Q399 HydrophobicContact CB-CB 4.04Å; K340-Q399 PolarHBondContact N-O 3.38Å; K340-Q399 WeakPolarHBondContact O-CB 3.41Å; K340-Q399 PolarHBondContact O-N 2.87Å; Q399-G401 PolarHBondContact NE2-O 3.49Å; Q399-K403 CarbonylContact C-O 3.55Å; Q399-K403 VanDerWaalsContact CA-O 3.28Å; Q399-K403 WeakPolarHBondContact CA-O 3.35Å; Q399-T404 HydrophobicContact CB-CG2 4.48Å
400V90.3Very high91.7Very high0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-115.9107.3-179.7-171.80000107.9V337 V339 L398 K403 F405 F425 I449V337-V400 HydrophobicContact CG1-CG1 4.38Å; V337-V400 HydrophobicContact CG2-CG1 3.93Å; V339-V400 HydrophobicContact CG1-CG2 4.13Å; V339-V400 HydrophobicContact CG2-CG2 4.04Å; L398-V400 HydrophobicContact CB-CG2 4.5Å; L398-V400 PolarHBondContact O-N 3.33Å; V400-K403 PolarHBondContact N-O 2.86Å; V400-F405 HydrophobicContact CB-CD2 4.19Å; V400-F405 HydrophobicContact CB-CE2 4.04Å; V400-F405 HydrophobicContact CG2-CD2 4.22Å; V400-F425 HydrophobicContact CB-CZ 4.3Å; V400-F425 HydrophobicContact CG2-CE1 4.34Å; V400-F425 HydrophobicContact CG2-CE2 4.37Å; V400-F425 HydrophobicContact CG2-CZ 3.67Å; V400-I449 HydrophobicContact CB-CD1 4.49Å; V400-I449 HydrophobicContact CG1-CD1 3.64Å
401G85.6Confident91.9Very high39 Ų3941.5 Ų41.540%0.40223%0.234SC..THydrogen-bonded Turntrans70.1-128.8-165.400000111.6Q399Q399-G401 PolarHBondContact NE2-O 3.49Å
402D83.3Confident92Very high119 Ų11937 Ų3764%0.63621%0.212SC*.THydrogen-bonded Turntrans-96.50.9178.460.2-38.8000113.6L447D402-L447 WeakPolarHBondContact OD1-CD2 3.33Å
403K88.6Confident91.7Very high94 Ų9439.5 Ų39.541%0.40923%0.225SC..EExtended strand (participates in β ladder)trans-112.1146.7178.7-65.4-71.4-175.3177.20111.8Q399 V400 F405 L447Q399-K403 CarbonylContact C-O 3.55Å; Q399-K403 VanDerWaalsContact CA-O 3.28Å; Q399-K403 WeakPolarHBondContact CA-O 3.35Å; V400-K403 PolarHBondContact N-O 2.86Å; K403-F405 HydrophobicContact CB-CE2 3.75Å; K403-F405 HydrophobicContact CB-CZ 3.8Å; K403-L447 HydrophobicContact CB-CD1 3.96Å; K403-L447 HydrophobicContact CG-CD1 3.82Å; K403-L447 HydrophobicContact CG-CD2 3.83Å; K403-L447 HydrophobicContact CG-CG 4.17Å
404T91.9Very high91.1Very high83 Ų8347.3 Ų47.351%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-113.9130.3179.5-55.10000110.2P397 Q399P397-T404 HydrophobicContact CB-CG2 3.72Å; Q399-T404 HydrophobicContact CB-CG2 4.48Å
405F91.9Very high90.7Very high9 Ų948 Ų484%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-122.4119.1-175.4-56.9-85.4000109.2L398 V400 K403 F425 H429 F431 L447L398-F405 PolarHBondContact N-O 2.84Å; L398-F405 PolarHBondContact O-N 3.45Å; V400-F405 HydrophobicContact CB-CD2 4.19Å; V400-F405 HydrophobicContact CB-CE2 4.04Å; V400-F405 HydrophobicContact CG2-CD2 4.22Å; K403-F405 HydrophobicContact CB-CE2 3.75Å; K403-F405 HydrophobicContact CB-CZ 3.8Å; F405-F425 HydrophobicContact CB-CE2 3.81Å; F405-F425 HydrophobicContact CD2-CE2 4.05Å; F405-F425 AromaticContact CD2-CZ 3.91Å; F405-F425 HydrophobicContact CD2-CZ 3.91Å; F405-F425 HydrophobicContact CE2-CZ 4.32Å; F405-F425 AromaticContact CG-CE2 3.94Å; F405-F425 HydrophobicContact CG-CE2 3.94Å; F405-F425 HydrophobicContact CG-CZ 4.21Å; F405-H429 HydrophobicContact CD1-CB 4.19Å; F405-H429 AromaticContact CD1-CD2 3.25Å; F405-H429 WeakPolarHBondContact CD1-CD2 3.48Å; F405-H429 AromaticContact CD1-CG 3.61Å; F405-H429 AromaticContact CD1-NE2 3.56Å; F405-H429 HydrophobicContact CE1-CB 3.95Å; F405-H429 AromaticContact CE1-CD2 3.77Å; F405-H429 AromaticContact CE1-CG 3.89Å; F405-F431 HydrophobicContact CE1-CE2 4.23Å; F405-F431 HydrophobicContact CE2-CE2 4.08Å; F405-F431 AromaticContact CE2-CZ 3.9Å; F405-F431 HydrophobicContact CE2-CZ 3.9Å; F405-F431 AromaticContact CZ-CE2 3.76Å; F405-F431 HydrophobicContact CZ-CE2 3.76Å; F405-F431 AromaticContact CZ-CZ 3.65Å; F405-F431 HydrophobicContact CZ-CZ 3.65Å; F405-L447 HydrophobicContact CE2-CD1 4.38Å; F405-L447 HydrophobicContact CZ-CD1 3.93Å
406A91.6Very high90.1Very high69 Ų6950.9 Ų50.957%0.5727%0.272SS*.EExtended strand (participates in β ladder)trans-83.6121.5173.600000109.2L395 L396L395-A406 HydrophobicContact CD1-CB 4.42Å; L396-A406 WeakPolarHBondContact O-CA 3.37Å
407M92.1Very high89.7Confident12 Ų1253 Ų536%0.05928%0.282CS..EExtended strand (participates in β ladder)trans-145155.2173.888.5177.1-4900112.4T357 L395 L396 L398 V409 D424 F425T357-M407 HydrophobicContact CG2-SD 3.68Å; L395-M407 VanDerWaalsContact CD1-C 3.49Å; L396-M407 PolarHBondContact N-O 3.04Å; L396-M407 PolarHBondContact O-N 3.12Å; L396-M407 VanDerWaalsContact O-N 3.14Å; L398-M407 HydrophobicContact CD1-CG 3.87Å; L398-M407 HydrophobicContact CD1-SD 3.84Å; M407-V409 HydrophobicContact CG-CG2 3.87Å; M407-V409 PolarHBondContact O-N 2.97Å; M407-D424 HydrophobicContact CE-CB 4.41Å; M407-F425 HydrophobicContact CE-CB 3.75Å; M407-F425 HydrophobicContact CE-CD2 4.25Å; M407-F425 HydrophobicContact SD-CB 3.72Å; M407-F425 HydrophobicContact SD-CD2 3.48Å; M407-F425 WeakPolarHBondContact SD-CD2 3.42Å; M407-F425 HydrophobicContact SD-CG 4.03Å
408E92.7Very high89.6Confident115 Ų11551.7 Ų51.754%0.53728%0.275SS..EExtended strand (participates in β ladder)trans-69.9120.9170.1-172.4178.8-157.200109.6S393S393-E408 WeakPolarHBondContact CB-OE1 3.45Å; S393-E408 PolarHBondContact OG-OE1 2.95Å
409V94.7Very high89.5Confident1 Ų151.6 Ų51.61%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-112.7129.9178.5-179.50000108.3T357 L359 S393 V394 L396 L398 M407T357-V409 HydrophobicContact CG2-CG1 4.35Å; T357-V409 HydrophobicContact CG2-CG2 4.12Å; L359-V409 HydrophobicContact CB-CG1 3.53Å; S393-V409 WeakPolarHBondContact CA-O 3.28Å; V394-V409 PolarHBondContact N-O 3.23Å; V394-V409 PolarHBondContact O-N 3.29Å; L396-V409 HydrophobicContact CB-CG2 4.25Å; L396-V409 HydrophobicContact CD1-CB 4.27Å; L396-V409 HydrophobicContact CD1-CG2 4.35Å; L398-V409 HydrophobicContact CD1-CG2 4Å; L398-V409 HydrophobicContact CD2-CG2 4.3Å; L398-V409 HydrophobicContact CG-CG2 4.43Å; M407-V409 HydrophobicContact CG-CG2 3.87Å; M407-V409 PolarHBondContact O-N 2.97Å
410I94.8Very high89.6Confident7 Ų749.7 Ų49.74%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-88125.3177.7-57.9176.3000108.8R356 T357 L358 L359 V378 L380 V390 V412R356-I410 HydrophobicContact CB-CD1 4.03Å; R356-I410 HydrophobicContact CG-CD1 3.93Å; T357-I410 PolarHBondContact O-N 3.06Å; T357-I410 VanDerWaalsContact O-N 3.09Å; L358-I410 CarbonylContact C-O 3.55Å; L358-I410 WeakPolarHBondContact CA-O 3.26Å; L358-I410 HydrophobicContact CD2-CB 3.83Å; L358-I410 HydrophobicContact CD2-CG2 4.35Å; L359-I410 PolarHBondContact N-O 2.93Å; V378-I410 HydrophobicContact CG1-CD1 4.46Å; L380-I410 HydrophobicContact CD1-CB 4.47Å; L380-I410 HydrophobicContact CD1-CD1 4.17Å; L380-I410 HydrophobicContact CD1-CG2 3.94Å; V390-I410 HydrophobicContact CG1-CG2 3.59Å; V390-I410 HydrophobicContact CG2-CG2 4.25Å; I410-V412 HydrophobicContact CG2-CG1 4.27Å
411V94.5Very high89.8Confident0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-91.1124.9178.5-177.70000109.5L359 F364 L373 M391 G392 V394L359-V411 WeakPolarHBondContact O-CA 3.47Å; F364-V411 HydrophobicContact CB-CG1 3.92Å; F364-V411 HydrophobicContact CB-CG2 4.12Å; F364-V411 HydrophobicContact CD1-CG1 4.34Å; F364-V411 HydrophobicContact CD1-CG2 4.39Å; F364-V411 HydrophobicContact CD2-CG2 3.99Å; F364-V411 HydrophobicContact CG-CG1 4.22Å; F364-V411 HydrophobicContact CG-CG2 3.9Å; L373-V411 HydrophobicContact CD2-CB 3.95Å; L373-V411 HydrophobicContact CD2-CG2 3.64Å; M391-V411 HydrophobicContact CB-CG1 4.46Å; M391-V411 PolarHBondContact N-O 2.89Å; M391-V411 HydrophobicContact SD-CG1 4.39Å; G392-V411 PolarHBondContact O-N 3.34Å; V394-V411 HydrophobicContact CG1-CG2 3.94Å
412V92.4Very high90.1Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-121.9143.6-178.4-64.70000110.6L358 L359 R360 S361 L380 L388 D389 V390 I410 L415L358-V412 HydrophobicContact CB-CG2 4.36Å; L359-V412 PolarHBondContact O-N 3.33Å; R360-V412 CarbonylContact C-O 3.6Å; R360-V412 WeakPolarHBondContact CA-O 3.36Å; S361-V412 PolarHBondContact N-O 3.5Å; L380-V412 HydrophobicContact CD1-CG1 4.16Å; L388-V412 HydrophobicContact CB-CG1 4.45Å; D389-V412 WeakPolarHBondContact O-CA 3.32Å; V390-V412 HydrophobicContact CG2-CG1 4.25Å; I410-V412 HydrophobicContact CG2-CG1 4.27Å; V412-L415 HydrophobicContact CG2-CB 3.98Å; V412-L415 HydrophobicContact CG2-CD2 4.4Å
413D85.7Confident90.5Very high53 Ų5344.1 Ų44.128%0.28323%0.228SC..SBendtrans-68.9-44.4-174.5-171.446.2000112.7S361 D389S361-D413 PolarHBondContact OG-O 3.5Å; S361-D413 PolarHBondContact OG-OD1 3.35Å; D389-D413 HydrophobicContact CB-CB 4.41Å; D389-D413 PolarHBondContact O-N 3.37Å; D389-D413 VanDerWaalsContact O-N 3.08Å
414K81.7Confident90.8Very high167 Ų16741.4 Ų41.473%0.72622%0.218SC*.  trans-123.8105-173-65.7176.4-172.8168.30111.8
415L84.7Confident90.9Very high23 Ų2337.4 Ų37.412%0.1219%0.193CC..  trans-131136.7174.9-172.267.7000110.1L358 R360 V412 F417 L420L358-L415 HydrophobicContact CB-CD2 4.26Å; R360-L415 HydrophobicContact CB-CB 4.19Å; R360-L415 WeakPolarHBondContact CD-O 3.3Å; R360-L415 HydrophobicContact CG-CB 4.11Å; R360-L415 PolarHBondContact NH1-O 2.75Å; R360-L415 VanDerWaalsContact NH1-O 3.17Å; V412-L415 HydrophobicContact CG2-CB 3.98Å; V412-L415 HydrophobicContact CG2-CD2 4.4Å; L415-F417 VanDerWaalsContact C-N 3.28Å; L415-F417 WeakPolarHBondContact CD2-O 3.43Å; L415-F417 WeakPolarHBondContact CG-O 3.4Å; L415-F417 PolarHBondContact O-N 3.17Å; L415-L420 HydrophobicContact CD1-CD1 4.03Å; L415-L420 HydrophobicContact CD1-CG 4.08Å; L415-L420 HydrophobicContact CD2-CG 4.02Å
416Q81.6Confident90.9Very high173 Ų17337.5 Ų37.581%0.80819%0.194SC*.SBendtrans-65-33.7-179.9-71-171.1-5.900112.4
417F86.3Confident90.8Very high46 Ų4642.3 Ų42.320%0.20220%0.202CC..SBendtrans-98.1161.6174.4-60.1-82.7000110.8C334 L349 L415 G419 L420C334-F417 HydrophobicContact CB-CE1 3.74Å; C334-F417 HydrophobicContact CB-CZ 3.91Å; C334-F417 WeakPolarHBondContact SG-CZ 3.42Å; L349-F417 HydrophobicContact CB-CB 4.29Å; L349-F417 HydrophobicContact CB-CD1 4.11Å; L349-F417 HydrophobicContact CB-CD2 4.3Å; L349-F417 HydrophobicContact CB-CG 3.94Å; L349-F417 HydrophobicContact CD2-CD1 4.27Å; L349-F417 HydrophobicContact CD2-CD2 3.53Å; L349-F417 HydrophobicContact CD2-CE1 4.18Å; L349-F417 HydrophobicContact CD2-CE2 3.43Å; L349-F417 VanDerWaalsContact CD2-CE2 3.43Å; L349-F417 HydrophobicContact CD2-CG 3.99Å; L349-F417 HydrophobicContact CD2-CZ 3.8Å; L415-F417 VanDerWaalsContact C-N 3.28Å; L415-F417 WeakPolarHBondContact CD2-O 3.43Å; L415-F417 WeakPolarHBondContact CG-O 3.4Å; L415-F417 PolarHBondContact O-N 3.17Å; F417-G419 PolarHBondContact O-N 3.28Å; F417-L420 HydrophobicContact CB-CD2 4.15Å; F417-L420 HydrophobicContact CD2-CD2 3.97Å; F417-L420 HydrophobicContact CG-CD2 4.35Å
418A89.9Confident90.7Very high18 Ų1847.5 Ų47.515%0.14923%0.23CC..SBendtrans-61.4-32.517500000111.9I346 R360 E363I346-A418 HydrophobicContact CG2-CB 3.78Å; R360-A418 WeakPolarHBondContact CB-O 3.47Å; R360-A418 PolarHBondContact N-O 3.41Å; E363-A418 HydrophobicContact CG-CB 3.88Å
419G92.5Very high90.6Very high0 Ų043.4 Ų43.40%021%0.21CC..EExtended strand (participates in β ladder)trans-168.3164171.200000111M348 L349 L358 F417M348-G419 CarbonylContact C-O 3.6Å; M348-G419 VanDerWaalsContact CA-O 3.29Å; M348-G419 WeakPolarHBondContact CA-O 3.32Å; L349-G419 PolarHBondContact N-O 3.02Å; L358-G419 CarbonylContact O-C 3.55Å; L358-G419 WeakPolarHBondContact O-CA 3.34Å; F417-G419 PolarHBondContact O-N 3.28Å
420L94.7Very high90.2Very high15 Ų1544.6 Ų44.68%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-115.6129.8172.7-55.1-175.8000108.6M348 L349 D351 A354 T357 L358 L415 F417M348-L420 WeakPolarHBondContact CE-O 3.48Å; L349-L420 HydrophobicContact CB-CD2 3.78Å; L349-L420 HydrophobicContact CD2-CD2 3.82Å; L349-L420 HydrophobicContact CG-CD2 4.15Å; L349-L420 CarbonylContact O-C 3.52Å; L349-L420 WeakPolarHBondContact O-CA 3.3Å; D351-L420 HydrophobicContact CB-CD2 4.47Å; A354-L420 HydrophobicContact CB-CB 4.34Å; A354-L420 HydrophobicContact CB-CD1 3.85Å; T357-L420 CarbonylContact C-O 3.42Å; T357-L420 VanDerWaalsContact CA-O 3.28Å; T357-L420 WeakPolarHBondContact CA-O 3.25Å; T357-L420 WeakPolarHBondContact CG2-O 3.12Å; L358-L420 HydrophobicContact CB-CB 4.38Å; L358-L420 HydrophobicContact CD1-CD1 4.12Å; L358-L420 PolarHBondContact N-O 3.46Å; L358-L420 PolarHBondContact O-N 2.9Å; L415-L420 HydrophobicContact CD1-CD1 4.03Å; L415-L420 HydrophobicContact CD1-CG 4.08Å; L415-L420 HydrophobicContact CD2-CG 4.02Å; F417-L420 HydrophobicContact CB-CD2 4.15Å; F417-L420 HydrophobicContact CD2-CD2 3.97Å; F417-L420 HydrophobicContact CG-CD2 4.35Å
421L94.2Very high90.1Very high0 Ų044.9 Ų44.90%022%0.224CC..EExtended strand (participates in β ladder)trans-88.5106.6160.9-71.9176.5000107.5V337 V339 M348 L349 V350 D351 T357 L398 F425V337-L421 HydrophobicContact CG1-CD1 3.31Å; V339-L421 HydrophobicContact CG2-CD1 4Å; V339-L421 HydrophobicContact CG2-CG 4.5Å; M348-L421 HydrophobicContact CB-CG 4.04Å; M348-L421 HydrophobicContact CE-CD2 3.97Å; M348-L421 HydrophobicContact CE-CG 4.23Å; M348-L421 HydrophobicContact SD-CD2 4.14Å; M348-L421 HydrophobicContact SD-CG 4.34Å; L349-L421 PolarHBondContact O-N 2.64Å; V350-L421 HydrophobicContact CG2-CD1 4.49Å; D351-L421 PolarHBondContact N-O 2.71Å; T357-L421 HydrophobicContact CG2-CD2 3.97Å; L398-L421 HydrophobicContact CD1-CD2 4.19Å; L421-F425 HydrophobicContact CB-CD1 4.31Å; L421-F425 HydrophobicContact CD1-CD1 4.14Å; L421-F425 HydrophobicContact CD1-CE1 4.09Å; L421-F425 HydrophobicContact CD2-CB 4.29Å; L421-F425 HydrophobicContact CD2-CD1 3.87Å; L421-F425 HydrophobicContact CD2-CD2 4.25Å; L421-F425 HydrophobicContact CD2-CE1 4.26Å; L421-F425 HydrophobicContact CD2-CG 3.86Å; L421-F425 HydrophobicContact CG-CD1 4.34Å
422G92.4Very high89.8Confident0 Ų049.2 Ų49.20%025%0.25CC..  trans-84.1179.4-177.100000113.3A354 T357 D424 F425 L426A354-G422 CarbonylContact O-C 3.33Å; A354-G422 WeakPolarHBondContact O-CA 3.45Å; T357-G422 PolarHBondContact OG1-N 3.33Å; T357-G422 VanDerWaalsContact OG1-N 3.11Å; G422-D424 WeakPolarHBondContact CA-OD1 3.42Å; G422-D424 PolarHBondContact O-N 2.87Å; G422-F425 PolarHBondContact O-N 3.46Å; G422-L426 WeakPolarHBondContact O-CG 3.42Å; G422-L426 PolarHBondContact O-N 3.02Å; G422-L426 VanDerWaalsContact O-N 3.17Å
423V92.2Very high89.6Confident41 Ų4150.9 Ų50.925%0.24826%0.26CS..Hα-helixtrans-63.2-20.3175.4-79.50000113.6T352 A354 K427T352-V423 WeakPolarHBondContact O-CG1 3.36Å; A354-V423 VanDerWaalsContact O-CG2 3.27Å; A354-V423 WeakPolarHBondContact O-CG2 3.26Å; A354-V423 PolarHBondContact O-N 3.31Å; V423-K427 WeakPolarHBondContact O-CB 3.39Å; V423-K427 VanDerWaalsContact O-CG 3.28Å; V423-K427 WeakPolarHBondContact O-CG 3.39Å; V423-K427 PolarHBondContact O-N 3.45Å
424D93.9Very high89.6Confident37 Ų3750.2 Ų50.220%0.19826%0.256CS..Hα-helixtrans-63.1-47.2172.459.7-19.7000111.7R356 T357 M407 G422 L428R356-D424 WeakPolarHBondContact CA-OD2 3.35Å; T357-D424 VanDerWaalsContact N-CG 3.27Å; T357-D424 PolarHBondContact N-OD1 2.83Å; T357-D424 PolarHBondContact N-OD2 2.91Å; T357-D424 PolarHBondContact OG1-OD1 3.49Å; M407-D424 HydrophobicContact CE-CB 4.41Å; G422-D424 WeakPolarHBondContact CA-OD1 3.42Å; G422-D424 PolarHBondContact O-N 2.87Å; D424-L428 WeakPolarHBondContact O-CB 3.41Å; D424-L428 PolarHBondContact O-N 3.43Å; D424-L428 VanDerWaalsContact O-N 3.12Å
425F94.2Very high89.5Confident0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-67.2-46.1174.8178.8-98.6000111.7T357 V400 F405 M407 L421 G422 H429 F431T357-F425 WeakPolarHBondContact OG1-CB 3.4Å; V400-F425 HydrophobicContact CB-CZ 4.3Å; V400-F425 HydrophobicContact CG2-CE1 4.34Å; V400-F425 HydrophobicContact CG2-CE2 4.37Å; V400-F425 HydrophobicContact CG2-CZ 3.67Å; F405-F425 HydrophobicContact CB-CE2 3.81Å; F405-F425 HydrophobicContact CD2-CE2 4.05Å; F405-F425 AromaticContact CD2-CZ 3.91Å; F405-F425 HydrophobicContact CD2-CZ 3.91Å; F405-F425 HydrophobicContact CE2-CZ 4.32Å; F405-F425 AromaticContact CG-CE2 3.94Å; F405-F425 HydrophobicContact CG-CE2 3.94Å; F405-F425 HydrophobicContact CG-CZ 4.21Å; M407-F425 HydrophobicContact CE-CB 3.75Å; M407-F425 HydrophobicContact CE-CD2 4.25Å; M407-F425 HydrophobicContact SD-CB 3.72Å; M407-F425 HydrophobicContact SD-CD2 3.48Å; M407-F425 WeakPolarHBondContact SD-CD2 3.42Å; M407-F425 HydrophobicContact SD-CG 4.03Å; L421-F425 HydrophobicContact CB-CD1 4.31Å; L421-F425 HydrophobicContact CD1-CD1 4.14Å; L421-F425 HydrophobicContact CD1-CE1 4.09Å; L421-F425 HydrophobicContact CD2-CB 4.29Å; L421-F425 HydrophobicContact CD2-CD1 3.87Å; L421-F425 HydrophobicContact CD2-CD2 4.25Å; L421-F425 HydrophobicContact CD2-CE1 4.26Å; L421-F425 HydrophobicContact CD2-CG 3.86Å; L421-F425 HydrophobicContact CG-CD1 4.34Å; G422-F425 PolarHBondContact O-N 3.46Å; F425-H429 AromaticContact CD2-CE1 3.76Å; F425-H429 AromaticContact CD2-ND1 3.49Å; F425-H429 WeakPolarHBondContact CD2-ND1 3.05Å; F425-H429 AromaticContact CE2-CE1 3.88Å; F425-H429 AromaticContact CE2-ND1 3.59Å; F425-H429 PolarHBondContact O-N 3.33Å; F425-H429 PolarHBondContact O-ND1 2.82Å; F425-H429 VanDerWaalsContact O-ND1 3.07Å; F425-F431 HydrophobicContact CD1-CD2 4.25Å; F425-F431 AromaticContact CE1-CD2 3.62Å; F425-F431 HydrophobicContact CE1-CD2 3.62Å; F425-F431 AromaticContact CE1-CE2 3.51Å; F425-F431 HydrophobicContact CE1-CE2 3.51Å; F425-F431 HydrophobicContact CE1-CZ 4.38Å; F425-F431 HydrophobicContact CZ-CD2 4.14Å; F425-F431 AromaticContact CZ-CE2 3.59Å; F425-F431 HydrophobicContact CZ-CE2 3.59Å; F425-F431 HydrophobicContact CZ-CZ 4.4Å
426L92.7Very high88.9Confident10 Ų1052 Ų525%0.05229%0.287CS..Hα-helixtrans-64.5-44.6-175.5-63.8174.9000112.1V350 T352 G422 G430 F431 V433 L440V350-L426 HydrophobicContact CG1-CD1 4.06Å; V350-L426 HydrophobicContact CG1-CD2 4.13Å; T352-L426 HydrophobicContact CG2-CD1 4.2Å; G422-L426 WeakPolarHBondContact O-CG 3.42Å; G422-L426 PolarHBondContact O-N 3.02Å; G422-L426 VanDerWaalsContact O-N 3.17Å; L426-G430 PolarHBondContact O-N 3.49Å; L426-F431 HydrophobicContact CD2-CB 3.75Å; L426-F431 PolarHBondContact O-N 2.74Å; L426-V433 HydrophobicContact CD1-CG2 4.28Å; L426-L440 HydrophobicContact CD2-CD1 3.76Å
427K89.6Confident88.6Confident170 Ų17052.1 Ų52.174%0.73928%0.28SS*.Hα-helixtrans-72.2-43.7179-71.9-178.5175.8-176.30112.1V423 H429 G430V423-K427 WeakPolarHBondContact O-CB 3.39Å; V423-K427 VanDerWaalsContact O-CG 3.28Å; V423-K427 WeakPolarHBondContact O-CG 3.39Å; V423-K427 PolarHBondContact O-N 3.45Å; K427-H429 PolarHBondContact O-N 3.44Å; K427-G430 PolarHBondContact O-N 3Å
428L90.4Very high88.4Confident122 Ų12251 Ų5164%0.63928%0.282SS*.Hα-helixtrans-61-32.8-176.2-177.562.2000112.5D424D424-L428 WeakPolarHBondContact O-CB 3.41Å; D424-L428 PolarHBondContact O-N 3.43Å; D424-L428 VanDerWaalsContact O-N 3.12Å
429H89.1Confident88.2Confident28 Ų2850.7 Ų50.713%0.1328%0.278CS..THydrogen-bonded Turntrans-112.714.8-176-52.6105.4000113.9F405 F425 K427 F431 C442F405-H429 HydrophobicContact CD1-CB 4.19Å; F405-H429 AromaticContact CD1-CD2 3.25Å; F405-H429 WeakPolarHBondContact CD1-CD2 3.48Å; F405-H429 AromaticContact CD1-CG 3.61Å; F405-H429 AromaticContact CD1-NE2 3.56Å; F405-H429 HydrophobicContact CE1-CB 3.95Å; F405-H429 AromaticContact CE1-CD2 3.77Å; F405-H429 AromaticContact CE1-CG 3.89Å; F425-H429 AromaticContact CD2-CE1 3.76Å; F425-H429 AromaticContact CD2-ND1 3.49Å; F425-H429 WeakPolarHBondContact CD2-ND1 3.05Å; F425-H429 AromaticContact CE2-CE1 3.88Å; F425-H429 AromaticContact CE2-ND1 3.59Å; F425-H429 PolarHBondContact O-N 3.33Å; F425-H429 PolarHBondContact O-ND1 2.82Å; F425-H429 VanDerWaalsContact O-ND1 3.07Å; K427-H429 PolarHBondContact O-N 3.44Å; H429-F431 VanDerWaalsContact C-N 3.34Å; H429-F431 HydrophobicContact CB-CD2 3.78Å; H429-F431 HydrophobicContact CB-CE2 3.76Å; H429-F431 PolarHBondContact O-N 3.27Å; H429-C442 PolarHBondContact O-SG 3.14Å
430G87.2Confident88Confident26 Ų2650.7 Ų50.727%0.26828%0.278SS..THydrogen-bonded Turntrans64.331.4173.500000115.1L426 K427L426-G430 PolarHBondContact O-N 3.49Å; K427-G430 PolarHBondContact O-N 3Å
431F91.7Very high87.7Confident14 Ų1451.5 Ų51.56%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-81.7126.9178-77.6-75.2000112F405 F425 L426 H429 L440 N441 C442 L447 I449F405-F431 HydrophobicContact CE1-CE2 4.23Å; F405-F431 HydrophobicContact CE2-CE2 4.08Å; F405-F431 AromaticContact CE2-CZ 3.9Å; F405-F431 HydrophobicContact CE2-CZ 3.9Å; F405-F431 AromaticContact CZ-CE2 3.76Å; F405-F431 HydrophobicContact CZ-CE2 3.76Å; F405-F431 AromaticContact CZ-CZ 3.65Å; F405-F431 HydrophobicContact CZ-CZ 3.65Å; F425-F431 HydrophobicContact CD1-CD2 4.25Å; F425-F431 AromaticContact CE1-CD2 3.62Å; F425-F431 HydrophobicContact CE1-CD2 3.62Å; F425-F431 AromaticContact CE1-CE2 3.51Å; F425-F431 HydrophobicContact CE1-CE2 3.51Å; F425-F431 HydrophobicContact CE1-CZ 4.38Å; F425-F431 HydrophobicContact CZ-CD2 4.14Å; F425-F431 AromaticContact CZ-CE2 3.59Å; F425-F431 HydrophobicContact CZ-CE2 3.59Å; F425-F431 HydrophobicContact CZ-CZ 4.4Å; L426-F431 HydrophobicContact CD2-CB 3.75Å; L426-F431 PolarHBondContact O-N 2.74Å; H429-F431 VanDerWaalsContact C-N 3.34Å; H429-F431 HydrophobicContact CB-CD2 3.78Å; H429-F431 HydrophobicContact CB-CE2 3.76Å; H429-F431 PolarHBondContact O-N 3.27Å; F431-L440 HydrophobicContact CB-CD1 4.05Å; F431-L440 HydrophobicContact CB-CD2 4.43Å; F431-L440 HydrophobicContact CB-CG 4.14Å; F431-L440 HydrophobicContact CD1-CD1 4.41Å; F431-L440 HydrophobicContact CD1-CD2 3.65Å; F431-L440 HydrophobicContact CD1-CG 3.58Å; F431-L440 HydrophobicContact CE1-CD2 3.98Å; F431-L440 HydrophobicContact CE1-CG 4.26Å; F431-L440 HydrophobicContact CG-CD1 4.5Å; F431-L440 HydrophobicContact CG-CD2 4.03Å; F431-L440 HydrophobicContact CG-CG 4.08Å; F431-N441 CarbonylContact C-O 3.53Å; F431-N441 VanDerWaalsContact CA-O 3.32Å; F431-N441 WeakPolarHBondContact CA-O 3.49Å; F431-C442 HydrophobicContact CD1-CB 3.55Å; F431-C442 HydrophobicContact CE1-CB 3.55Å; F431-C442 HydrophobicContact CG-CB 4.16Å; F431-C442 HydrophobicContact CZ-CB 4.13Å; F431-L447 HydrophobicContact CE1-CB 4.41Å; F431-L447 HydrophobicContact CE1-CD1 4.04Å; F431-L447 HydrophobicContact CZ-CD1 3.85Å; F431-I449 HydrophobicContact CE1-CD1 4.4Å
432V88.9Confident87.3Confident90 Ų9051.5 Ų51.555%0.54528%0.283SS..EExtended strand (participates in β ladder)trans-105.5121.6173.8-179.20000109.4D434 N441V432-D434 PolarHBondContact O-N 3.27Å; V432-N441 PolarHBondContact N-O 2.92Å; V432-N441 PolarHBondContact O-N 3.07Å
433V88.9Confident86.3Confident36 Ų3656.2 Ų56.222%0.21832%0.316CS..EExtended strand (participates in β ladder)trans-81.9103.8174.4-171.30000108.9V350 T352 L426 L435 L440 L451V350-V433 HydrophobicContact CG1-CG2 3.79Å; T352-V433 HydrophobicContact CG2-CG2 4.29Å; L426-V433 HydrophobicContact CD1-CG2 4.28Å; V433-L435 HydrophobicContact CG1-CD2 3.64Å; V433-L435 HydrophobicContact CG1-CG 4.17Å; V433-L435 PolarHBondContact O-N 3.42Å; V433-L440 HydrophobicContact CG2-CD1 3.72Å; V433-L451 HydrophobicContact CG1-CD1 3.9Å
434D84.8Confident85.5Confident38 Ų3862 Ų6220%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-89.892.7173-175.9-19.7000109.4V432 A436 R437 G438 T439 N441V432-D434 PolarHBondContact O-N 3.27Å; D434-A436 VanDerWaalsContact C-N 3.27Å; D434-A436 PolarHBondContact O-N 3.03Å; D434-A436 WeakPolarHBondContact OD1-CB 3.36Å; D434-A436 PolarHBondContact OD1-N 3.49Å; D434-A436 VanDerWaalsContact OD1-N 3.1Å; D434-R437 HydrophobicContact CB-CB 4.42Å; D434-R437 PolarHBondContact O-N 3.3Å; D434-R437 PolarHBondContact OD1-N 2.9Å; D434-R437 WeakPolarHBondContact OD2-CD 3.33Å; D434-R437 VanDerWaalsContact OD2-CG 3.25Å; D434-R437 WeakPolarHBondContact OD2-CG 3.26Å; D434-R437 IonicContact OD2-NE 3.93Å; D434-G438 WeakPolarHBondContact O-CA 3.41Å; D434-G438 PolarHBondContact O-N 3.45Å; D434-T439 WeakPolarHBondContact CA-O 3.48Å; D434-T439 PolarHBondContact N-O 3.33Å; D434-T439 PolarHBondContact O-N 2.68Å; D434-N441 WeakPolarHBondContact CB-ND2 3.39Å
435L79.5Confident84.7Confident128 Ų12863.5 Ų63.567%0.6735%0.346SS*.THydrogen-bonded Turntrans-66.7-27.8-179.9-61.6175.4000112.8L335 V433L335-L435 HydrophobicContact CD1-CD2 3.3Å; V433-L435 HydrophobicContact CG1-CD2 3.64Å; V433-L435 HydrophobicContact CG1-CG 4.17Å; V433-L435 PolarHBondContact O-N 3.42Å
436A72.2Confident83.8Confident100 Ų10073 Ų7383%0.82639%0.387SS*.THydrogen-bonded Turntrans-72.2-38.718000000111.2D434D434-A436 VanDerWaalsContact C-N 3.27Å; D434-A436 PolarHBondContact O-N 3.03Å; D434-A436 WeakPolarHBondContact OD1-CB 3.36Å; D434-A436 PolarHBondContact OD1-N 3.49Å; D434-A436 VanDerWaalsContact OD1-N 3.1Å
437R76.2Confident83.2Confident175 Ų17572.9 Ų72.966%0.6639%0.386SS*.THydrogen-bonded Turntrans-92-11.6177-61.9-172.1173.3178.9-8.9113.8D434 T439D434-R437 HydrophobicContact CB-CB 4.42Å; D434-R437 PolarHBondContact O-N 3.3Å; D434-R437 PolarHBondContact OD1-N 2.9Å; D434-R437 WeakPolarHBondContact OD2-CD 3.33Å; D434-R437 VanDerWaalsContact OD2-CG 3.25Å; D434-R437 WeakPolarHBondContact OD2-CG 3.26Å; D434-R437 IonicContact OD2-NE 3.93Å; R437-T439 HydrophobicContact CB-CG2 4.34Å
438G81.1Confident82.9Confident22 Ų2270.5 Ų70.523%0.22738%0.376CS..THydrogen-bonded Turntrans65.939.7-174.900000112.2D434 L451D434-G438 WeakPolarHBondContact O-CA 3.41Å; D434-G438 PolarHBondContact O-N 3.45Å; G438-L451 PolarHBondContact O-N 3.1Å
439T86.5Confident82.7Confident12 Ų1265.4 Ų65.47%0.07435%0.35CS..EExtended strand (participates in β ladder)trans-131.3141.3-17554.90000112.5D434 R437 N441 K448 I449D434-T439 WeakPolarHBondContact CA-O 3.48Å; D434-T439 PolarHBondContact N-O 3.33Å; D434-T439 PolarHBondContact O-N 2.68Å; R437-T439 HydrophobicContact CB-CG2 4.34Å; T439-N441 PolarHBondContact OG1-ND2 3.39Å; T439-N441 PolarHBondContact OG1-OD1 3.44Å; T439-K448 HydrophobicContact CG2-CG 4.09Å; T439-I449 CarbonylContact C-O 3.47Å; T439-I449 VanDerWaalsContact CA-O 3.31Å; T439-I449 WeakPolarHBondContact CA-O 3.09Å
440L88.1Confident82.3Confident0 Ų068.1 Ų68.10%037%0.369CS..EExtended strand (participates in β ladder)trans-92.7111.4165.2-168.275.8000108.5V350 L426 F431 V433 I449 L451V350-L440 HydrophobicContact CG1-CD1 4.12Å; L426-L440 HydrophobicContact CD2-CD1 3.76Å; F431-L440 HydrophobicContact CB-CD1 4.05Å; F431-L440 HydrophobicContact CB-CD2 4.43Å; F431-L440 HydrophobicContact CB-CG 4.14Å; F431-L440 HydrophobicContact CD1-CD1 4.41Å; F431-L440 HydrophobicContact CD1-CD2 3.65Å; F431-L440 HydrophobicContact CD1-CG 3.58Å; F431-L440 HydrophobicContact CE1-CD2 3.98Å; F431-L440 HydrophobicContact CE1-CG 4.26Å; F431-L440 HydrophobicContact CG-CD1 4.5Å; F431-L440 HydrophobicContact CG-CD2 4.03Å; F431-L440 HydrophobicContact CG-CG 4.08Å; V433-L440 HydrophobicContact CG2-CD1 3.72Å; L440-I449 HydrophobicContact CB-CB 4.42Å; L440-I449 PolarHBondContact N-O 2.66Å; L440-I449 PolarHBondContact O-N 3.12Å; L440-L451 HydrophobicContact CB-CD2 4.07Å; L440-L451 HydrophobicContact CB-CG 4.42Å
441N87.7Confident82.1Confident32 Ų3267.8 Ų67.817%0.17136%0.362CS..EExtended strand (participates in β ladder)trans-107.6135-174.7-60.8-48.2000110.3F431 V432 D434 T439 L447 K448F431-N441 CarbonylContact C-O 3.53Å; F431-N441 VanDerWaalsContact CA-O 3.32Å; F431-N441 WeakPolarHBondContact CA-O 3.49Å; V432-N441 PolarHBondContact N-O 2.92Å; V432-N441 PolarHBondContact O-N 3.07Å; D434-N441 WeakPolarHBondContact CB-ND2 3.39Å; T439-N441 PolarHBondContact OG1-ND2 3.39Å; T439-N441 PolarHBondContact OG1-OD1 3.44Å; N441-L447 CarbonylContact C-O 3.59Å; N441-L447 VanDerWaalsContact CA-O 3.31Å; N441-L447 WeakPolarHBondContact CA-O 3.25Å; N441-K448 WeakPolarHBondContact OD1-CG 3.46Å
442C85.5Confident81.3Confident1 Ų171.2 Ų71.21%0.00738%0.378CS..EExtended strand (participates in β ladder)trans-121.7109.1163.8172.90000107.4H429 F431 Q445 K446 L447H429-C442 PolarHBondContact O-SG 3.14Å; F431-C442 HydrophobicContact CD1-CB 3.55Å; F431-C442 HydrophobicContact CE1-CB 3.55Å; F431-C442 HydrophobicContact CG-CB 4.16Å; F431-C442 HydrophobicContact CZ-CB 4.13Å; C442-Q445 HydrophobicContact CB-CB 4.47Å; C442-Q445 PolarHBondContact O-N 3.41Å; C442-K446 PolarHBondContact O-N 2.88Å; C442-L447 HydrophobicContact CB-CB 4.17Å; C442-L447 PolarHBondContact N-O 3.2Å; C442-L447 PolarHBondContact O-N 3Å
443S73.2Confident79.9Confident99 Ų9970.9 Ų70.969%0.69238%0.38SS*.THydrogen-bonded Turntrans-63.5-42.9-177.642.90000111.7Q445 K446S443-Q445 VanDerWaalsContact C-N 3.29Å; S443-Q445 PolarHBondContact O-N 3.27Å; S443-K446 PolarHBondContact O-N 3.4Å
444E75.2Confident78.3Confident162 Ų16271.2 Ų71.276%0.75739%0.386SS*.THydrogen-bonded Turntrans-61.7-37.2-178.5-64.4-177.7177.300112.4
445Q75.5Confident76.1Confident69 Ų6971.9 Ų71.932%0.32240%0.402SS..THydrogen-bonded Turntrans-100.24-178.2-59-164.20.300114C442 S443 L447C442-Q445 HydrophobicContact CB-CB 4.47Å; C442-Q445 PolarHBondContact O-N 3.41Å; S443-Q445 VanDerWaalsContact C-N 3.29Å; S443-Q445 PolarHBondContact O-N 3.27Å; Q445-L447 HydrophobicContact CB-CD1 4Å; Q445-L447 HydrophobicContact CB-CG 3.92Å; Q445-L447 PolarHBondContact O-N 3.41Å
446K75.4Confident73.8Confident198 Ų19877.5 Ų77.586%0.86141%0.414SS*.THydrogen-bonded Turntrans53.333.3-174.9-59.5-179.9179.8177.30113.3C442 S443C442-K446 PolarHBondContact O-N 2.88Å; S443-K446 PolarHBondContact O-N 3.4Å
447L81.2Confident71.7Confident8 Ų877 Ų774%0.04241%0.41CS..EExtended strand (participates in β ladder)trans-92.3135.4178.1-64.7174.8000110.9D402 K403 F405 F431 N441 C442 Q445D402-L447 WeakPolarHBondContact OD1-CD2 3.33Å; K403-L447 HydrophobicContact CB-CD1 3.96Å; K403-L447 HydrophobicContact CG-CD1 3.82Å; K403-L447 HydrophobicContact CG-CD2 3.83Å; K403-L447 HydrophobicContact CG-CG 4.17Å; F405-L447 HydrophobicContact CE2-CD1 4.38Å; F405-L447 HydrophobicContact CZ-CD1 3.93Å; F431-L447 HydrophobicContact CE1-CB 4.41Å; F431-L447 HydrophobicContact CE1-CD1 4.04Å; F431-L447 HydrophobicContact CZ-CD1 3.85Å; N441-L447 CarbonylContact C-O 3.59Å; N441-L447 VanDerWaalsContact CA-O 3.31Å; N441-L447 WeakPolarHBondContact CA-O 3.25Å; C442-L447 HydrophobicContact CB-CB 4.17Å; C442-L447 PolarHBondContact N-O 3.2Å; C442-L447 PolarHBondContact O-N 3Å; Q445-L447 HydrophobicContact CB-CD1 4Å; Q445-L447 HydrophobicContact CB-CG 3.92Å; Q445-L447 PolarHBondContact O-N 3.41Å
448K83.1Confident69.5Low120 Ų12074.9 Ų74.952%0.52242%0.422SS..EExtended strand (participates in β ladder)trans-138.399.4171.5176.9159.1-173-170.90109.4T439 N441T439-K448 HydrophobicContact CG2-CG 4.09Å; N441-K448 WeakPolarHBondContact OD1-CG 3.46Å
449I85.2Confident67.1Low16 Ų1676.9 Ų76.98%0.08244%0.443CS..EExtended strand (participates in β ladder)trans-108.5120.7-169.5-53.2173.6000109V337 V400 F431 T439 L440 L451V337-I449 HydrophobicContact CG2-CG2 3.58Å; V400-I449 HydrophobicContact CB-CD1 4.49Å; V400-I449 HydrophobicContact CG1-CD1 3.64Å; F431-I449 HydrophobicContact CE1-CD1 4.4Å; T439-I449 CarbonylContact C-O 3.47Å; T439-I449 VanDerWaalsContact CA-O 3.31Å; T439-I449 WeakPolarHBondContact CA-O 3.09Å; L440-I449 HydrophobicContact CB-CB 4.42Å; L440-I449 PolarHBondContact N-O 2.66Å; L440-I449 PolarHBondContact O-N 3.12Å; I449-L451 PolarHBondContact O-N 2.98Å
450P80.7Confident64.3Low84 Ų8484.9 Ų84.955%0.54549%0.485SS..EExtended strand (participates in β ladder)trans-67.4131.2177.826-31.9000111.2
451L83Confident61.4Low20 Ų2087.6 Ų87.611%0.10551%0.513CS..PPolyproline II helixtrans-80.3132.4175.3-65.3167.3000109.6L335 V350 V433 G438 L440 I449L335-L451 HydrophobicContact CB-CB 4.2Å; L335-L451 HydrophobicContact CB-CD1 4.19Å; L335-L451 HydrophobicContact CB-CD2 4.43Å; L335-L451 HydrophobicContact CD1-CD1 4.07Å; L335-L451 HydrophobicContact CD2-CB 3.84Å; L335-L451 HydrophobicContact CD2-CD1 4.29Å; L335-L451 HydrophobicContact CG-CD1 4.42Å; V350-L451 HydrophobicContact CB-CD2 4.31Å; V350-L451 HydrophobicContact CG2-CD2 3.68Å; V433-L451 HydrophobicContact CG1-CD1 3.9Å; G438-L451 PolarHBondContact O-N 3.1Å; L440-L451 HydrophobicContact CB-CD2 4.07Å; L440-L451 HydrophobicContact CB-CG 4.42Å; I449-L451 PolarHBondContact O-N 2.98Å
452Q76.2Confident58.6Low85 Ų8590.5 Ų90.540%0.39754%0.541SS..EExtended strand (participates in β ladder)trans-103.5138.6-176.7-59.5178.64.500110.3C336C336-Q452 PolarHBondContact N-O 2.71Å; C336-Q452 PolarHBondContact O-N 3.5Å
453S59.9Low56Low84 Ų84102.4 Ų102.459%0.58759%0.586SS**EExtended strand (participates in β ladder)trans-75.5133.4174-1.70000110.6C334 G455C334-S453 WeakPolarHBondContact O-CA 3.37Å; S453-G455 VanDerWaalsContact C-N 3.32Å; S453-G455 PolarHBondContact O-N 3.47Å
454A53.9Low53.9Low42 Ų42101.8 Ų101.835%0.34758%0.581SS.*  trans-72.975.7178.100000113.1C334C334-A454 HydrophobicContact CB-CB 4.2Å; C334-A454 PolarHBondContact O-N 3.16Å
455G39.7Very low51.6Low52 Ų52100.9 Ų100.954%0.53659%0.587SS.*  trans-88.3131166.300000111.7S453 A457S453-G455 VanDerWaalsContact C-N 3.32Å; S453-G455 PolarHBondContact O-N 3.47Å; G455-A457 PolarHBondContact O-N 2.81Å
456R29.7Very low49.3Very low247 Ų247101.7 Ų101.793%0.93260%0.6SS**  trans-57.6115.7177.2-78.4-179.2-176.9-174.20.5111.2
457A30Very low47Very low90 Ų9099 Ų9974%0.74460%0.603SS**  trans-13079.7149.500000107.2G455G455-A457 PolarHBondContact O-N 2.81Å
458S29.7Very low44.6Very low130 Ų130101.5 Ų101.591%0.90963%0.63SS**  trans-88.2114.3157.4-176.40000105.8
459G29.3Very low42Very low64 Ų64106.4 Ų106.466%0.6665%0.652SS**SBendtrans169.1100.4-175.600000107.5G461G459-G461 PolarHBondContact O-N 3.32Å
460N28.6Very low39.4Very low179 Ų179110 Ų11096%0.95768%0.678SS**  trans-48.8102.1-176.8-68.5-27.8000112
461G27.1Very low37.4Very low57 Ų57108.3 Ų108.359%0.58867%0.671SS**  trans-131.9108.716800000107.9G459 W463G459-G461 PolarHBondContact O-N 3.32Å; G461-W463 PolarHBondContact O-N 2.93Å
462A28.1Very low36.2Very low93 Ų93110.8 Ų110.877%0.76969%0.69SS**  trans-51.4129.3-176.200000112.5S464A462-S464 PolarHBondContact O-N 3.47Å
463W31Very low35.3Very low252 Ų252111.8 Ų111.896%0.95570%0.702SS**  trans-75.671.8159.6-68.362.5000107.3G461G461-W463 PolarHBondContact O-N 2.93Å
464S28.8Very low35.5Very low85 Ų85110.4 Ų110.459%0.59469%0.692SS**  trans-87.3114.21681770000108.4A462 S466A462-S464 PolarHBondContact O-N 3.47Å; S464-S466 PolarHBondContact O-N 3.31Å; S464-S466 VanDerWaalsContact O-N 3.13Å; S464-S466 PolarHBondContact OG-OG 2.95Å
465V27.2Very low36.3Very low144 Ų144111.9 Ų111.987%0.87369%0.692SS**  trans-74.293.7165.3-179.50000106.5
466S27.8Very low37.8Very low85 Ų85115.9 Ų115.959%0.59469%0.691SS**  trans-108.3126.2161.4-63.50000107.7S464 G468S464-S466 PolarHBondContact O-N 3.31Å; S464-S466 VanDerWaalsContact O-N 3.13Å; S464-S466 PolarHBondContact OG-OG 2.95Å; S466-G468 PolarHBondContact O-N 3.46Å
467P27.2Very low40.1Very low143 Ų143105.1 Ų105.193%0.92965%0.652SS**  trans-73.379.2174.230.2-31.2000108.8
468G29.9Very low42.3Very low59 Ų59101 Ų10161%0.60862%0.617SS**  trans-132.2114.3179.200000109.9S466 S470S466-G468 PolarHBondContact O-N 3.46Å; G468-S470 PolarHBondContact O-N 3.36Å
469K28.9Very low44.5Very low224 Ų22498 Ų9897%0.97459%0.588SS**  trans-50.1102.6-172.1-63.4167.9178.5174.40113.5
470S31.8Very low46.8Very low92 Ų92101.7 Ų101.764%0.64358%0.583SS**  trans-11897.7157.9177.10000108.8G468 S472G468-S470 PolarHBondContact O-N 3.36Å; S470-S472 PolarHBondContact O-N 3.01Å
471A36.9Very low49.3Very low48 Ų4893.2 Ų93.240%0.39754%0.537SS..  trans-47126.8176.100000110.9E475 R476A471-E475 HydrophobicContact CB-CB 4Å; A471-E475 HydrophobicContact CB-CG 4.08Å; A471-R476 HydrophobicContact CB-CG 4.15Å
472S57.5Low51.8Low71 Ų7191.1 Ų91.150%0.49751%0.512SS..  trans-52.8152.5177.971.80000110.3S470 S474 E475 R476S470-S472 PolarHBondContact O-N 3.01Å; S472-S474 PolarHBondContact O-N 3.42Å; S472-E475 WeakPolarHBondContact O-CA 3.33Å; S472-E475 WeakPolarHBondContact O-CB 3.29Å; S472-E475 PolarHBondContact O-N 3.29Å; S472-E475 PolarHBondContact OG-N 3.48Å; S472-R476 PolarHBondContact O-N 2.99Å
473T57.9Low54Low107 Ų10792.8 Ų92.866%0.65650%0.504SS*.Hα-helixtrans-50.6-34.5178.6-53.50000112.1M477T473-M477 PolarHBondContact O-N 3.19Å; T473-M477 VanDerWaalsContact O-N 3.14Å
474S65Low56Low54 Ų5483 Ų8338%0.37847%0.474SS..Hα-helixtrans-65.2-45.7172.8-53.20000112.3S472 R476 M477 L478S472-S474 PolarHBondContact O-N 3.42Å; S474-R476 PolarHBondContact O-N 3.2Å; S474-M477 WeakPolarHBondContact O-CB 3.5Å; S474-M477 PolarHBondContact O-N 3.09Å; S474-M477 VanDerWaalsContact O-N 3.12Å; S474-L478 VanDerWaalsContact O-CG 3.22Å; S474-L478 WeakPolarHBondContact O-CG 3.43Å; S474-L478 PolarHBondContact O-N 3.1Å
475E69.5Low58.1Low73 Ų7380.2 Ų80.234%0.34145%0.454SS..Hα-helixtrans-64.3-39.4179.1-166.663.1-149.600112.1A471 S472 M477 L478 Q479 R498A471-E475 HydrophobicContact CB-CB 4Å; A471-E475 HydrophobicContact CB-CG 4.08Å; S472-E475 WeakPolarHBondContact O-CA 3.33Å; S472-E475 WeakPolarHBondContact O-CB 3.29Å; S472-E475 PolarHBondContact O-N 3.29Å; S472-E475 PolarHBondContact OG-N 3.48Å; E475-M477 VanDerWaalsContact C-N 3.3Å; E475-M477 PolarHBondContact O-N 3.13Å; E475-L478 PolarHBondContact O-N 3.15Å; E475-Q479 VanDerWaalsContact O-CB 3.22Å; E475-Q479 WeakPolarHBondContact O-CB 3.49Å; E475-Q479 PolarHBondContact O-N 2.81Å; E475-R498 IonicContact OE1-NH1 3.59Å; E475-R498 PolarHBondContact OE1-NH1 2.99Å
476R72Confident59.9Low137 Ų13775.5 Ų75.552%0.51743%0.434SS..Hα-helixtrans-63.8-35.8173.4-68.8-173.8-174-171.4-0.1112.2A471 S472 S474 R480A471-R476 HydrophobicContact CB-CG 4.15Å; S472-R476 PolarHBondContact O-N 2.99Å; S474-R476 PolarHBondContact O-N 3.2Å; R476-R480 VanDerWaalsContact O-CG 3.29Å; R476-R480 WeakPolarHBondContact O-CG 3.37Å; R476-R480 PolarHBondContact O-N 3.37Å; R476-R480 VanDerWaalsContact O-N 3.17Å
477M77Confident61.7Low21 Ų2172.8 Ų72.810%0.10342%0.417CS..Hα-helixtrans-67.9-48.3176.3-175.4-155.4-67.800111T473 S474 E475 Q479 R480 L481 F508 S639T473-M477 PolarHBondContact O-N 3.19Å; T473-M477 VanDerWaalsContact O-N 3.14Å; S474-M477 WeakPolarHBondContact O-CB 3.5Å; S474-M477 PolarHBondContact O-N 3.09Å; S474-M477 VanDerWaalsContact O-N 3.12Å; E475-M477 VanDerWaalsContact C-N 3.3Å; E475-M477 PolarHBondContact O-N 3.13Å; M477-Q479 VanDerWaalsContact C-N 3.32Å; M477-Q479 PolarHBondContact O-N 3.17Å; M477-R480 PolarHBondContact O-N 3.08Å; M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 PolarHBondContact O-N 2.64Å; M477-F508 HydrophobicContact CE-CB 3.93Å; M477-F508 HydrophobicContact SD-CB 3.29Å; M477-F508 WeakPolarHBondContact SD-CB 3.06Å; M477-F508 HydrophobicContact SD-CD2 4.42Å; M477-F508 HydrophobicContact SD-CG 3.91Å; M477-S639 WeakPolarHBondContact CG-OG 3.39Å
478L76.7Confident63.8Low4 Ų471.8 Ų71.82%0.02141%0.411CS..Hα-helixtrans-59.9-44.8178.2-67.5171.7000111S474 E475 R480 L481 I482 L501S474-L478 VanDerWaalsContact O-CG 3.22Å; S474-L478 WeakPolarHBondContact O-CG 3.43Å; S474-L478 PolarHBondContact O-N 3.1Å; E475-L478 PolarHBondContact O-N 3.15Å; L478-R480 PolarHBondContact O-N 3.26Å; L478-L481 PolarHBondContact O-N 3.12Å; L478-I482 WeakPolarHBondContact O-CG1 3.44Å; L478-I482 PolarHBondContact O-N 3.18Å; L478-L501 VanDerWaalsContact CD2-C 3.45Å; L478-L501 HydrophobicContact CD2-CB 3.42Å; L478-L501 VanDerWaalsContact CD2-CB 3.42Å; L478-L501 WeakPolarHBondContact CD2-O 3.44Å
479Q75.9Confident65.9Low65 Ų6569.6 Ų69.630%0.30439%0.385SS..Hα-helixtrans-60.7-45.1178-173.161.324.500111.6E475 M477 L481 I482 E483E475-Q479 VanDerWaalsContact O-CB 3.22Å; E475-Q479 WeakPolarHBondContact O-CB 3.49Å; E475-Q479 PolarHBondContact O-N 2.81Å; M477-Q479 VanDerWaalsContact C-N 3.32Å; M477-Q479 PolarHBondContact O-N 3.17Å; Q479-L481 VanDerWaalsContact C-N 3.35Å; Q479-L481 PolarHBondContact O-N 3.42Å; Q479-I482 PolarHBondContact O-N 2.79Å; Q479-E483 VanDerWaalsContact CG-OE1 3.25Å; Q479-E483 WeakPolarHBondContact CG-OE1 3.29Å; Q479-E483 PolarHBondContact NE2-OE1 3.46Å; Q479-E483 WeakPolarHBondContact O-CB 3.31Å; Q479-E483 VanDerWaalsContact O-CG 3.29Å; Q479-E483 WeakPolarHBondContact O-CG 3.29Å; Q479-E483 PolarHBondContact O-N 3.25Å
480R78.9Confident68.4Low142 Ų14262.6 Ų62.654%0.53636%0.361SS..Hα-helixtrans-62.5-38.9175.4-73.7177.3-157.1179.93.1113R476 M477 L478 I482 E483 S484R476-R480 VanDerWaalsContact O-CG 3.29Å; R476-R480 WeakPolarHBondContact O-CG 3.37Å; R476-R480 PolarHBondContact O-N 3.37Å; R476-R480 VanDerWaalsContact O-N 3.17Å; M477-R480 PolarHBondContact O-N 3.08Å; L478-R480 PolarHBondContact O-N 3.26Å; R480-I482 VanDerWaalsContact C-N 3.34Å; R480-E483 PolarHBondContact O-N 2.85Å; R480-S484 VanDerWaalsContact O-CB 3.25Å; R480-S484 WeakPolarHBondContact O-CB 3.33Å; R480-S484 PolarHBondContact O-N 3.36Å; R480-S484 PolarHBondContact O-OG 2.74Å
481L81Confident70.7Confident2 Ų264.4 Ų64.41%0.0137%0.368CS..Hα-helixtrans-64.4-41.1177.4-76.8169.3000111.1M477 L478 Q479 S484 L501 F508 C642 L644M477-L481 HydrophobicContact CG-CD1 4.43Å; M477-L481 PolarHBondContact O-N 2.64Å; L478-L481 PolarHBondContact O-N 3.12Å; Q479-L481 VanDerWaalsContact C-N 3.35Å; Q479-L481 PolarHBondContact O-N 3.42Å; L481-S484 WeakPolarHBondContact CA-OG 3.38Å; L481-S484 PolarHBondContact O-N 2.66Å; L481-S484 PolarHBondContact O-OG 3.32Å; L481-L501 HydrophobicContact CB-CD1 4.08Å; L481-F508 HydrophobicContact CD1-CD1 4.04Å; L481-F508 HydrophobicContact CD1-CD2 4.48Å; L481-F508 HydrophobicContact CD1-CE1 3.73Å; L481-F508 HydrophobicContact CD1-CE2 4.2Å; L481-F508 HydrophobicContact CD1-CG 4.41Å; L481-F508 HydrophobicContact CD1-CZ 3.82Å; L481-C642 HydrophobicContact CD2-CB 3.83Å; L481-L644 HydrophobicContact CD2-CD1 4.34Å
482I78.9Confident72.8Confident12 Ų1265.8 Ų65.86%0.06237%0.374CS..Hα-helixtrans-67.2-44.4175.9-65166.2000110.7L478 Q479 R480 S484 T485 R498 L501L478-I482 WeakPolarHBondContact O-CG1 3.44Å; L478-I482 PolarHBondContact O-N 3.18Å; Q479-I482 PolarHBondContact O-N 2.79Å; R480-I482 VanDerWaalsContact C-N 3.34Å; I482-S484 PolarHBondContact O-N 2.96Å; I482-T485 WeakPolarHBondContact O-CB 3.39Å; I482-T485 WeakPolarHBondContact O-CG2 3.47Å; I482-T485 PolarHBondContact O-N 3Å; I482-T485 VanDerWaalsContact O-N 3.12Å; I482-T485 PolarHBondContact O-OG1 3.31Å; I482-R498 HydrophobicContact CD1-CB 3.79Å; I482-R498 HydrophobicContact CD1-CG 3.96Å; I482-L501 HydrophobicContact CG1-CD1 4.11Å
483E74.7Confident74Confident129 Ų12964 Ų6460%0.60336%0.358SS*.Hα-helixtrans-65.6-26.3176.5-72.8167.7-177.400112.9Q479 R480 T485Q479-E483 VanDerWaalsContact CG-OE1 3.25Å; Q479-E483 WeakPolarHBondContact CG-OE1 3.29Å; Q479-E483 PolarHBondContact NE2-OE1 3.46Å; Q479-E483 WeakPolarHBondContact O-CB 3.31Å; Q479-E483 VanDerWaalsContact O-CG 3.29Å; Q479-E483 WeakPolarHBondContact O-CG 3.29Å; Q479-E483 PolarHBondContact O-N 3.25Å; R480-E483 PolarHBondContact O-N 2.85Å; E483-T485 PolarHBondContact O-N 2.94Å
484S72.6Confident75.1Confident46 Ų4662.9 Ų62.932%0.32235%0.346SS..THydrogen-bonded Turntrans-800.2175.674.60000114.1R480 L481 I482 G486R480-S484 VanDerWaalsContact O-CB 3.25Å; R480-S484 WeakPolarHBondContact O-CB 3.33Å; R480-S484 PolarHBondContact O-N 3.36Å; R480-S484 PolarHBondContact O-OG 2.74Å; L481-S484 WeakPolarHBondContact CA-OG 3.38Å; L481-S484 PolarHBondContact O-N 2.66Å; L481-S484 PolarHBondContact O-OG 3.32Å; I482-S484 PolarHBondContact O-N 2.96Å; S484-G486 PolarHBondContact O-N 2.97Å
485T73.8Confident76Confident26 Ų2662.4 Ų62.416%0.1635%0.349CS..  trans-70.4124.1176.859.20000110.7I482 E483 A487 L489 L497 L644 F645I482-T485 WeakPolarHBondContact O-CB 3.39Å; I482-T485 WeakPolarHBondContact O-CG2 3.47Å; I482-T485 PolarHBondContact O-N 3Å; I482-T485 VanDerWaalsContact O-N 3.12Å; I482-T485 PolarHBondContact O-OG1 3.31Å; E483-T485 PolarHBondContact O-N 2.94Å; T485-A487 VanDerWaalsContact C-N 3.32Å; T485-A487 PolarHBondContact O-N 3.41Å; T485-L489 HydrophobicContact CG2-CD1 4.08Å; T485-L497 HydrophobicContact CG2-CD2 3.83Å; T485-L644 WeakPolarHBondContact CA-O 3.23Å; T485-L644 HydrophobicContact CG2-CB 4.48Å; T485-F645 HydrophobicContact CG2-CB 4.2Å; T485-F645 HydrophobicContact CG2-CD2 4.02Å; T485-F645 HydrophobicContact CG2-CG 4.49Å
486G63.9Low76.8Confident45 Ų4564.2 Ų64.246%0.46436%0.356SS..SBendtrans-84.31.2-174.200000115.1S484 L644 F645S484-G486 PolarHBondContact O-N 2.97Å; G486-L644 PolarHBondContact N-O 2.96Å; G486-F645 CarbonylContact C-O 3.56Å; G486-F645 WeakPolarHBondContact CA-O 3.37Å; G486-F645 PolarHBondContact N-O 3.18Å
487A66.7Low77.5Confident28 Ų2857.7 Ų57.723%0.23133%0.331CS..SBendtrans-123.2143178.200000110.4T485 L489 F645T485-A487 VanDerWaalsContact C-N 3.32Å; T485-A487 PolarHBondContact O-N 3.41Å; A487-L489 PolarHBondContact O-N 3.31Å; A487-F645 VanDerWaalsContact CB-O 3.28Å; A487-F645 WeakPolarHBondContact CB-O 3.45Å; A487-F645 PolarHBondContact N-O 3.36Å
488P69.4Low77.9Confident123 Ų12360.7 Ų60.780%0.79934%0.341SS*.  trans-67.794.6173.127.4-32000109.4
489L74.2Confident78.3Confident13 Ų1362.6 Ų62.67%0.06836%0.363CS..  trans-70.5138.1171.6-65.7174.8000109.5T485 A487 Q493 Q494 L497 F645T485-L489 HydrophobicContact CG2-CD1 4.08Å; A487-L489 PolarHBondContact O-N 3.31Å; L489-Q493 HydrophobicContact CB-CB 4.04Å; L489-Q493 HydrophobicContact CD2-CB 4.26Å; L489-Q494 HydrophobicContact CB-CG 3.61Å; L489-Q494 PolarHBondContact O-NE2 3.48Å; L489-Q494 VanDerWaalsContact O-NE2 3.1Å; L489-L497 HydrophobicContact CD1-CD2 3.47Å; L489-L497 VanDerWaalsContact CD1-CD2 3.47Å; L489-F645 HydrophobicContact CD1-CD2 4.49Å; L489-F645 HydrophobicContact CD1-CG 4.38Å; L489-F645 HydrophobicContact CD2-CD1 3.83Å; L489-F645 HydrophobicContact CD2-CE1 4.28Å; L489-F645 HydrophobicContact CD2-CG 4.24Å
490T81.4Confident79Confident77 Ų7760.3 Ų60.347%0.47235%0.352SS..  trans-61.8158173.4680000110.8S492 Q493 Q494T490-S492 PolarHBondContact O-N 3.39Å; T490-S492 VanDerWaalsContact O-N 3.16Å; T490-Q493 CarbonylContact O-C 3.53Å; T490-Q493 WeakPolarHBondContact O-CA 3.28Å; T490-Q493 WeakPolarHBondContact O-CB 3.44Å; T490-Q493 PolarHBondContact O-N 2.65Å; T490-Q493 VanDerWaalsContact OG1-CG 3.3Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.29Å; T490-Q493 PolarHBondContact OG1-N 3.33Å; T490-Q493 PolarHBondContact OG1-OE1 3.38Å; T490-Q494 WeakPolarHBondContact O-CG 3.44Å; T490-Q494 PolarHBondContact O-N 3.44Å
491V80.2Confident79.4Confident129 Ų12953.6 Ų53.678%0.78233%0.327SS*.Hα-helixtrans-53.8-39.6178.1179.80000111.5Q494 G495V491-Q494 PolarHBondContact O-N 3.31Å; V491-G495 PolarHBondContact O-N 2.95Å
492S82.3Confident79.7Confident77 Ų7756.4 Ų56.454%0.53835%0.347SS..Hα-helixtrans-62.9-45.6174.3-176.50000112.3T490 G495 K496T490-S492 PolarHBondContact O-N 3.39Å; T490-S492 VanDerWaalsContact O-N 3.16Å; S492-G495 PolarHBondContact O-N 3.14Å; S492-K496 WeakPolarHBondContact O-CG 3.3Å; S492-K496 PolarHBondContact O-N 3.06Å
493Q81.7Confident80.1Confident33 Ų3363.2 Ų63.215%0.15438%0.376CS..Hα-helixtrans-66.4-40.5177.7-73.9168.7-21.600112.4L489 T490 G495 K496 L497 I620L489-Q493 HydrophobicContact CB-CB 4.04Å; L489-Q493 HydrophobicContact CD2-CB 4.26Å; T490-Q493 CarbonylContact O-C 3.53Å; T490-Q493 WeakPolarHBondContact O-CA 3.28Å; T490-Q493 WeakPolarHBondContact O-CB 3.44Å; T490-Q493 PolarHBondContact O-N 2.65Å; T490-Q493 VanDerWaalsContact OG1-CG 3.3Å; T490-Q493 WeakPolarHBondContact OG1-CG 3.29Å; T490-Q493 PolarHBondContact OG1-N 3.33Å; T490-Q493 PolarHBondContact OG1-OE1 3.38Å; Q493-G495 VanDerWaalsContact C-N 3.31Å; Q493-G495 PolarHBondContact O-N 3.24Å; Q493-K496 PolarHBondContact O-N 3.04Å; Q493-L497 VanDerWaalsContact O-CB 3.28Å; Q493-L497 WeakPolarHBondContact O-CB 3.45Å; Q493-L497 PolarHBondContact O-N 3.21Å; Q493-I620 HydrophobicContact CB-CD1 4.41Å
494Q81.4Confident80.8Confident84 Ų8457.6 Ų57.639%0.39335%0.349SS..Hα-helixtrans-61.6-41174-68.8-176.47.500111.3L489 T490 V491 L497 R498L489-Q494 HydrophobicContact CB-CG 3.61Å; L489-Q494 PolarHBondContact O-NE2 3.48Å; L489-Q494 VanDerWaalsContact O-NE2 3.1Å; T490-Q494 WeakPolarHBondContact O-CG 3.44Å; T490-Q494 PolarHBondContact O-N 3.44Å; V491-Q494 PolarHBondContact O-N 3.31Å; Q494-L497 PolarHBondContact O-N 2.88Å; Q494-R498 VanDerWaalsContact O-CB 3.29Å; Q494-R498 WeakPolarHBondContact O-CB 3.37Å; Q494-R498 PolarHBondContact O-N 3.46Å
495G83.6Confident81.4Confident44 Ų4457.1 Ų57.145%0.45435%0.345SS..Hα-helixtrans-60.9-49173.400000112.4V491 S492 Q493 R498 G499V491-G495 PolarHBondContact O-N 2.95Å; S492-G495 PolarHBondContact O-N 3.14Å; Q493-G495 VanDerWaalsContact C-N 3.31Å; Q493-G495 PolarHBondContact O-N 3.24Å; G495-R498 PolarHBondContact O-N 3.36Å; G495-G499 PolarHBondContact O-N 2.61Å
496K85.7Confident81.9Confident111 Ų11161.1 Ų61.148%0.48337%0.366SS..Hα-helixtrans-59.9-45.8175.5-72.9-177-177.3-1740112S492 Q493 G499 M500 I620S492-K496 WeakPolarHBondContact O-CG 3.3Å; S492-K496 PolarHBondContact O-N 3.06Å; Q493-K496 PolarHBondContact O-N 3.04Å; K496-G499 PolarHBondContact O-N 3.29Å; K496-M500 WeakPolarHBondContact O-CB 3.41Å; K496-M500 PolarHBondContact O-N 3.34Å; K496-I620 HydrophobicContact CB-CD1 4.02Å
497L86.6Confident83Confident0 Ų059 Ų590%034%0.344CS..Hα-helixtrans-62.7-46.2178.1178.260.7000111.2T485 L489 Q493 Q494 G499 M500 L501 I620 L623 F645T485-L497 HydrophobicContact CG2-CD2 3.83Å; L489-L497 HydrophobicContact CD1-CD2 3.47Å; L489-L497 VanDerWaalsContact CD1-CD2 3.47Å; Q493-L497 VanDerWaalsContact O-CB 3.28Å; Q493-L497 WeakPolarHBondContact O-CB 3.45Å; Q493-L497 PolarHBondContact O-N 3.21Å; Q494-L497 PolarHBondContact O-N 2.88Å; L497-G499 PolarHBondContact O-N 3.47Å; L497-M500 HydrophobicContact CD1-CE 3.67Å; L497-M500 PolarHBondContact O-N 3.44Å; L497-L501 HydrophobicContact CD1-CD1 3.88Å; L497-L501 HydrophobicContact CD1-CD2 4.44Å; L497-L501 HydrophobicContact CD1-CG 3.88Å; L497-L501 HydrophobicContact CG-CD1 3.9Å; L497-L501 HydrophobicContact CG-CG 4.3Å; L497-L501 WeakPolarHBondContact O-CB 3.17Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.33Å; L497-L501 PolarHBondContact O-N 2.88Å; L497-I620 HydrophobicContact CB-CD1 4.28Å; L497-L623 HydrophobicContact CD1-CD2 4.37Å; L497-F645 HydrophobicContact CD1-CE2 3.76Å; L497-F645 HydrophobicContact CD1-CZ 4.36Å; L497-F645 HydrophobicContact CD2-CD2 4.18Å; L497-F645 HydrophobicContact CD2-CE2 4.02Å
498R86.6Confident84Confident84 Ų8458 Ų5832%0.31734%0.335SS..Hα-helixtrans-60.7-45.3176.5-175.6-179.4-66.1-88-2.7111.4E475 I482 Q494 G495 L501 S502E475-R498 IonicContact OE1-NH1 3.59Å; E475-R498 PolarHBondContact OE1-NH1 2.99Å; I482-R498 HydrophobicContact CD1-CB 3.79Å; I482-R498 HydrophobicContact CD1-CG 3.96Å; Q494-R498 VanDerWaalsContact O-CB 3.29Å; Q494-R498 WeakPolarHBondContact O-CB 3.37Å; Q494-R498 PolarHBondContact O-N 3.46Å; G495-R498 PolarHBondContact O-N 3.36Å; R498-L501 PolarHBondContact O-N 3.37Å; R498-S502 VanDerWaalsContact O-CB 3.22Å; R498-S502 WeakPolarHBondContact O-CB 3.44Å; R498-S502 PolarHBondContact O-N 3.42Å
499G85.6Confident84.7Confident45 Ų4552.8 Ų52.846%0.46430%0.302SS..Hα-helixtrans-59.8-45.5176.200000112.2G495 K496 L497 S502 K503G495-G499 PolarHBondContact O-N 2.61Å; K496-G499 PolarHBondContact O-N 3.29Å; L497-G499 PolarHBondContact O-N 3.47Å; G499-S502 PolarHBondContact O-N 2.73Å; G499-K503 PolarHBondContact O-N 3.13Å
500M89Confident84.8Confident17 Ų1755.2 Ų55.28%0.08432%0.324CS..Hα-helixtrans-64.2-49.1177.2-177.8-78.1-75.600112K496 L497 S502 K503 F504 I620 L623 A624 L627K496-M500 WeakPolarHBondContact O-CB 3.41Å; K496-M500 PolarHBondContact O-N 3.34Å; L497-M500 HydrophobicContact CD1-CE 3.67Å; L497-M500 PolarHBondContact O-N 3.44Å; M500-S502 VanDerWaalsContact C-N 3.3Å; M500-S502 PolarHBondContact O-N 2.77Å; M500-K503 WeakPolarHBondContact O-CB 3.28Å; M500-K503 PolarHBondContact O-N 3.06Å; M500-F504 HydrophobicContact CG-CD2 4.08Å; M500-F504 HydrophobicContact CG-CE2 4.22Å; M500-F504 VanDerWaalsContact O-CD2 3.28Å; M500-F504 WeakPolarHBondContact O-CD2 3.32Å; M500-F504 PolarHBondContact O-N 3.25Å; M500-F504 VanDerWaalsContact O-N 3.07Å; M500-F504 HydrophobicContact SD-CD2 3.79Å; M500-F504 HydrophobicContact SD-CE2 4.39Å; M500-I620 HydrophobicContact CB-CG2 4.25Å; M500-I620 HydrophobicContact CE-CG2 4.35Å; M500-I620 HydrophobicContact CG-CG2 4.34Å; M500-L623 HydrophobicContact CE-CB 4.03Å; M500-L623 HydrophobicContact CE-CD2 3.42Å; M500-L623 VanDerWaalsContact CE-CD2 3.42Å; M500-L623 HydrophobicContact CE-CG 3.59Å; M500-A624 HydrophobicContact CG-CB 3.79Å; M500-A624 HydrophobicContact SD-CB 4.39Å; M500-L627 HydrophobicContact CE-CD1 4.38Å; M500-L627 HydrophobicContact SD-CD1 3.7Å
501L88.3Confident84.3Confident0 Ų054.3 Ų54.30%032%0.32CS..Hα-helixtrans-64.7-35.3179.2-67.9175000112L478 L481 I482 L497 R498 F504 C505 F508 L627L478-L501 VanDerWaalsContact CD2-C 3.45Å; L478-L501 HydrophobicContact CD2-CB 3.42Å; L478-L501 VanDerWaalsContact CD2-CB 3.42Å; L478-L501 WeakPolarHBondContact CD2-O 3.44Å; L481-L501 HydrophobicContact CB-CD1 4.08Å; I482-L501 HydrophobicContact CG1-CD1 4.11Å; L497-L501 HydrophobicContact CD1-CD1 3.88Å; L497-L501 HydrophobicContact CD1-CD2 4.44Å; L497-L501 HydrophobicContact CD1-CG 3.88Å; L497-L501 HydrophobicContact CG-CD1 3.9Å; L497-L501 HydrophobicContact CG-CG 4.3Å; L497-L501 WeakPolarHBondContact O-CB 3.17Å; L497-L501 VanDerWaalsContact O-CG 3.31Å; L497-L501 WeakPolarHBondContact O-CG 3.33Å; L497-L501 PolarHBondContact O-N 2.88Å; R498-L501 PolarHBondContact O-N 3.37Å; L501-F504 CarbonylContact O-C 3.53Å; L501-F504 PolarHBondContact O-N 3.39Å; L501-C505 WeakPolarHBondContact O-CA 3.46Å; L501-C505 PolarHBondContact O-N 2.84Å; L501-F508 HydrophobicContact CD2-CE2 3.93Å; L501-F508 HydrophobicContact CD2-CZ 3.76Å; L501-L627 HydrophobicContact CD2-CD1 4.34Å
502S86.8Confident83.8Confident62 Ų6251.7 Ų51.743%0.43430%0.3SS..Hα-helixtrans-63.1-44.3173.7-175.70000111.4R498 G499 M500 F504 C505R498-S502 VanDerWaalsContact O-CB 3.22Å; R498-S502 WeakPolarHBondContact O-CB 3.44Å; R498-S502 PolarHBondContact O-N 3.42Å; G499-S502 PolarHBondContact O-N 2.73Å; M500-S502 VanDerWaalsContact C-N 3.3Å; M500-S502 PolarHBondContact O-N 2.77Å; S502-F504 VanDerWaalsContact C-N 3.28Å; S502-F504 PolarHBondContact O-N 3.4Å; S502-C505 WeakPolarHBondContact O-CB 3.43Å; S502-C505 PolarHBondContact O-N 3.32Å; S502-C505 PolarHBondContact O-SG 3.07Å
503K88.6Confident83.2Confident155 Ų15549.3 Ų49.367%0.67428%0.282SS*.Hα-helixtrans-57.4-40.3174.3-177.5-178.7177.7-178.60112.2G499 M500G499-K503 PolarHBondContact O-N 3.13Å; M500-K503 WeakPolarHBondContact O-CB 3.28Å; M500-K503 PolarHBondContact O-N 3.06Å
504F88.4Confident83.1Confident11 Ų1149.7 Ų49.75%0.04829%0.285CS..THydrogen-bonded Turntrans-101.222.9-178.5-64.5-72.5000113.8M500 L501 S502 N506 A507 F508 A624 L627 Q631M500-F504 HydrophobicContact CG-CD2 4.08Å; M500-F504 HydrophobicContact CG-CE2 4.22Å; M500-F504 VanDerWaalsContact O-CD2 3.28Å; M500-F504 WeakPolarHBondContact O-CD2 3.32Å; M500-F504 PolarHBondContact O-N 3.25Å; M500-F504 VanDerWaalsContact O-N 3.07Å; M500-F504 HydrophobicContact SD-CD2 3.79Å; M500-F504 HydrophobicContact SD-CE2 4.39Å; L501-F504 CarbonylContact O-C 3.53Å; L501-F504 PolarHBondContact O-N 3.39Å; S502-F504 VanDerWaalsContact C-N 3.28Å; S502-F504 PolarHBondContact O-N 3.4Å; F504-N506 PolarHBondContact O-N 3.31Å; F504-N506 VanDerWaalsContact O-N 3.11Å; F504-A507 HydrophobicContact CB-CB 4.38Å; F504-A507 VanDerWaalsContact O-CB 3.28Å; F504-A507 WeakPolarHBondContact O-CB 3.37Å; F504-A507 PolarHBondContact O-N 3.03Å; F504-F508 WeakPolarHBondContact O-CD2 3.47Å; F504-A624 HydrophobicContact CE2-CB 3.99Å; F504-L627 HydrophobicContact CB-CB 4.03Å; F504-L627 HydrophobicContact CB-CD1 4.01Å; F504-L627 HydrophobicContact CD1-CB 4.05Å; F504-L627 HydrophobicContact CD2-CB 4.17Å; F504-L627 HydrophobicContact CD2-CD1 4.39Å; F504-L627 HydrophobicContact CG-CB 3.82Å; F504-L627 HydrophobicContact CG-CD1 4.37Å; F504-Q631 VanDerWaalsContact CD1-OE1 3.27Å
505C85.4Confident83Confident35 Ų3551.8 Ų51.824%0.23629%0.293CS..G310 helixtrans-57.7-32-176.261.20000113.3L501 S502 A507 F508L501-C505 WeakPolarHBondContact O-CA 3.46Å; L501-C505 PolarHBondContact O-N 2.84Å; S502-C505 WeakPolarHBondContact O-CB 3.43Å; S502-C505 PolarHBondContact O-N 3.32Å; S502-C505 PolarHBondContact O-SG 3.07Å; C505-A507 VanDerWaalsContact C-N 3.27Å; C505-A507 PolarHBondContact O-N 2.78Å; C505-F508 PolarHBondContact O-N 3.49Å
506N84.3Confident82.9Confident110 Ų11051 Ų5159%0.58829%0.285SS*.G310 helixtrans-72.9-14.8177.7-67.7-29.3000114.1F504 F508 K636F504-N506 PolarHBondContact O-N 3.31Å; F504-N506 VanDerWaalsContact O-N 3.11Å; N506-F508 PolarHBondContact O-N 2.82Å; N506-K636 WeakPolarHBondContact O-CE 3.27Å
507A87Confident82.8Confident1 Ų156.6 Ų56.61%0.00830%0.303CS..G310 helixtrans-77-9.2173.400000112.2F504 C505 L627 Q631 K636 V637F504-A507 HydrophobicContact CB-CB 4.38Å; F504-A507 VanDerWaalsContact O-CB 3.28Å; F504-A507 WeakPolarHBondContact O-CB 3.37Å; F504-A507 PolarHBondContact O-N 3.03Å; C505-A507 VanDerWaalsContact C-N 3.27Å; C505-A507 PolarHBondContact O-N 2.78Å; A507-L627 HydrophobicContact CB-CD2 4.23Å; A507-Q631 HydrophobicContact CB-CB 4.43Å; A507-K636 CarbonylContact O-C 3.56Å; A507-K636 VanDerWaalsContact O-CA 3.27Å; A507-K636 WeakPolarHBondContact O-CA 3.46Å; A507-V637 PolarHBondContact O-N 3.23Å
508F87.9Confident82.8Confident7 Ų759.2 Ų59.23%0.03132%0.319CS..BIsolated β-bridgetrans-102.4137176.6-62.8-84.5000111.4M477 L481 L501 F504 C505 N506 A510 L627 V637M477-F508 HydrophobicContact CE-CB 3.93Å; M477-F508 HydrophobicContact SD-CB 3.29Å; M477-F508 WeakPolarHBondContact SD-CB 3.06Å; M477-F508 HydrophobicContact SD-CD2 4.42Å; M477-F508 HydrophobicContact SD-CG 3.91Å; L481-F508 HydrophobicContact CD1-CD1 4.04Å; L481-F508 HydrophobicContact CD1-CD2 4.48Å; L481-F508 HydrophobicContact CD1-CE1 3.73Å; L481-F508 HydrophobicContact CD1-CE2 4.2Å; L481-F508 HydrophobicContact CD1-CG 4.41Å; L481-F508 HydrophobicContact CD1-CZ 3.82Å; L501-F508 HydrophobicContact CD2-CE2 3.93Å; L501-F508 HydrophobicContact CD2-CZ 3.76Å; F504-F508 WeakPolarHBondContact O-CD2 3.47Å; C505-F508 PolarHBondContact O-N 3.49Å; N506-F508 PolarHBondContact O-N 2.82Å; F508-A510 PolarHBondContact O-N 3.01Å; F508-L627 HydrophobicContact CE2-CD1 4.24Å; F508-L627 HydrophobicContact CE2-CD2 4.32Å; F508-L627 HydrophobicContact CZ-CD1 4.08Å; F508-L627 HydrophobicContact CZ-CD2 3.97Å; F508-V637 CarbonylContact C-O 3.55Å; F508-V637 VanDerWaalsContact CA-O 3.27Å; F508-V637 WeakPolarHBondContact CA-O 3.45Å; F508-V637 HydrophobicContact CD1-CB 4.29Å
509A84.2Confident82.6Confident13 Ų1360.7 Ų60.711%0.10734%0.342CS..  trans-69.3124.8176.700000110.8S511 D514 K636 V637A509-S511 VanDerWaalsContact C-N 3.28Å; A509-S511 PolarHBondContact O-N 3.13Å; A509-D514 HydrophobicContact CB-CB 4.32Å; A509-D514 WeakPolarHBondContact CB-O 3.25Å; A509-K636 HydrophobicContact CB-CB 4.28Å; A509-V637 PolarHBondContact N-O 2.61Å
510A75.4Confident82.5Confident64 Ų6463.8 Ų63.853%0.52935%0.347SS..SBendtrans-72.2-23.5177.300000112.7F508 D514F508-A510 PolarHBondContact O-N 3.01Å; A510-D514 HydrophobicContact CB-CB 4.48Å; A510-D514 PolarHBondContact N-OD2 3.46Å
511S71.8Confident82.2Confident58 Ų5868.9 Ų68.941%0.40637%0.374SS..SBendtrans-152171.8178.371.40000111.3A509 V513 D514A509-S511 VanDerWaalsContact C-N 3.28Å; A509-S511 PolarHBondContact O-N 3.13Å; S511-V513 PolarHBondContact O-N 3.15Å; S511-V513 WeakPolarHBondContact OG-CA 3.35Å; S511-V513 PolarHBondContact OG-N 3.38Å; S511-V513 VanDerWaalsContact OG-N 3.15Å; S511-D514 PolarHBondContact O-N 2.91Å; S511-D514 VanDerWaalsContact O-N 3.15Å; S511-D514 PolarHBondContact OG-N 3.48Å
512E68.3Low82Confident75 Ų7577.1 Ų77.135%0.3541%0.41SS..THydrogen-bonded Turntrans-63.3-18.8169.5-62.4-159.4144.100112.6F515 K577E512-F515 WeakPolarHBondContact O-CE2 3.44Å; E512-F515 WeakPolarHBondContact O-CZ 3.25Å; E512-K577 IonicContact OE1-NZ 3.8Å; E512-K577 PolarHBondContact OE1-NZ 2.87Å; E512-K577 IonicContact OE2-NZ 3.01Å; E512-K577 PolarHBondContact OE2-NZ 3.39Å
513V70Confident81.9Confident27 Ų2782 Ų8216%0.16443%0.425CS..THydrogen-bonded Turntrans-60.9-35.2168.5-310000118.2S511 F515 N558S511-V513 PolarHBondContact O-N 3.15Å; S511-V513 WeakPolarHBondContact OG-CA 3.35Å; S511-V513 PolarHBondContact OG-N 3.38Å; S511-V513 VanDerWaalsContact OG-N 3.15Å; V513-F515 HydrophobicContact CB-CE2 4.16Å; V513-F515 HydrophobicContact CG1-CE2 4.07Å; V513-F515 WeakPolarHBondContact O-CD2 2.93Å; V513-F515 WeakPolarHBondContact O-CE2 3.45Å; V513-F515 PolarHBondContact O-N 3.4Å; V513-F515 VanDerWaalsContact O-N 3.13Å; V513-N558 HydrophobicContact CB-CB 4.49Å; V513-N558 WeakPolarHBondContact CG2-ND2 3.44Å
514D79.5Confident81.7Confident40 Ų4080.6 Ų80.621%0.21443%0.425CS..  trans-95.374.6-155.1-178.326.8000109.6A509 A510 S511 K636A509-D514 HydrophobicContact CB-CB 4.32Å; A509-D514 WeakPolarHBondContact CB-O 3.25Å; A510-D514 HydrophobicContact CB-CB 4.48Å; A510-D514 PolarHBondContact N-OD2 3.46Å; S511-D514 PolarHBondContact O-N 2.91Å; S511-D514 VanDerWaalsContact O-N 3.15Å; S511-D514 PolarHBondContact OG-N 3.48Å; D514-K636 IonicContact OD1-NZ 3.16Å; D514-K636 PolarHBondContact OD1-NZ 3.4Å; D514-K636 IonicContact OD2-NZ 2.87Å; D514-K636 PolarHBondContact OD2-NZ 3.44Å
515F79.5Confident81.5Confident128 Ų12886.5 Ų86.556%0.56146%0.456SS*.  trans-81.7138.7178.5-56.2-80.5000110.4E512 V513 I560E512-F515 WeakPolarHBondContact O-CE2 3.44Å; E512-F515 WeakPolarHBondContact O-CZ 3.25Å; V513-F515 HydrophobicContact CB-CE2 4.16Å; V513-F515 HydrophobicContact CG1-CE2 4.07Å; V513-F515 WeakPolarHBondContact O-CD2 2.93Å; V513-F515 WeakPolarHBondContact O-CE2 3.45Å; V513-F515 PolarHBondContact O-N 3.4Å; V513-F515 VanDerWaalsContact O-N 3.13Å; F515-I560 HydrophobicContact CD2-CD1 3.33Å; F515-I560 HydrophobicContact CD2-CG1 3.82Å; F515-I560 HydrophobicContact CE2-CD1 3.2Å; F515-I560 HydrophobicContact CE2-CG1 4.16Å; F515-I560 HydrophobicContact CZ-CD1 4.38Å
516G82Confident81.3Confident28 Ų2892.2 Ų92.229%0.28948%0.483SS..  trans-67.6151.8161.600000110.8G634G516-G634 CarbonylContact C-O 3.55Å; G516-G634 WeakPolarHBondContact CA-O 3.24Å
517R83.7Confident80.8Confident229 Ų22990.4 Ų90.486%0.86448%0.476SS*.  trans-120.4114.2172.9-175.5178.8-178.5175.52.3108.9G634R517-G634 CarbonylContact C-O 3.1Å; R517-G634 PolarHBondContact N-O 3.42Å
518T86.5Confident80.1Confident55 Ų5598.7 Ų98.734%0.33752%0.52SS..  trans-89.8141.2175.3-167.80000111.5I520 A633 L635T518-I520 PolarHBondContact OG1-N 3.37Å; T518-A633 VanDerWaalsContact CA-O 3.27Å; T518-A633 WeakPolarHBondContact CA-O 3.49Å; T518-A633 WeakPolarHBondContact CB-O 3.26Å; T518-A633 PolarHBondContact OG1-O 2.63Å; T518-L635 HydrophobicContact CG2-CD2 4.39Å
519S82.6Confident79.2Confident114 Ų114101.6 Ų101.680%0.79754%0.541SS*.  trans-106.9-1.5168.156.20000112.7
520I84.1Confident78.5Confident111 Ų111108.7 Ų108.757%0.56958%0.577SS**SBendtrans-66.1-40.9-176.5-64.3-175.3000111.1T518 A633T518-I520 PolarHBondContact OG1-N 3.37Å; I520-A633 HydrophobicContact CD1-CB 3.59Å
521L81.2Confident78.6Confident124 Ų124115.5 Ų115.565%0.64959%0.589SS**  trans-139.3133-179.1-174.471.1000109.9
522K85.2Confident79Confident172 Ų172115.4 Ų115.475%0.74859%0.587SS**  trans-100.2142.9168-66.5-179.2-178.2175.80109.1
523H85.6Confident79.6Confident164 Ų164115.4 Ų115.476%0.75959%0.592SS**  trans-91.2114176179.667.5000109.7
524D83.3Confident80.2Confident126 Ų126122.5 Ų122.567%0.67462%0.616SS**  trans-97.3134.2174.8-61.8-43.4000110.7
525I83.4Confident80.3Confident136 Ų136125.9 Ų125.970%0.69763%0.63SS**  trans-103.3100.4175.1-58.2174.8000107.9T527I525-T527 HydrophobicContact CG2-CG2 4.38Å
526I81.1Confident80.4Confident154 Ų154125.1 Ų125.179%0.7964%0.638SS**  trans-82.4116.3177.6-55.3173.1000108.5
527T75.2Confident80.4Confident72 Ų72129.2 Ų129.244%0.44265%0.653SS.*  trans-100.1128.917855.70000111I525 S529 W568I525-T527 HydrophobicContact CG2-CG2 4.38Å; T527-S529 PolarHBondContact O-N 3.03Å; T527-S529 VanDerWaalsContact O-N 3.15Å; T527-S529 PolarHBondContact OG1-O 3.31Å; T527-W568 HydrophobicContact CG2-CH2 4.12Å; T527-W568 HydrophobicContact CG2-CZ2 4.46Å
528D70.8Confident80.2Confident175 Ų175126 Ų12694%0.93664%0.641SS**SBendtrans-66.7-11.7177.9-61-28.9000113.9
529S68.8Low80.1Confident68 Ų68135.5 Ų135.548%0.47667%0.67SS.*  trans-135.1142.3-176.2-174.60000112.5T527 R531T527-S529 PolarHBondContact O-N 3.03Å; T527-S529 VanDerWaalsContact O-N 3.15Å; T527-S529 PolarHBondContact OG1-O 3.31Å; S529-R531 PolarHBondContact O-N 3.21Å; S529-R531 PolarHBondContact OG-N 2.89Å
530N70Confident80Confident162 Ų162131.3 Ų131.387%0.86664%0.639SS**SBendtrans-78.5-2176.6-45.17.9000112.5P532N530-P532 WeakPolarHBondContact O-CD 3.29Å
531R78.7Confident79.7Confident207 Ų207128.4 Ų128.478%0.78163%0.628SS**SBendtrans-92.9119.7-175.5-166.8177.1-177.3-1740.9111.3S529 W568S529-R531 PolarHBondContact O-N 3.21Å; S529-R531 PolarHBondContact OG-N 2.89Å; R531-W568 WeakPolarHBondContact O-CH2 3.28Å
532P79.5Confident79.6Confident56 Ų56128 Ų12836%0.36463%0.633SS.*PPolyproline II helixtrans-64.7137.2180-21.733.2000114.2N530 P567 W568N530-P532 WeakPolarHBondContact O-CD 3.29Å; P532-P567 HydrophobicContact CB-CB 3.92Å; P532-P567 HydrophobicContact CB-CG 4.36Å; P532-P567 HydrophobicContact CG-CB 3.76Å; P532-P567 HydrophobicContact CG-CG 4Å; P532-W568 HydrophobicContact CB-CD2 3.84Å; P532-W568 HydrophobicContact CB-CE3 4.37Å; P532-W568 HydrophobicContact CB-CG 4.04Å; P532-W568 HydrophobicContact CB-CZ2 4.28Å; P532-W568 HydrophobicContact CG-CZ2 4.45Å
533V79.9Confident79.1Confident76 Ų76125 Ų12546%0.46163%0.625SS.*PPolyproline II helixtrans-92.4119.2167.6179.90000109H535 W568 A569V533-H535 WeakPolarHBondContact CG1-NE2 3.3Å; V533-W568 HydrophobicContact CB-CE3 4.02Å; V533-W568 HydrophobicContact CB-CZ3 4.01Å; V533-W568 HydrophobicContact CG2-CE3 4.42Å; V533-W568 HydrophobicContact CG2-CZ3 3.89Å; V533-W568 WeakPolarHBondContact O-CA 3.48Å; V533-A569 PolarHBondContact O-N 3.39Å
534R83.6Confident78.7Confident175 Ų175119.9 Ų119.966%0.6660%0.601SS**BIsolated β-bridgetrans-125.5105.9-178.7-167-176.7-178.5102.2-3.7110.7S566 A569R534-S566 PolarHBondContact NH1-O 3.37Å; R534-A569 HydrophobicContact CG-CB 3.8Å
535H82.4Confident78.7Confident112 Ų112120.8 Ų120.852%0.51960%0.595SS.*PPolyproline II helixtrans-93.6137.3174.5-65.3-66.6000111.3V533 A569V533-H535 WeakPolarHBondContact CG1-NE2 3.3Å; H535-A569 PolarHBondContact N-O 3.09Å
536P81.2Confident78.7Confident112 Ų112118.6 Ų118.673%0.72759%0.585SS**PPolyproline II helixtrans-66.4154.717129-34.1000111.3
537L81Confident78.8Confident113 Ų113113.6 Ų113.659%0.59256%0.558SS**PPolyproline II helixtrans-64.1136.8174.6-17170.3000110.2I572L537-I572 HydrophobicContact CD1-CB 4.33Å; L537-I572 HydrophobicContact CD1-CD1 4.38Å; L537-I572 HydrophobicContact CD1-CG1 4.35Å
538R80.6Confident79.2Confident162 Ų162110.6 Ų110.661%0.61154%0.54SS*.PPolyproline II helixtrans-66.9149.5174.1-65.6-179.2-176.1-91.5-0.6110.3L540R538-L540 PolarHBondContact O-N 2.93Å
539R83.8Confident80Confident255 Ų255105.3 Ų105.396%0.96252%0.517SS*.PPolyproline II helixtrans-65.5123.9171.8-64.6-175.7-179.2-166.40.2108.6
540L79.8Confident80.9Confident26 Ų26106.8 Ų106.814%0.13652%0.516CS..  trans-112.5143.5174.9-61.3179.7000108.7R538 E544 R545 V548 P574R538-L540 PolarHBondContact O-N 2.93Å; L540-E544 HydrophobicContact CB-CB 4.27Å; L540-R545 HydrophobicContact CB-CB 4.31Å; L540-V548 HydrophobicContact CD1-CB 4.4Å; L540-V548 HydrophobicContact CD1-CG1 4.47Å; L540-V548 HydrophobicContact CD1-CG2 4.21Å; L540-P574 HydrophobicContact CD2-CG 3.83Å
541S78Confident81.5Confident49 Ų49100.4 Ų100.434%0.34348%0.482SS..  trans-62157169.664.50000110.8L543 E544 R545S541-L543 PolarHBondContact O-N 2.97Å; S541-E544 WeakPolarHBondContact CB-OE2 3.47Å; S541-E544 PolarHBondContact N-OE2 3.36Å; S541-E544 PolarHBondContact O-N 2.86Å; S541-E544 WeakPolarHBondContact OG-CB 3.3Å; S541-E544 VanDerWaalsContact OG-CD 3.26Å; S541-E544 WeakPolarHBondContact OG-CG 3.47Å; S541-E544 PolarHBondContact OG-N 3.24Å; S541-E544 PolarHBondContact OG-OE2 3.42Å; S541-R545 WeakPolarHBondContact O-CB 3.46Å; S541-R545 PolarHBondContact O-N 3.25Å
542P79.7Confident81.9Confident116 Ų11693.3 Ų93.375%0.75346%0.459SS*.Hα-helixtrans-54.5-37.1177.3-27.635.6000113.5N546P542-N546 PolarHBondContact O-N 3.01Å; P542-N546 VanDerWaalsContact O-N 3.08Å
543L75.4Confident82.4Confident109 Ų10994.2 Ų94.257%0.57146%0.458SS*.Hα-helixtrans-65.3-53176.3-177.465.4000111.5S541 R545 N546 E547S541-L543 PolarHBondContact O-N 2.97Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 3.27Å; L543-N546 PolarHBondContact O-N 3.14Å; L543-E547 WeakPolarHBondContact O-CG 3.26Å; L543-E547 PolarHBondContact O-N 3.43Å
544E76.6Confident82.6Confident56 Ų5693.5 Ų93.526%0.26245%0.447SS..Hα-helixtrans-61.7-37.1178.5-70.6166.313400111.7L540 S541 E547 V548 I582L540-E544 HydrophobicContact CB-CB 4.27Å; S541-E544 WeakPolarHBondContact CB-OE2 3.47Å; S541-E544 PolarHBondContact N-OE2 3.36Å; S541-E544 PolarHBondContact O-N 2.86Å; S541-E544 WeakPolarHBondContact OG-CB 3.3Å; S541-E544 VanDerWaalsContact OG-CD 3.26Å; S541-E544 WeakPolarHBondContact OG-CG 3.47Å; S541-E544 PolarHBondContact OG-N 3.24Å; S541-E544 PolarHBondContact OG-OE2 3.42Å; E544-E547 PolarHBondContact O-N 3.43Å; E544-V548 VanDerWaalsContact O-CB 3.28Å; E544-V548 WeakPolarHBondContact O-CB 3.45Å; E544-V548 WeakPolarHBondContact O-CG2 3.1Å; E544-V548 PolarHBondContact O-N 3.44Å; E544-I582 HydrophobicContact CB-CD1 4.47Å; E544-I582 HydrophobicContact CG-CD1 4.18Å
545R82Confident82.7Confident145 Ų14587.7 Ų87.755%0.54743%0.428SS..Hα-helixtrans-61.9-45.2176.2-175.4-179.3-72.8168.7-3.1110.8L540 S541 L543 V548 S549L540-R545 HydrophobicContact CB-CB 4.31Å; S541-R545 WeakPolarHBondContact O-CB 3.46Å; S541-R545 PolarHBondContact O-N 3.25Å; L543-R545 VanDerWaalsContact C-N 3.27Å; L543-R545 PolarHBondContact O-N 3.27Å; R545-V548 PolarHBondContact O-N 3.32Å; R545-S549 WeakPolarHBondContact O-CB 3.2Å; R545-S549 PolarHBondContact O-N 2.84Å; R545-S549 PolarHBondContact O-OG 3.21Å; R545-S549 VanDerWaalsContact O-OG 3.09Å
546N84.4Confident83Confident90 Ų9084.9 Ų84.948%0.48142%0.417SS..Hα-helixtrans-62.7-46.3176.9-17226.4000111.6P542 L543 V548 S549 Q550P542-N546 PolarHBondContact O-N 3.01Å; P542-N546 VanDerWaalsContact O-N 3.08Å; L543-N546 PolarHBondContact O-N 3.14Å; N546-V548 PolarHBondContact O-N 2.92Å; N546-S549 PolarHBondContact O-N 2.96Å; N546-Q550 PolarHBondContact ND2-NE2 2.88Å; N546-Q550 WeakPolarHBondContact O-CG 3.21Å; N546-Q550 PolarHBondContact O-N 3.17Å; N546-Q550 PolarHBondContact OD1-NE2 3.21Å
547E82.8Confident83.2Confident49 Ų4984.5 Ų84.523%0.22941%0.408CS..Hα-helixtrans-60.4-44.7176.8-69.617812900111.7L543 E544 Q550 L551 R576 I582L543-E547 WeakPolarHBondContact O-CG 3.26Å; L543-E547 PolarHBondContact O-N 3.43Å; E544-E547 PolarHBondContact O-N 3.43Å; E547-Q550 PolarHBondContact O-N 3.48Å; E547-L551 PolarHBondContact O-N 3.43Å; E547-R576 IonicContact OE1-NH1 3.77Å; E547-R576 PolarHBondContact OE1-NH1 3.24Å; E547-R576 IonicContact OE1-NH2 3.6Å; E547-R576 IonicContact OE2-CZ 2.97Å; E547-R576 IonicContact OE2-NH1 2.93Å; E547-R576 PolarHBondContact OE2-NH1 3.36Å; E547-R576 IonicContact OE2-NH2 3.83Å; E547-R576 PolarHBondContact OE2-NH2 3.21Å; E547-I582 HydrophobicContact CB-CD1 3.98Å; E547-I582 HydrophobicContact CG-CD1 4.48Å; E547-I582 WeakPolarHBondContact OE2-CD1 3.24Å
548V84.3Confident83.1Confident9 Ų982.7 Ų82.76%0.05540%0.399CS..Hα-helixtrans-66.3-40.2177.1169.20000111.5L540 E544 R545 N546 L551 I552 I572 P574 I582L540-V548 HydrophobicContact CD1-CB 4.4Å; L540-V548 HydrophobicContact CD1-CG1 4.47Å; L540-V548 HydrophobicContact CD1-CG2 4.21Å; E544-V548 VanDerWaalsContact O-CB 3.28Å; E544-V548 WeakPolarHBondContact O-CB 3.45Å; E544-V548 WeakPolarHBondContact O-CG2 3.1Å; E544-V548 PolarHBondContact O-N 3.44Å; R545-V548 PolarHBondContact O-N 3.32Å; N546-V548 PolarHBondContact O-N 2.92Å; V548-L551 WeakPolarHBondContact O-CB 3.41Å; V548-L551 PolarHBondContact O-N 2.66Å; V548-I552 HydrophobicContact CG1-CD1 3.77Å; V548-I552 HydrophobicContact CG1-CG1 4.33Å; V548-I552 VanDerWaalsContact O-CG1 3.31Å; V548-I552 WeakPolarHBondContact O-CG1 3.42Å; V548-I552 PolarHBondContact O-N 2.8Å; V548-I572 HydrophobicContact CG1-CG2 4.45Å; V548-P574 HydrophobicContact CG2-CB 4.2Å; V548-I582 HydrophobicContact CG2-CG2 4.47Å
549S87.4Confident83.3Confident65 Ų6583.9 Ų83.946%0.45541%0.409SS..Hα-helixtrans-63.1-42.7175.9-73.30000112.1R545 N546 L551 I552 Q553R545-S549 WeakPolarHBondContact O-CB 3.2Å; R545-S549 PolarHBondContact O-N 2.84Å; R545-S549 PolarHBondContact O-OG 3.21Å; R545-S549 VanDerWaalsContact O-OG 3.09Å; N546-S549 PolarHBondContact O-N 2.96Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.24Å; S549-I552 PolarHBondContact O-N 2.8Å; S549-Q553 WeakPolarHBondContact O-CB 3.43Å; S549-Q553 PolarHBondContact O-N 3.45Å
550Q87.1Confident83.3Confident99 Ų9974.8 Ų74.846%0.46338%0.379SS..Hα-helixtrans-64.1-37.7175.1-69.8173.122.600112.1N546 E547 R554N546-Q550 PolarHBondContact ND2-NE2 2.88Å; N546-Q550 WeakPolarHBondContact O-CG 3.21Å; N546-Q550 PolarHBondContact O-N 3.17Å; N546-Q550 PolarHBondContact OD1-NE2 3.21Å; E547-Q550 PolarHBondContact O-N 3.48Å; Q550-R554 WeakPolarHBondContact O-CG 3.28Å; Q550-R554 PolarHBondContact O-N 3.41Å
551L83.4Confident83.7Confident28 Ų2876.7 Ų76.715%0.14739%0.389CS..Hα-helixtrans-62.7-51172.7173.164.6000112E547 V548 S549 Q553 R554 M555 X583 X584E547-L551 PolarHBondContact O-N 3.43Å; V548-L551 WeakPolarHBondContact O-CB 3.41Å; V548-L551 PolarHBondContact O-N 2.66Å; S549-L551 VanDerWaalsContact C-N 3.32Å; S549-L551 PolarHBondContact O-N 3.24Å; L551-Q553 VanDerWaalsContact C-N 3.25Å; L551-Q553 PolarHBondContact O-N 2.88Å; L551-R554 PolarHBondContact O-N 3.24Å; L551-R554 VanDerWaalsContact O-N 3.15Å; L551-M555 HydrophobicContact CD1-CG 4.2Å; L551-M555 HydrophobicContact CD1-SD 4.22Å; L551-M555 HydrophobicContact CG-SD 4.15Å; L551-M555 WeakPolarHBondContact O-CG 3.46Å; L551-M555 PolarHBondContact O-N 2.85Å; L551-G583 WeakPolarHBondContact CD1-O 3.44Å; L551-G583 WeakPolarHBondContact CD2-O 3.35Å; L551-G584 VanDerWaalsContact CD1-CA 3.45Å
552I87.6Confident84.3Confident58 Ų5882 Ų8230%0.29741%0.408SS..Hα-helixtrans-57.1-44178.5-72.3169.6000109.8V548 S549 R554 M555 L556 I561 I572V548-I552 HydrophobicContact CG1-CD1 3.77Å; V548-I552 HydrophobicContact CG1-CG1 4.33Å; V548-I552 VanDerWaalsContact O-CG1 3.31Å; V548-I552 WeakPolarHBondContact O-CG1 3.42Å; V548-I552 PolarHBondContact O-N 2.8Å; S549-I552 PolarHBondContact O-N 2.8Å; I552-R554 PolarHBondContact O-N 3.39Å; I552-M555 PolarHBondContact O-N 3.01Å; I552-M555 VanDerWaalsContact O-N 3.16Å; I552-L556 HydrophobicContact CG2-CD1 3.84Å; I552-L556 HydrophobicContact CG2-CG 4.35Å; I552-L556 WeakPolarHBondContact O-CG 3.36Å; I552-L556 PolarHBondContact O-N 2.82Å; I552-I561 HydrophobicContact CG2-CD1 4.06Å; I552-I572 HydrophobicContact CD1-CD1 4.16Å
553Q89.4Confident84.9Confident74 Ų7482 Ų8235%0.34641%0.408SS..Hα-helixtrans-60.2-47.2176.9-168.959.949.600111.5S549 L551 M555 L556 D557S549-Q553 WeakPolarHBondContact O-CB 3.43Å; S549-Q553 PolarHBondContact O-N 3.45Å; L551-Q553 VanDerWaalsContact C-N 3.25Å; L551-Q553 PolarHBondContact O-N 2.88Å; Q553-M555 VanDerWaalsContact C-N 3.29Å; Q553-M555 PolarHBondContact O-N 2.94Å; Q553-L556 WeakPolarHBondContact O-CB 3.39Å; Q553-L556 PolarHBondContact O-N 3.16Å; Q553-D557 PolarHBondContact NE2-OD1 3.43Å; Q553-D557 WeakPolarHBondContact O-CB 2.93Å; Q553-D557 PolarHBondContact O-N 3.39Å
554R83.8Confident85.5Confident61 Ų6181 Ų8123%0.2341%0.41CS..Hα-helixtrans-59.3-39.5174.7-73.6-177.6-66.4-169.33.1112.3Q550 L551 I552 D557 N558 X584 X585Q550-R554 WeakPolarHBondContact O-CG 3.28Å; Q550-R554 PolarHBondContact O-N 3.41Å; L551-R554 PolarHBondContact O-N 3.24Å; L551-R554 VanDerWaalsContact O-N 3.15Å; I552-R554 PolarHBondContact O-N 3.39Å; R554-D557 PolarHBondContact O-N 2.86Å; R554-N558 WeakPolarHBondContact O-CB 3.47Å; R554-N558 PolarHBondContact O-N 3.41Å; R554-N558 VanDerWaalsContact O-N 3.07Å; R554-N558 PolarHBondContact O-ND2 2.9Å; R554-G584 PolarHBondContact NH2-O 3.44Å; R554-G585 PolarHBondContact NH1-O 3.3Å; R554-G585 VanDerWaalsContact NH2-N 3.14Å; R554-G585 PolarHBondContact NH2-O 3.05Å
555M86Confident86.1Confident54 Ų5486.5 Ų86.527%0.26644%0.441SS..Hα-helixtrans-69.2-36.8178.3-67.2-179.979.100112.6L551 I552 Q553 K559 I560 I561L551-M555 HydrophobicContact CD1-CG 4.2Å; L551-M555 HydrophobicContact CD1-SD 4.22Å; L551-M555 HydrophobicContact CG-SD 4.15Å; L551-M555 WeakPolarHBondContact O-CG 3.46Å; L551-M555 PolarHBondContact O-N 2.85Å; I552-M555 PolarHBondContact O-N 3.01Å; I552-M555 VanDerWaalsContact O-N 3.16Å; Q553-M555 VanDerWaalsContact C-N 3.29Å; Q553-M555 PolarHBondContact O-N 2.94Å; M555-K559 PolarHBondContact O-N 2.87Å; M555-I560 HydrophobicContact CB-CB 4.26Å; M555-I560 HydrophobicContact CB-CD1 4.43Å; M555-I560 HydrophobicContact CE-CB 4.35Å; M555-I560 HydrophobicContact CE-CG2 3.63Å; M555-I560 HydrophobicContact CG-CD1 4.31Å; M555-I560 PolarHBondContact O-N 2.95Å; M555-I561 HydrophobicContact CB-CD1 3.65Å; M555-I561 HydrophobicContact CB-CG1 3.71Å; M555-I561 HydrophobicContact CE-CG2 3.81Å; M555-I561 HydrophobicContact SD-CD1 4.46Å
556L88.2Confident86.3Confident53 Ų5381.6 Ų81.628%0.27743%0.429SS..Hα-helixtrans-64.6-47.8172.2-73.3166.2000111I552 Q553 N558 K559 I561 P563I552-L556 HydrophobicContact CG2-CD1 3.84Å; I552-L556 HydrophobicContact CG2-CG 4.35Å; I552-L556 WeakPolarHBondContact O-CG 3.36Å; I552-L556 PolarHBondContact O-N 2.82Å; Q553-L556 WeakPolarHBondContact O-CB 3.39Å; Q553-L556 PolarHBondContact O-N 3.16Å; L556-N558 PolarHBondContact O-N 3.21Å; L556-K559 PolarHBondContact O-N 3.13Å; L556-I561 HydrophobicContact CD2-CD1 4.45Å; L556-I561 HydrophobicContact CD2-CG1 3.91Å; L556-I561 HydrophobicContact CG-CD1 4.17Å; L556-I561 HydrophobicContact CG-CG1 3.96Å; L556-P563 HydrophobicContact CD2-CG 4.14Å
557D86.4Confident86.4Confident104 Ų10480.9 Ų80.956%0.55643%0.429SS*.Hα-helixtrans-60-34.7179.7-64.2-17.7000111.7Q553 R554Q553-D557 PolarHBondContact NE2-OD1 3.43Å; Q553-D557 WeakPolarHBondContact O-CB 2.93Å; Q553-D557 PolarHBondContact O-N 3.39Å; R554-D557 PolarHBondContact O-N 2.86Å
558N78.3Confident86.6Confident75 Ų7583.3 Ų83.340%0.40144%0.436SS..THydrogen-bonded Turntrans-91.38.9177.1-68.7-78.6000113.9V513 R554 L556 I560V513-N558 HydrophobicContact CB-CB 4.49Å; V513-N558 WeakPolarHBondContact CG2-ND2 3.44Å; R554-N558 WeakPolarHBondContact O-CB 3.47Å; R554-N558 PolarHBondContact O-N 3.41Å; R554-N558 VanDerWaalsContact O-N 3.07Å; R554-N558 PolarHBondContact O-ND2 2.9Å; L556-N558 PolarHBondContact O-N 3.21Å; N558-I560 HydrophobicContact CB-CD1 3.88Å; N558-I560 HydrophobicContact CB-CG1 4.04Å; N558-I560 PolarHBondContact O-N 2.89Å
559K84.2Confident86.6Confident186 Ų18684.7 Ų84.781%0.80945%0.449SS*.THydrogen-bonded Turntrans55.131.3178.4-54-177.9179.7-179.10114.2M555 L556M555-K559 PolarHBondContact O-N 2.87Å; L556-K559 PolarHBondContact O-N 3.13Å
560I84.5Confident86.5Confident65 Ų6585.7 Ų85.733%0.33346%0.461SS..SBendtrans-81.3-35.6176-58163.5000109.9F515 M555 N558F515-I560 HydrophobicContact CD2-CD1 3.33Å; F515-I560 HydrophobicContact CD2-CG1 3.82Å; F515-I560 HydrophobicContact CE2-CD1 3.2Å; F515-I560 HydrophobicContact CE2-CG1 4.16Å; F515-I560 HydrophobicContact CZ-CD1 4.38Å; M555-I560 HydrophobicContact CB-CB 4.26Å; M555-I560 HydrophobicContact CB-CD1 4.43Å; M555-I560 HydrophobicContact CE-CB 4.35Å; M555-I560 HydrophobicContact CE-CG2 3.63Å; M555-I560 HydrophobicContact CG-CD1 4.31Å; M555-I560 PolarHBondContact O-N 2.95Å; N558-I560 HydrophobicContact CB-CD1 3.88Å; N558-I560 HydrophobicContact CB-CG1 4.04Å; N558-I560 PolarHBondContact O-N 2.89Å
561I88.9Confident86.1Confident66 Ų6682.3 Ų82.334%0.33845%0.452SS..  trans-127.9162.2175.463.2-179.2000109.7I552 M555 L556I552-I561 HydrophobicContact CG2-CD1 4.06Å; M555-I561 HydrophobicContact CB-CD1 3.65Å; M555-I561 HydrophobicContact CB-CG1 3.71Å; M555-I561 HydrophobicContact CE-CG2 3.81Å; M555-I561 HydrophobicContact SD-CD1 4.46Å; L556-I561 HydrophobicContact CD2-CD1 4.45Å; L556-I561 HydrophobicContact CD2-CG1 3.91Å; L556-I561 HydrophobicContact CG-CD1 4.17Å; L556-I561 HydrophobicContact CG-CG1 3.96Å
562E90.7Very high86Confident160 Ų16084.5 Ų84.575%0.74846%0.463SS*.  trans-130.4154.1173.162.9-175.5-169.400110.1S564E562-S564 PolarHBondContact O-N 3.43Å
563P91.5Very high85.7Confident117 Ų11786.2 Ų86.276%0.7648%0.476SS*.  trans-59.1134170.3-21.233.9000110.5L556L556-P563 HydrophobicContact CD2-CG 4.14Å
564S89Confident84.9Confident87 Ų8784.1 Ų84.161%0.60847%0.469SS*.  trans-129.8133.8-177.1-174.10000111.5E562 S566E562-S564 PolarHBondContact O-N 3.43Å; S564-S566 VanDerWaalsContact C-N 3.31Å; S564-S566 VanDerWaalsContact OG-CB 3.3Å; S564-S566 WeakPolarHBondContact OG-CB 3.46Å; S564-S566 PolarHBondContact OG-N 3.43Å
565N88.5Confident84.4Confident172 Ų17286.1 Ų86.192%0.9249%0.488SS*.  trans-9826.8168.7-69.2-33.8000111.5
566S86.5Confident83.8Confident41 Ų4189.4 Ų89.429%0.28750%0.498SS..  trans-55.5141.3-176-178.60000112R534 S564 W568R534-S566 PolarHBondContact NH1-O 3.37Å; S564-S566 VanDerWaalsContact C-N 3.31Å; S564-S566 VanDerWaalsContact OG-CB 3.3Å; S564-S566 WeakPolarHBondContact OG-CB 3.46Å; S564-S566 PolarHBondContact OG-N 3.43Å; S566-W568 WeakPolarHBondContact CB-O 3.47Å; S566-W568 PolarHBondContact O-N 3.1Å; S566-W568 WeakPolarHBondContact OG-CB 3.35Å; S566-W568 PolarHBondContact OG-N 3.36Å; S566-W568 PolarHBondContact OG-O 3.43Å
567P85.7Confident82.7Confident75 Ų7590.6 Ų90.649%0.48750%0.5SS..SBendtrans-67.1-18168.829.6-34.4000112P532P532-P567 HydrophobicContact CB-CB 3.92Å; P532-P567 HydrophobicContact CB-CG 4.36Å; P532-P567 HydrophobicContact CG-CB 3.76Å; P532-P567 HydrophobicContact CG-CG 4Å
568W87.5Confident81.8Confident101 Ų10196.4 Ų96.438%0.38352%0.521SS..  trans-90.1136.1173.9-55.583.2000111.1T527 R531 P532 V533 S566T527-W568 HydrophobicContact CG2-CH2 4.12Å; T527-W568 HydrophobicContact CG2-CZ2 4.46Å; R531-W568 WeakPolarHBondContact O-CH2 3.28Å; P532-W568 HydrophobicContact CB-CD2 3.84Å; P532-W568 HydrophobicContact CB-CE3 4.37Å; P532-W568 HydrophobicContact CB-CG 4.04Å; P532-W568 HydrophobicContact CB-CZ2 4.28Å; P532-W568 HydrophobicContact CG-CZ2 4.45Å; V533-W568 HydrophobicContact CB-CE3 4.02Å; V533-W568 HydrophobicContact CB-CZ3 4.01Å; V533-W568 HydrophobicContact CG2-CE3 4.42Å; V533-W568 HydrophobicContact CG2-CZ3 3.89Å; V533-W568 WeakPolarHBondContact O-CA 3.48Å; S566-W568 WeakPolarHBondContact CB-O 3.47Å; S566-W568 PolarHBondContact O-N 3.1Å; S566-W568 WeakPolarHBondContact OG-CB 3.35Å; S566-W568 PolarHBondContact OG-N 3.36Å; S566-W568 PolarHBondContact OG-O 3.43Å
569A85.2Confident81.2Confident38 Ų3897.8 Ų97.831%0.31453%0.528SS..BIsolated β-bridgetrans-147.7137.6175.900000112.2V533 R534 H535V533-A569 PolarHBondContact O-N 3.39Å; R534-A569 HydrophobicContact CG-CB 3.8Å; H535-A569 PolarHBondContact N-O 3.09Å
570A83.4Confident80.2Confident85 Ų8590.8 Ų90.870%0.70251%0.508SS*.  trans-117142.3174.900000110.6
571G79.5Confident79.1Confident28 Ų2888.5 Ų88.529%0.28950%0.499SS..  trans-76.8136.7178.300000112.7
572I81.5Confident77.7Confident74 Ų7486 Ų8638%0.37949%0.485SS..  trans-77.8140.1178.4-59.7172.2000110.8L537 V548 I552L537-I572 HydrophobicContact CD1-CB 4.33Å; L537-I572 HydrophobicContact CD1-CD1 4.38Å; L537-I572 HydrophobicContact CD1-CG1 4.35Å; V548-I572 HydrophobicContact CG1-CG2 4.45Å; I552-I572 HydrophobicContact CD1-CD1 4.16Å
573V80.3Confident75.8Confident94 Ų9479.7 Ų79.757%0.5746%0.464SS*.  trans-123.6108.1173.4-1780000109.1
574P73.5Confident73.3Confident30 Ų3075 Ų7520%0.19544%0.437CS..  trans-69136.117626-31.4000111.4L540 V548 I582L540-P574 HydrophobicContact CD2-CG 3.83Å; V548-P574 HydrophobicContact CG2-CB 4.2Å; P574-I582 HydrophobicContact CB-CD1 3.88Å; P574-I582 HydrophobicContact CB-CG1 4.46Å; P574-I582 HydrophobicContact CB-CG2 3.74Å
575V72.4Confident70.6Confident104 Ų10471.6 Ų71.663%0.6342%0.416SS*.  trans-126.8127.9175.3-177.60000108.6X583V575-G583 PolarHBondContact O-N 3.37Å
576R74.5Confident67.8Low123 Ų12366.2 Ų66.246%0.46440%0.4SS..BIsolated β-bridgetrans-81130.9176-67.4-169.7-179.8-76.4-8.9110.8E547 G580 S581 I582E547-R576 IonicContact OE1-NH1 3.77Å; E547-R576 PolarHBondContact OE1-NH1 3.24Å; E547-R576 IonicContact OE1-NH2 3.6Å; E547-R576 IonicContact OE2-CZ 2.97Å; E547-R576 IonicContact OE2-NH1 2.93Å; E547-R576 PolarHBondContact OE2-NH1 3.36Å; E547-R576 IonicContact OE2-NH2 3.83Å; E547-R576 PolarHBondContact OE2-NH2 3.21Å; R576-G580 PolarHBondContact NH1-O 3.09Å; R576-G580 VanDerWaalsContact NH1-O 3.12Å; R576-S581 WeakPolarHBondContact CA-O 3.49Å; R576-I582 HydrophobicContact CG-CG1 3.93Å
577K65.1Low65.2Low77 Ų7769.7 Ų69.734%0.33543%0.425SS..  trans-76.2168.9170.2-72.8-178.7177.2-179.80110.4E512 D579 G580 S581E512-K577 IonicContact OE1-NZ 3.8Å; E512-K577 PolarHBondContact OE1-NZ 2.87Å; E512-K577 IonicContact OE2-NZ 3.01Å; E512-K577 PolarHBondContact OE2-NZ 3.39Å; K577-D579 WeakPolarHBondContact CB-OD1 3.03Å; K577-D579 PolarHBondContact O-N 3.32Å; K577-G580 PolarHBondContact O-N 3.32Å; K577-S581 PolarHBondContact N-O 3.07Å
578K66.5Low62.5Low226 Ų22670.5 Ų70.598%0.98345%0.447SS*.THydrogen-bonded Turntrans-59.5-25.5176.6-70.9-172.9178.7-1780113.7G580K578-G580 PolarHBondContact O-N 3.15Å
579D67.4Low59.8Low105 Ų10569.1 Ų69.156%0.56146%0.464SS*.THydrogen-bonded Turntrans-83.95.6175.86211.7000113.1K577 S581K577-D579 WeakPolarHBondContact CB-OD1 3.03Å; K577-D579 PolarHBondContact O-N 3.32Å; D579-S581 VanDerWaalsContact C-N 3.27Å; D579-S581 PolarHBondContact O-N 3.12Å; D579-S581 WeakPolarHBondContact OD1-CB 3.49Å; D579-S581 PolarHBondContact OD1-N 3.2Å; D579-S581 PolarHBondContact OD1-OG 3.2Å; D579-S581 PolarHBondContact OD2-OG 3.01Å
580G61.7Low57Low38 Ų3871.6 Ų71.639%0.39249%0.493SS..SBendtrans85.2-15.5179.800000115R576 K577 K578R576-G580 PolarHBondContact NH1-O 3.09Å; R576-G580 VanDerWaalsContact NH1-O 3.12Å; K577-G580 PolarHBondContact O-N 3.32Å; K578-G580 PolarHBondContact O-N 3.15Å
581S62.4Low54.4Low18 Ų1871.2 Ų71.213%0.12650%0.497CS..  trans-71.2138-178.368.60000112R576 K577 D579R576-S581 WeakPolarHBondContact CA-O 3.49Å; K577-S581 PolarHBondContact N-O 3.07Å; D579-S581 VanDerWaalsContact C-N 3.27Å; D579-S581 PolarHBondContact O-N 3.12Å; D579-S581 WeakPolarHBondContact OD1-CB 3.49Å; D579-S581 PolarHBondContact OD1-N 3.2Å; D579-S581 PolarHBondContact OD1-OG 3.2Å; D579-S581 PolarHBondContact OD2-OG 3.01Å
582I58.5Low52Low12 Ų1276.2 Ų76.26%0.06253%0.528CS..BIsolated β-bridgetrans-72.8129.5164.8-66-179.9000107.2E544 E547 V548 P574 R576 X584E544-I582 HydrophobicContact CB-CD1 4.47Å; E544-I582 HydrophobicContact CG-CD1 4.18Å; E547-I582 HydrophobicContact CB-CD1 3.98Å; E547-I582 HydrophobicContact CG-CD1 4.48Å; E547-I582 WeakPolarHBondContact OE2-CD1 3.24Å; V548-I582 HydrophobicContact CG2-CG2 4.47Å; P574-I582 HydrophobicContact CB-CD1 3.88Å; P574-I582 HydrophobicContact CB-CG1 4.46Å; P574-I582 HydrophobicContact CB-CG2 3.74Å; R576-I582 HydrophobicContact CG-CG1 3.93Å; I582-G584 PolarHBondContact O-N 3.46Å
583X50.4Low49.6Very low29 Ų2976.8 Ų76.830%0.29955%0.552SS.*THydrogen-bonded Turntrans-38123.2-163.300000115.7L551 V575L551-G583 WeakPolarHBondContact CD1-O 3.44Å; L551-G583 WeakPolarHBondContact CD2-O 3.35Å; V575-G583 PolarHBondContact O-N 3.37Å
584X40.9Very low47.2Very low18 Ų1876.2 Ų76.219%0.18657%0.565CS.*THydrogen-bonded Turntrans109.915.6166.600000116.8L551 R554 I582L551-G584 VanDerWaalsContact CD1-CA 3.45Å; R554-G584 PolarHBondContact NH2-O 3.44Å; I582-G584 PolarHBondContact O-N 3.46Å
585X31.7Very low45.1Very low16 Ų1678.7 Ų78.717%0.16560%0.596CS.*  trans170.8138.8134.700000117.1R554R554-G585 PolarHBondContact NH1-O 3.3Å; R554-G585 VanDerWaalsContact NH2-N 3.14Å; R554-G585 PolarHBondContact NH2-O 3.05Å
586X28.6Very low43Very low58 Ų5877.4 Ų77.460%0.59860%0.604SS**PPolyproline II helixtrans-80.7125.6167.100000111.2
587X33.2Very low41.1Very low115 Ų11577.2 Ų77.280%0.80462%0.621SS**PPolyproline II helixtrans-82.2133.9146.6-65.60000107.1X589S587-G589 PolarHBondContact O-N 3.4Å
588X28.6Very low39.4Very low92 Ų9277.4 Ų77.495%0.94865%0.645SS**PPolyproline II helixtrans-58.9126.9-176.300000112.6
589X30Very low37.8Very low71 Ų7170.4 Ų70.473%0.73264%0.637SS**  trans-154.5117.2166.400000107.1X587S587-G589 PolarHBondContact O-N 3.4Å
590X26.7Very low36Very low91 Ų9169.8 Ų69.894%0.93866%0.655SS**  trans-62144.9-177.500000112.6
591X28.8Very low34.6Very low76 Ų7671.6 Ų71.678%0.78467%0.674SS**  trans-167.286.5175.500000109.4
592X30.3Very low33.2Very low134 Ų13477.3 Ų77.394%0.93771%0.714SS**  trans-55.2150.6167.2-58.90000111.7
593X29.5Very low32Very low86 Ų8680.5 Ų80.589%0.88775%0.749SS**  trans143.9103.7156.300000114.6
594X30.6Very low31.1Very low81 Ų8183.1 Ų83.184%0.83578%0.777SS**  trans149.642.116900000114.7
595X28.5Very low30.5Very low82 Ų8286.4 Ų86.485%0.84581%0.81SS**  trans-66.8130.7164.200000110
596X30Very low30.4Very low77 Ų7789.4 Ų89.479%0.79484%0.842SS**  trans-122.597.5161.400000107.2
597X33.6Very low30.5Very low120 Ų12093 Ų9384%0.83986%0.857SS**  trans-43.6141.7172-54.10000111.5
598X29.6Very low30.4Very low81 Ų8191 Ų9184%0.83586%0.856SS**  7670.550.700000108.8
599X32.7Very low30.4Very low79 Ų7990.9 Ų90.981%0.81485%0.854SS**  trans-132.187.9175.100000109
600X29.8Very low30.2Very low91 Ų9191.6 Ų91.694%0.93886%0.861SS**  trans-67.4138.6170.900000110.8
601X31.8Very low30.4Very low76 Ų7690.8 Ų90.878%0.78485%0.853SS**  trans-141.890.3168.100000108.4
602X33.1Very low30.5Very low139 Ų13992.8 Ų92.897%0.97286%0.855SS**  trans-57.5131.1165.7-790000110.2
603X33.6Very low30.7Very low78 Ų7890.6 Ų90.680%0.80485%0.853SS**  trans-160.787.616900000107.8
604X30.7Very low31.1Very low85 Ų8588.3 Ų88.388%0.87683%0.83SS**  trans-74.3164.3-17800000113.3
605X29.1Very low32.2Very low86 Ų8687 Ų8789%0.88782%0.817SS**  trans150.4108.516400000113.2
606X30.7Very low33.9Very low80 Ų8084 Ų8483%0.82579%0.785SS**  trans111.284.1145.600000117
607X30.2Very low35.9Very low132 Ų13281.8 Ų81.892%0.92376%0.758SS**  trans-51.6150.6165.8-50.10000114.8
608X29.8Very low38.1Very low75 Ų7581.1 Ų81.177%0.77374%0.742SS**  trans175.578.7162.200000115.5
609X29.5Very low40.7Very low89 Ų8981.3 Ų81.392%0.91872%0.721SS**  trans66134.8153.100000117.7
610X26.1Very low43.2Very low85 Ų8578.2 Ų78.288%0.87669%0.685SS**  cis157.3121.41400000105.2
611X30.4Very low45.9Very low75 Ų7579.4 Ų79.477%0.77367%0.666SS**  trans162.848.6-173.700000116.1
612X32Very low48.6Very low118 Ų11880.1 Ų80.183%0.82565%0.649SS**  trans29.3106.9140.2-51.10000120.4X614S612-G614 VanDerWaalsContact C-N 3.33Å; S612-G614 PolarHBondContact O-N 2.89Å
613X32.8Very low51.3Low87 Ų8774.6 Ų74.690%0.89761%0.608SS**SBend67.7-1013000000122
614X39Very low54Low39 Ų3972 Ų7240%0.40258%0.579SS.*  trans-93.5-36.2-168.300000117.6X612 X616 X617 E618S612-G614 VanDerWaalsContact C-N 3.33Å; S612-G614 PolarHBondContact O-N 2.89Å; G614-G616 PolarHBondContact O-N 3.45Å; G614-G616 VanDerWaalsContact O-N 3.15Å; G614-S617 PolarHBondContact O-N 2.97Å; G614-E618 PolarHBondContact O-N 3.39Å
615X54.3Low56.9Low53 Ų5372.9 Ų72.955%0.54656%0.561SS.*Hα-helixtrans-65.8-28.6-157.300000117H619G615-H619 WeakPolarHBondContact O-CB 3.28Å; G615-H619 PolarHBondContact O-N 2.97Å
616X62.6Low59.9Low18 Ų1872.5 Ų72.519%0.18654%0.541CS..Hα-helixtrans-72.6-35.7179.300000113.3X614 I620G614-G616 PolarHBondContact O-N 3.45Å; G614-G616 VanDerWaalsContact O-N 3.15Å; G616-I620 WeakPolarHBondContact O-CD1 3.38Å; G616-I620 VanDerWaalsContact O-CG1 3.29Å; G616-I620 WeakPolarHBondContact O-CG1 3.25Å; G616-I620 PolarHBondContact O-N 3.04Å
617X71.8Confident62.8Low32 Ų3268.9 Ų68.922%0.22450%0.503CS..Hα-helixtrans-75.6-44.8-179.9-61.70000111.1X614 H619 I620 E621G614-S617 PolarHBondContact O-N 2.97Å; S617-H619 VanDerWaalsContact C-N 3.32Å; S617-H619 PolarHBondContact O-N 3.25Å; S617-I620 WeakPolarHBondContact O-CB 3.37Å; S617-I620 PolarHBondContact O-N 2.97Å; S617-I620 VanDerWaalsContact O-N 3.1Å; S617-E621 PolarHBondContact O-N 3.43Å; S617-E621 VanDerWaalsContact O-N 3.09Å
618E80.9Confident65.7Low106 Ų10664.4 Ų64.450%0.49547%0.471SS..Hα-helixtrans-60.1-41.2177.8-171.1-174.517500111.7X614 I620 E621 H622G614-E618 PolarHBondContact O-N 3.39Å; E618-I620 PolarHBondContact O-N 3.47Å; E618-E621 WeakPolarHBondContact O-CB 3.28Å; E618-E621 PolarHBondContact O-N 3.43Å; E618-E621 VanDerWaalsContact O-N 3.15Å; E618-H622 PolarHBondContact O-N 2.82Å; E618-H622 IonicContact OE1-CE1 2.73Å; E618-H622 PolarHBondContact OE1-CE1 3.46Å; E618-H622 VanDerWaalsContact OE1-CE1 3.32Å; E618-H622 IonicContact OE1-NE2 2.88Å
619H83.1Confident68.7Low85 Ų8569 Ų6939%0.39447%0.466SS..Hα-helixtrans-64.8-37.1175.7-167.8164.3000112X615 X617 E621 H622 L623 F645G615-H619 WeakPolarHBondContact O-CB 3.28Å; G615-H619 PolarHBondContact O-N 2.97Å; S617-H619 VanDerWaalsContact C-N 3.32Å; S617-H619 PolarHBondContact O-N 3.25Å; H619-E621 VanDerWaalsContact C-N 3.29Å; H619-E621 PolarHBondContact O-N 3.34Å; H619-H622 PolarHBondContact O-N 2.91Å; H619-L623 VanDerWaalsContact O-CB 3.3Å; H619-L623 WeakPolarHBondContact O-CB 3.49Å; H619-L623 PolarHBondContact O-N 3.21Å; H619-F645 HydrophobicContact CB-CD1 4.5Å; H619-F645 HydrophobicContact CB-CE1 3.72Å; H619-F645 HydrophobicContact CB-CZ 4.23Å; H619-F645 AromaticContact CG-CE1 3.66Å; H619-F645 AromaticContact CG-CZ 4Å; H619-F645 AromaticContact ND1-CD1 3.85Å; H619-F645 AromaticContact ND1-CE1 3.84Å
620I85.7Confident71.6Confident13 Ų1367 Ų677%0.06743%0.433CS..Hα-helixtrans-61.5-40.3173.5-66.2166.1000110.5Q493 K496 L497 M500 X616 X617 E618 L623 A624 F645Q493-I620 HydrophobicContact CB-CD1 4.41Å; K496-I620 HydrophobicContact CB-CD1 4.02Å; L497-I620 HydrophobicContact CB-CD1 4.28Å; M500-I620 HydrophobicContact CB-CG2 4.25Å; M500-I620 HydrophobicContact CE-CG2 4.35Å; M500-I620 HydrophobicContact CG-CG2 4.34Å; G616-I620 WeakPolarHBondContact O-CD1 3.38Å; G616-I620 VanDerWaalsContact O-CG1 3.29Å; G616-I620 WeakPolarHBondContact O-CG1 3.25Å; G616-I620 PolarHBondContact O-N 3.04Å; S617-I620 WeakPolarHBondContact O-CB 3.37Å; S617-I620 PolarHBondContact O-N 2.97Å; S617-I620 VanDerWaalsContact O-N 3.1Å; E618-I620 PolarHBondContact O-N 3.47Å; I620-L623 PolarHBondContact O-N 3.29Å; I620-A624 WeakPolarHBondContact O-CB 3.19Å; I620-A624 PolarHBondContact O-N 2.86Å; I620-F645 HydrophobicContact CB-CZ 4.48Å; I620-F645 HydrophobicContact CG1-CE1 4.01Å; I620-F645 HydrophobicContact CG1-CE2 4.49Å; I620-F645 HydrophobicContact CG1-CZ 3.51Å
621E87.2Confident74.6Confident117 Ų11766.9 Ų66.955%0.54741%0.41SS..Hα-helixtrans-66.7-46.7177.4-69170-160.200112X617 E618 H619 L623 A624 Q625S617-E621 PolarHBondContact O-N 3.43Å; S617-E621 VanDerWaalsContact O-N 3.09Å; E618-E621 WeakPolarHBondContact O-CB 3.28Å; E618-E621 PolarHBondContact O-N 3.43Å; E618-E621 VanDerWaalsContact O-N 3.15Å; H619-E621 VanDerWaalsContact C-N 3.29Å; H619-E621 PolarHBondContact O-N 3.34Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.47Å; E621-A624 WeakPolarHBondContact O-CB 3.48Å; E621-A624 PolarHBondContact O-N 3.2Å; E621-Q625 WeakPolarHBondContact O-CG 3.49Å; E621-Q625 PolarHBondContact O-N 3.06Å
622H87.8Confident77.4Confident90 Ų9070.1 Ų70.142%0.41741%0.405SS..Hα-helixtrans-58.8-43.2173.8-69.7161.4000112E618 H619 A624 Q625 V626E618-H622 PolarHBondContact O-N 2.82Å; E618-H622 IonicContact OE1-CE1 2.73Å; E618-H622 PolarHBondContact OE1-CE1 3.46Å; E618-H622 VanDerWaalsContact OE1-CE1 3.32Å; E618-H622 IonicContact OE1-NE2 2.88Å; H619-H622 PolarHBondContact O-N 2.91Å; H622-A624 VanDerWaalsContact C-N 3.34Å; H622-A624 PolarHBondContact O-N 3.06Å; H622-Q625 PolarHBondContact O-N 3.38Å; H622-V626 WeakPolarHBondContact O-CG2 3.3Å; H622-V626 PolarHBondContact O-N 3.36Å
623L89.9Confident80.1Confident23 Ų2365.2 Ų65.212%0.1237%0.371CS..Hα-helixtrans-64.2-39.4176.9-178.558.1000111.7L497 M500 H619 I620 E621 V626 L627 L644 F645L497-L623 HydrophobicContact CD1-CD2 4.37Å; M500-L623 HydrophobicContact CE-CB 4.03Å; M500-L623 HydrophobicContact CE-CD2 3.42Å; M500-L623 VanDerWaalsContact CE-CD2 3.42Å; M500-L623 HydrophobicContact CE-CG 3.59Å; H619-L623 VanDerWaalsContact O-CB 3.3Å; H619-L623 WeakPolarHBondContact O-CB 3.49Å; H619-L623 PolarHBondContact O-N 3.21Å; I620-L623 PolarHBondContact O-N 3.29Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.47Å; L623-V626 PolarHBondContact O-N 3.45Å; L623-L627 HydrophobicContact CD1-CD1 4.17Å; L623-L627 HydrophobicContact CD1-CG 4.19Å; L623-L627 HydrophobicContact CG-CD1 4.07Å; L623-L627 WeakPolarHBondContact O-CB 3.37Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 2.95Å; L623-L644 HydrophobicContact CD1-CD2 4.31Å; L623-L644 HydrophobicContact CD2-CD1 3.95Å; L623-L644 HydrophobicContact CD2-CD2 4.18Å; L623-F645 HydrophobicContact CD2-CE2 4.15Å
624A91Very high82.8Confident24 Ų2462.3 Ų62.320%0.19834%0.342CS..Hα-helixtrans-62.2-42.6174.700000112.1M500 F504 I620 E621 H622 L627 S628M500-A624 HydrophobicContact CG-CB 3.79Å; M500-A624 HydrophobicContact SD-CB 4.39Å; F504-A624 HydrophobicContact CE2-CB 3.99Å; I620-A624 WeakPolarHBondContact O-CB 3.19Å; I620-A624 PolarHBondContact O-N 2.86Å; E621-A624 WeakPolarHBondContact O-CB 3.48Å; E621-A624 PolarHBondContact O-N 3.2Å; H622-A624 VanDerWaalsContact C-N 3.34Å; H622-A624 PolarHBondContact O-N 3.06Å; A624-L627 PolarHBondContact O-N 3.41Å; A624-S628 WeakPolarHBondContact O-CB 3.18Å; A624-S628 PolarHBondContact O-N 3.03Å
625Q90.4Very high85.2Confident103 Ų10364 Ų6448%0.48134%0.341SS..Hα-helixtrans-62.7-42.9176.1-68.2176.232.400111.7E621 H622 S628 R629E621-Q625 WeakPolarHBondContact O-CG 3.49Å; E621-Q625 PolarHBondContact O-N 3.06Å; H622-Q625 PolarHBondContact O-N 3.38Å; Q625-S628 PolarHBondContact O-N 2.87Å; Q625-R629 WeakPolarHBondContact O-CG 3.44Å; Q625-R629 PolarHBondContact O-N 3.5Å; Q625-R629 VanDerWaalsContact O-N 3.13Å
626V92.5Very high86.9Confident78 Ų7865.2 Ų65.247%0.47333%0.331SS..Hα-helixtrans-62.8-47.3176.5172.20000111.1H622 L623 S628 R629 L630H622-V626 WeakPolarHBondContact O-CG2 3.3Å; H622-V626 PolarHBondContact O-N 3.36Å; L623-V626 PolarHBondContact O-N 3.45Å; V626-S628 PolarHBondContact O-N 3.27Å; V626-R629 PolarHBondContact O-N 2.87Å; V626-L630 HydrophobicContact CG1-CD1 3.98Å; V626-L630 WeakPolarHBondContact O-CG 3.31Å; V626-L630 PolarHBondContact O-N 3.27Å
627L91.8Very high88.1Confident5 Ų566.3 Ų66.33%0.02633%0.334CS..Hα-helixtrans-66.3-35.6179.5-69.8172.9000112.5M500 L501 F504 A507 F508 L623 A624 L630 Q631M500-L627 HydrophobicContact CE-CD1 4.38Å; M500-L627 HydrophobicContact SD-CD1 3.7Å; L501-L627 HydrophobicContact CD2-CD1 4.34Å; F504-L627 HydrophobicContact CB-CB 4.03Å; F504-L627 HydrophobicContact CB-CD1 4.01Å; F504-L627 HydrophobicContact CD1-CB 4.05Å; F504-L627 HydrophobicContact CD2-CB 4.17Å; F504-L627 HydrophobicContact CD2-CD1 4.39Å; F504-L627 HydrophobicContact CG-CB 3.82Å; F504-L627 HydrophobicContact CG-CD1 4.37Å; A507-L627 HydrophobicContact CB-CD2 4.23Å; F508-L627 HydrophobicContact CE2-CD1 4.24Å; F508-L627 HydrophobicContact CE2-CD2 4.32Å; F508-L627 HydrophobicContact CZ-CD1 4.08Å; F508-L627 HydrophobicContact CZ-CD2 3.97Å; L623-L627 HydrophobicContact CD1-CD1 4.17Å; L623-L627 HydrophobicContact CD1-CG 4.19Å; L623-L627 HydrophobicContact CG-CD1 4.07Å; L623-L627 WeakPolarHBondContact O-CB 3.37Å; L623-L627 WeakPolarHBondContact O-CG 3.48Å; L623-L627 PolarHBondContact O-N 2.95Å; A624-L627 PolarHBondContact O-N 3.41Å; L627-L630 HydrophobicContact CD2-CD1 4.48Å; L627-L630 PolarHBondContact O-N 2.8Å; L627-Q631 WeakPolarHBondContact O-CB 3.41Å; L627-Q631 PolarHBondContact O-N 3.34Å
628S91.6Very high88.7Confident37 Ų3767 Ų6726%0.25934%0.335SS..Hα-helixtrans-59.4-51.6173.3-160.90000111.2A624 Q625 V626 L630 Q631 E632A624-S628 WeakPolarHBondContact O-CB 3.18Å; A624-S628 PolarHBondContact O-N 3.03Å; Q625-S628 PolarHBondContact O-N 2.87Å; V626-S628 PolarHBondContact O-N 3.27Å; S628-L630 VanDerWaalsContact C-N 3.3Å; S628-L630 PolarHBondContact O-N 3.28Å; S628-Q631 PolarHBondContact O-N 2.98Å; S628-Q631 VanDerWaalsContact O-N 3.15Å; S628-E632 WeakPolarHBondContact O-CB 3.5Å; S628-E632 VanDerWaalsContact O-CG 3.32Å; S628-E632 WeakPolarHBondContact O-CG 3.32Å; S628-E632 PolarHBondContact O-N 3.06Å; S628-E632 PolarHBondContact OG-OE1 3.31Å
629R91.4Very high88.8Confident173 Ų17363 Ų6365%0.65332%0.319SS*.Hα-helixtrans-60.9-38.2178.8-71.1179.9179.7168.62.6112.5Q625 V626 A633Q625-R629 WeakPolarHBondContact O-CG 3.44Å; Q625-R629 PolarHBondContact O-N 3.5Å; Q625-R629 VanDerWaalsContact O-N 3.13Å; V626-R629 PolarHBondContact O-N 2.87Å; R629-A633 VanDerWaalsContact O-CB 3.26Å; R629-A633 WeakPolarHBondContact O-CB 3.34Å; R629-A633 PolarHBondContact O-N 2.97Å
630L91.7Very high88.6Confident46 Ų4668.4 Ų68.424%0.24134%0.336CS..Hα-helixtrans-66.3-43.3176.2-71.3170.8000111.7V626 L627 S628 A633 G634 L635 V637V626-L630 HydrophobicContact CG1-CD1 3.98Å; V626-L630 WeakPolarHBondContact O-CG 3.31Å; V626-L630 PolarHBondContact O-N 3.27Å; L627-L630 HydrophobicContact CD2-CD1 4.48Å; L627-L630 PolarHBondContact O-N 2.8Å; S628-L630 VanDerWaalsContact C-N 3.3Å; S628-L630 PolarHBondContact O-N 3.28Å; L630-A633 PolarHBondContact O-N 3.41Å; L630-G634 PolarHBondContact O-N 3.41Å; L630-L635 HydrophobicContact CD2-CB 4.09Å; L630-L635 HydrophobicContact CD2-CD1 4.02Å; L630-L635 PolarHBondContact O-N 2.81Å; L630-V637 HydrophobicContact CD1-CG2 3.51Å
631Q88.5Confident88.4Confident83 Ų8376.1 Ų76.139%0.38837%0.369SS..Hα-helixtrans-65.5-44.5177.4-173.9176.81.700111.9F504 A507 L627 S628 A633 G634F504-Q631 VanDerWaalsContact CD1-OE1 3.27Å; A507-Q631 HydrophobicContact CB-CB 4.43Å; L627-Q631 WeakPolarHBondContact O-CB 3.41Å; L627-Q631 PolarHBondContact O-N 3.34Å; S628-Q631 PolarHBondContact O-N 2.98Å; S628-Q631 VanDerWaalsContact O-N 3.15Å; Q631-A633 VanDerWaalsContact C-N 3.27Å; Q631-A633 PolarHBondContact O-N 2.97Å; Q631-G634 PolarHBondContact O-N 3.05Å
632E88.7Confident88.2Confident142 Ų14271.8 Ų71.866%0.66435%0.351SS*.Hα-helixtrans-59-38.5174.2-73.3160.3-147.100111.6S628 G634S628-E632 WeakPolarHBondContact O-CB 3.5Å; S628-E632 VanDerWaalsContact O-CG 3.32Å; S628-E632 WeakPolarHBondContact O-CG 3.32Å; S628-E632 PolarHBondContact O-N 3.06Å; S628-E632 PolarHBondContact OG-OE1 3.31Å; E632-G634 PolarHBondContact O-N 3.48Å
633A89.8Confident88Confident15 Ų1574 Ų7412%0.12436%0.359CS..THydrogen-bonded Turntrans-73.9-5.6174.700000114.4T518 I520 R629 L630 Q631 L635T518-A633 VanDerWaalsContact CA-O 3.27Å; T518-A633 WeakPolarHBondContact CA-O 3.49Å; T518-A633 WeakPolarHBondContact CB-O 3.26Å; T518-A633 PolarHBondContact OG1-O 2.63Å; I520-A633 HydrophobicContact CD1-CB 3.59Å; R629-A633 VanDerWaalsContact O-CB 3.26Å; R629-A633 WeakPolarHBondContact O-CB 3.34Å; R629-A633 PolarHBondContact O-N 2.97Å; L630-A633 PolarHBondContact O-N 3.41Å; Q631-A633 VanDerWaalsContact C-N 3.27Å; Q631-A633 PolarHBondContact O-N 2.97Å; A633-L635 VanDerWaalsContact C-N 3.26Å; A633-L635 HydrophobicContact CB-CD1 4Å; A633-L635 HydrophobicContact CB-CG 3.94Å; A633-L635 PolarHBondContact O-N 2.86Å
634G88.4Confident87.7Confident26 Ų2673.9 Ų73.927%0.26836%0.359SS..THydrogen-bonded Turntrans68.123.7-174.400000113.2G516 R517 L630 Q631 E632G516-G634 CarbonylContact C-O 3.55Å; G516-G634 WeakPolarHBondContact CA-O 3.24Å; R517-G634 CarbonylContact C-O 3.1Å; R517-G634 PolarHBondContact N-O 3.42Å; L630-G634 PolarHBondContact O-N 3.41Å; Q631-G634 PolarHBondContact O-N 3.05Å; E632-G634 PolarHBondContact O-N 3.48Å
635L89.9Confident87.3Confident74 Ų7473.5 Ų73.539%0.38735%0.353SS..  trans-96.4146.1178.9-61.2176.8000110.8T518 L630 A633T518-L635 HydrophobicContact CG2-CD2 4.39Å; L630-L635 HydrophobicContact CD2-CB 4.09Å; L630-L635 HydrophobicContact CD2-CD1 4.02Å; L630-L635 PolarHBondContact O-N 2.81Å; A633-L635 VanDerWaalsContact C-N 3.26Å; A633-L635 HydrophobicContact CB-CD1 4Å; A633-L635 HydrophobicContact CB-CG 3.94Å; A633-L635 PolarHBondContact O-N 2.86Å
636K89.4Confident86.9Confident80 Ų8070.7 Ų70.735%0.34834%0.344SS..  trans-120.1142.2177.1-69.8-172.4171.5-172.90112N506 A507 A509 D514N506-K636 WeakPolarHBondContact O-CE 3.27Å; A507-K636 CarbonylContact O-C 3.56Å; A507-K636 VanDerWaalsContact O-CA 3.27Å; A507-K636 WeakPolarHBondContact O-CA 3.46Å; A509-K636 HydrophobicContact CB-CB 4.28Å; D514-K636 IonicContact OD1-NZ 3.16Å; D514-K636 PolarHBondContact OD1-NZ 3.4Å; D514-K636 IonicContact OD2-NZ 2.87Å; D514-K636 PolarHBondContact OD2-NZ 3.44Å
637V87.8Confident86.3Confident40 Ų4073.2 Ų73.224%0.24235%0.349CS..BIsolated β-bridgetrans-101.9136.2179-168.10000110.5A507 F508 A509 L630 S639 C642A507-V637 PolarHBondContact O-N 3.23Å; F508-V637 CarbonylContact C-O 3.55Å; F508-V637 VanDerWaalsContact CA-O 3.27Å; F508-V637 WeakPolarHBondContact CA-O 3.45Å; F508-V637 HydrophobicContact CD1-CB 4.29Å; A509-V637 PolarHBondContact N-O 2.61Å; L630-V637 HydrophobicContact CD1-CG2 3.51Å; V637-S639 PolarHBondContact O-N 3.38Å; V637-C642 WeakPolarHBondContact CG1-SG 3.25Å
638N85.3Confident85.9Confident47 Ų4779.2 Ų79.225%0.25138%0.377SS..  trans-77.3106.4174.1-173.4-33000110.4R640 K641 C642N638-R640 PolarHBondContact O-N 3.33Å; N638-R640 VanDerWaalsContact O-N 3.13Å; N638-R640 WeakPolarHBondContact OD1-CB 3.5Å; N638-R640 PolarHBondContact OD1-N 3.04Å; N638-K641 PolarHBondContact O-N 3.48Å; N638-C642 PolarHBondContact O-SG 3.44Å
639S83.3Confident85.7Confident21 Ų2179.9 Ų79.915%0.14738%0.379CS..G310 helixtrans-55.5-30-178.854.70000114.1M477 V637 K641 C642M477-S639 WeakPolarHBondContact CG-OG 3.39Å; V637-S639 PolarHBondContact O-N 3.38Å; S639-K641 PolarHBondContact O-N 3.22Å; S639-C642 PolarHBondContact O-N 3.03Å
640R79Confident85.3Confident200 Ų20074.3 Ų74.376%0.75537%0.366SS*.G310 helixtrans-70.8-18.8178.3-57.8-176.2-175.7-174.51.2113.6N638N638-R640 PolarHBondContact O-N 3.33Å; N638-R640 VanDerWaalsContact O-N 3.13Å; N638-R640 WeakPolarHBondContact OD1-CB 3.5Å; N638-R640 PolarHBondContact OD1-N 3.04Å
641K81.5Confident84.7Confident175 Ų17579.2 Ų79.276%0.76138%0.382SS*.G310 helixtrans-100.7-3.3178.9-65.1-171.6178.2-178.70112.7N638 S639N638-K641 PolarHBondContact O-N 3.48Å; S639-K641 PolarHBondContact O-N 3.22Å
642C83.3Confident84Confident25 Ų2581.2 Ų81.217%0.16940%0.395CS..  trans-81.6133.1176.8-63.30000110.5L481 V637 N638 S639 L644L481-C642 HydrophobicContact CD2-CB 3.83Å; V637-C642 WeakPolarHBondContact CG1-SG 3.25Å; N638-C642 PolarHBondContact O-SG 3.44Å; S639-C642 PolarHBondContact O-N 3.03Å; C642-L644 HydrophobicContact CB-CG 4.49Å
643K82.9Confident83.1Confident136 Ų13675.6 Ų75.659%0.59138%0.376SS*.  trans-123110.1165.9-69.8-173.7175.5-171.30107V649K643-V649 HydrophobicContact CB-CG2 4.4Å; K643-V649 HydrophobicContact CD-CG2 4.38Å
644L83.9Confident82.5Confident22 Ų2275.9 Ų75.912%0.11537%0.374CS..  trans-108150.9-173.6-56.9177.7000110L481 T485 G486 L623 C642 C646L481-L644 HydrophobicContact CD2-CD1 4.34Å; T485-L644 WeakPolarHBondContact CA-O 3.23Å; T485-L644 HydrophobicContact CG2-CB 4.48Å; G486-L644 PolarHBondContact N-O 2.96Å; L623-L644 HydrophobicContact CD1-CD2 4.31Å; L623-L644 HydrophobicContact CD2-CD1 3.95Å; L623-L644 HydrophobicContact CD2-CD2 4.18Å; C642-L644 HydrophobicContact CB-CG 4.49Å; L644-C646 PolarHBondContact O-N 3.5Å; L644-C646 PolarHBondContact O-SG 2.93Å
645F82.5Confident82.4Confident16 Ų1675.7 Ų75.77%0.0737%0.367CS..SBendtrans48.634.4175.1-61.1-92.1000114.8T485 G486 A487 L489 L497 H619 I620 L623T485-F645 HydrophobicContact CG2-CB 4.2Å; T485-F645 HydrophobicContact CG2-CD2 4.02Å; T485-F645 HydrophobicContact CG2-CG 4.49Å; G486-F645 CarbonylContact C-O 3.56Å; G486-F645 WeakPolarHBondContact CA-O 3.37Å; G486-F645 PolarHBondContact N-O 3.18Å; A487-F645 VanDerWaalsContact CB-O 3.28Å; A487-F645 WeakPolarHBondContact CB-O 3.45Å; A487-F645 PolarHBondContact N-O 3.36Å; L489-F645 HydrophobicContact CD1-CD2 4.49Å; L489-F645 HydrophobicContact CD1-CG 4.38Å; L489-F645 HydrophobicContact CD2-CD1 3.83Å; L489-F645 HydrophobicContact CD2-CE1 4.28Å; L489-F645 HydrophobicContact CD2-CG 4.24Å; L497-F645 HydrophobicContact CD1-CE2 3.76Å; L497-F645 HydrophobicContact CD1-CZ 4.36Å; L497-F645 HydrophobicContact CD2-CD2 4.18Å; L497-F645 HydrophobicContact CD2-CE2 4.02Å; H619-F645 HydrophobicContact CB-CD1 4.5Å; H619-F645 HydrophobicContact CB-CE1 3.72Å; H619-F645 HydrophobicContact CB-CZ 4.23Å; H619-F645 AromaticContact CG-CE1 3.66Å; H619-F645 AromaticContact CG-CZ 4Å; H619-F645 AromaticContact ND1-CD1 3.85Å; H619-F645 AromaticContact ND1-CE1 3.84Å; I620-F645 HydrophobicContact CB-CZ 4.48Å; I620-F645 HydrophobicContact CG1-CE1 4.01Å; I620-F645 HydrophobicContact CG1-CE2 4.49Å; I620-F645 HydrophobicContact CG1-CZ 3.51Å; L623-F645 HydrophobicContact CD2-CE2 4.15Å
646C80.6Confident82.1Confident44 Ų4474.1 Ų74.130%0.29736%0.36SS..  trans-87.2139.5177.6-59.40000110.3L644 E648L644-C646 PolarHBondContact O-N 3.5Å; L644-C646 PolarHBondContact O-SG 2.93Å; C646-E648 WeakPolarHBondContact CB-O 3.44Å; C646-E648 PolarHBondContact O-N 3.32Å
647K81.4Confident82Confident131 Ų13171 Ų7157%0.5735%0.349SS*.SBendtrans-68.1-24.3171.5-67.6-169175.6-167.50112.9S657K647-S657 WeakPolarHBondContact O-CA 3.31Å
648E84Confident81.5Confident130 Ų13076 Ų7661%0.60737%0.369SS*.EExtended strand (participates in β ladder)trans-139.4142.3175.560.5179.1-156.300110.5C646 I655 V656C646-E648 WeakPolarHBondContact CB-O 3.44Å; C646-E648 PolarHBondContact O-N 3.32Å; E648-I655 HydrophobicContact CB-CG2 4.01Å; E648-V656 CarbonylContact C-O 3.55Å; E648-V656 VanDerWaalsContact CA-O 3.25Å; E648-V656 WeakPolarHBondContact CA-O 3.47Å
649V85.6Confident81.3Confident51 Ų5182.8 Ų82.831%0.30939%0.391SS..EExtended strand (participates in β ladder)trans-141.2136.9178.965.40000111K643 Y651 V656K643-V649 HydrophobicContact CB-CG2 4.4Å; K643-V649 HydrophobicContact CD-CG2 4.38Å; V649-Y651 PolarHBondContact O-N 3.46Å; V649-V656 HydrophobicContact CG1-CB 4.22Å; V649-V656 PolarHBondContact N-O 2.93Å; V649-V656 PolarHBondContact O-N 2.8Å
650C84.2Confident81.3Confident56 Ų5681.9 Ų81.938%0.37839%0.385SS..EExtended strand (participates in β ladder)trans-76.9114.6169.5-178.80000109.3H654 I655 D664C650-H654 CarbonylContact C-O 3.55Å; C650-H654 VanDerWaalsContact CA-O 3.28Å; C650-H654 WeakPolarHBondContact CA-O 3.28Å; C650-I655 HydrophobicContact CB-CD1 3.85Å; C650-D664 PolarHBondContact SG-OD2 2.96Å; C650-D664 VanDerWaalsContact SG-OD2 3.39Å
651Y79.4Confident81.5Confident149 Ų14974 Ų7458%0.58436%0.358SS*.EExtended strand (participates in β ladder)trans-133.7124.9-179.5-173.4-106.2000110.5V649 G653 H654V649-Y651 PolarHBondContact O-N 3.46Å; Y651-G653 PolarHBondContact O-N 2.75Å; Y651-G653 VanDerWaalsContact O-N 3.16Å; Y651-H654 PolarHBondContact N-O 3.06Å; Y651-H654 PolarHBondContact O-N 2.87Å
652L73.9Confident81.6Confident125 Ų12567.5 Ų67.565%0.65433%0.33SS*.THydrogen-bonded Turntrans47.342.9-177.1-60.4174.9000113H654 Y692L652-H654 VanDerWaalsContact C-N 3.34Å; L652-H654 PolarHBondContact O-CE1 3.43Å; L652-H654 PolarHBondContact O-N 3.16Å; L652-H654 PolarHBondContact O-ND1 3.16Å; L652-Y692 PolarHBondContact O-OH 3.11Å
653G68.3Low81.3Confident25 Ų2566.4 Ų66.426%0.25832%0.323SS..THydrogen-bonded Turntrans72.519.417900000115.6Y651 Y693Y651-G653 PolarHBondContact O-N 2.75Å; Y651-G653 VanDerWaalsContact O-N 3.16Å; G653-Y693 PolarHBondContact O-OH 3.46Å
654H78.6Confident80.9Confident20 Ų2061.4 Ų61.49%0.09330%0.302CS..EExtended strand (participates in β ladder)trans-128.4151.7175.6-58.186.9000109.8C650 Y651 L652 I661 E662 Y692 K695 F696C650-H654 CarbonylContact C-O 3.55Å; C650-H654 VanDerWaalsContact CA-O 3.28Å; C650-H654 WeakPolarHBondContact CA-O 3.28Å; Y651-H654 PolarHBondContact N-O 3.06Å; Y651-H654 PolarHBondContact O-N 2.87Å; L652-H654 VanDerWaalsContact C-N 3.34Å; L652-H654 PolarHBondContact O-CE1 3.43Å; L652-H654 PolarHBondContact O-N 3.16Å; L652-H654 PolarHBondContact O-ND1 3.16Å; H654-I661 HydrophobicContact CB-CG2 3.79Å; H654-E662 CarbonylContact C-O 3.58Å; H654-E662 WeakPolarHBondContact CA-O 3.47Å; H654-E662 WeakPolarHBondContact CB-O 3.4Å; H654-Y692 AromaticContact CE1-CE1 3.75Å; H654-K695 PolarHBondContact CD2-NZ 3.31Å; H654-K695 WeakPolarHBondContact NE2-CE 3.45Å; H654-K695 PolarHBondContact NE2-NZ 3.48Å; H654-K695 VanDerWaalsContact NE2-NZ 3.13Å; H654-F696 AromaticContact CD2-CE2 3.42Å; H654-F696 VanDerWaalsContact CD2-CE2 3.42Å; H654-F696 WeakPolarHBondContact CD2-CE2 3.36Å; H654-F696 AromaticContact CD2-CZ 3.52Å; H654-F696 AromaticContact NE2-CE2 3.59Å
655I84.8Confident80.5Confident22 Ų2263.4 Ų63.411%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-88.3123.1167.3-55.3-53.5000108E648 C650 I661 E662 P665E648-I655 HydrophobicContact CB-CG2 4.01Å; C650-I655 HydrophobicContact CB-CD1 3.85Å; I655-I661 CarbonylContact O-C 3.54Å; I655-I661 WeakPolarHBondContact O-CA 3.27Å; I655-E662 HydrophobicContact CB-CB 4.42Å; I655-E662 PolarHBondContact N-O 3.45Å; I655-E662 PolarHBondContact O-N 3.14Å; I655-P665 HydrophobicContact CG1-CG 4.24Å
656V85Confident79.8Confident41 Ų4166 Ų6625%0.24834%0.337CS..EExtended strand (participates in β ladder)trans-105.3117.4172.4-177.40000107E648 V649 L742E648-V656 CarbonylContact C-O 3.55Å; E648-V656 VanDerWaalsContact CA-O 3.25Å; E648-V656 WeakPolarHBondContact CA-O 3.47Å; V649-V656 HydrophobicContact CG1-CB 4.22Å; V649-V656 PolarHBondContact N-O 2.93Å; V649-V656 PolarHBondContact O-N 2.8Å; V656-L742 HydrophobicContact CG1-CD2 4.24Å
657S85.9Confident79.1Confident15 Ų1565.9 Ų65.911%0.10533%0.333CS..EExtended strand (participates in β ladder)trans-129.3175.1-179.875.80000111K647 R659 G660K647-S657 WeakPolarHBondContact O-CA 3.31Å; S657-R659 PolarHBondContact O-N 3.27Å; S657-R659 PolarHBondContact OG-N 3.14Å; S657-G660 PolarHBondContact N-O 2.95Å; S657-G660 PolarHBondContact O-N 2.89Å; S657-G660 PolarHBondContact OG-O 3.15Å
658E79.1Confident78.4Confident144 Ų14460.3 Ų60.367%0.67331%0.31SS*.THydrogen-bonded Turntrans-59.3-24171.568.4-173-178.700113.3
659R80.6Confident77.7Confident191 Ų19158.6 Ų58.672%0.72130%0.302SS*.THydrogen-bonded Turntrans-82.6-22.6180-58.6180-177.4-177.2-1.4112.3S657 V739S657-R659 PolarHBondContact O-N 3.27Å; S657-R659 PolarHBondContact OG-N 3.14Å; R659-V739 HydrophobicContact CB-CG1 4.15Å; R659-V739 VanDerWaalsContact O-CG1 3.31Å; R659-V739 WeakPolarHBondContact O-CG1 3.29Å
660G82.9Confident76.8Confident1 Ų162.5 Ų62.51%0.0132%0.315CS..EExtended strand (participates in β ladder)trans145.5-156.4-175.400000114.1S657 L740S657-G660 PolarHBondContact N-O 2.95Å; S657-G660 PolarHBondContact O-N 2.89Å; S657-G660 PolarHBondContact OG-O 3.15Å; G660-L740 CarbonylContact C-O 3.51Å; G660-L740 WeakPolarHBondContact CA-O 3.3Å
661I84.2Confident76.2Confident36 Ų3660 Ų6019%0.18530%0.298CS..EExtended strand (participates in β ladder)trans-109.2132.4175.7-52.3178.3000108.4H654 I655 F696 L740 L742H654-I661 HydrophobicContact CB-CG2 3.79Å; I655-I661 CarbonylContact O-C 3.54Å; I655-I661 WeakPolarHBondContact O-CA 3.27Å; I661-F696 HydrophobicContact CG2-CZ 4.11Å; I661-F696 WeakPolarHBondContact O-CE1 3.46Å; I661-L740 PolarHBondContact N-O 3.24Å; I661-L740 PolarHBondContact O-N 3.1Å; I661-L742 HydrophobicContact CD1-CD2 3.85Å; I661-L742 HydrophobicContact CG1-CD2 3.63Å; I661-L742 HydrophobicContact CG1-CG 4.4Å
662E82.6Confident76Confident38 Ų3860.1 Ų60.118%0.17830%0.297CS..EExtended strand (participates in β ladder)trans-131.2156.6-178.7-63.6175.8-153.900111.2H654 I655 V739H654-E662 CarbonylContact C-O 3.58Å; H654-E662 WeakPolarHBondContact CA-O 3.47Å; H654-E662 WeakPolarHBondContact CB-O 3.4Å; I655-E662 HydrophobicContact CB-CB 4.42Å; I655-E662 PolarHBondContact N-O 3.45Å; I655-E662 PolarHBondContact O-N 3.14Å; E662-V739 HydrophobicContact CG-CB 4.16Å; E662-V739 HydrophobicContact CG-CG1 3.98Å; E662-V739 HydrophobicContact CG-CG2 3.86Å; E662-V739 VanDerWaalsContact OE1-CG2 3.27Å; E662-V739 WeakPolarHBondContact OE1-CG2 3.5Å
663P77.4Confident76.1Confident2 Ų259.1 Ų59.11%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-59.4146.4168.2-23.235000112.5P665 T668 Y693 F696P663-P665 WeakPolarHBondContact O-CD 3.49Å; P663-T668 HydrophobicContact CB-CG2 4.08Å; P663-Y693 HydrophobicContact CB-CD1 3.72Å; P663-Y693 HydrophobicContact CB-CE1 3.65Å; P663-Y693 HydrophobicContact CG-CD1 3.99Å; P663-Y693 HydrophobicContact CG-CE1 4.39Å; P663-F696 HydrophobicContact CG-CD1 4.17Å; P663-F696 HydrophobicContact CG-CD2 3.98Å; P663-F696 HydrophobicContact CG-CE1 4.33Å; P663-F696 HydrophobicContact CG-CE2 4.12Å; P663-F696 HydrophobicContact CG-CG 3.99Å; P663-F696 HydrophobicContact CG-CZ 4.29Å
664D74.5Confident76.6Confident30 Ų3060.3 Ų60.316%0.1629%0.293CS..  trans-62.7121.6175.9-173.6-29.1000111.7C650 S666 L667 T668C650-D664 PolarHBondContact SG-OD2 2.96Å; C650-D664 VanDerWaalsContact SG-OD2 3.39Å; D664-S666 PolarHBondContact O-N 3.47Å; D664-S666 VanDerWaalsContact O-N 3.17Å; D664-S666 VanDerWaalsContact OD1-CB 3.31Å; D664-S666 WeakPolarHBondContact OD1-CB 3.49Å; D664-S666 PolarHBondContact OD1-N 2.94Å; D664-S666 PolarHBondContact OD1-OG 3.11Å; D664-S666 PolarHBondContact OD2-OG 3.32Å; D664-L667 WeakPolarHBondContact O-CB 3.42Å; D664-L667 PolarHBondContact O-N 3.48Å; D664-T668 PolarHBondContact O-N 3.43Å
665P74Confident76.9Confident65 Ų6563.7 Ų63.742%0.42232%0.317SS..Hα-helixtrans-56-31.8179.6-27.534.1000114.2I655 P663 L667 T668 E669I655-P665 HydrophobicContact CG1-CG 4.24Å; P663-P665 WeakPolarHBondContact O-CD 3.49Å; P665-L667 PolarHBondContact O-N 3.17Å; P665-L667 VanDerWaalsContact O-N 3.14Å; P665-T668 VanDerWaalsContact CA-OG1 3.31Å; P665-T668 WeakPolarHBondContact CA-OG1 3.45Å; P665-T668 PolarHBondContact O-N 3.42Å; P665-T668 PolarHBondContact O-OG1 2.94Å; P665-E669 PolarHBondContact O-N 3.46Å
666S69.7Low77.1Confident70 Ų7065.6 Ų65.649%0.4933%0.329SS..Hα-helixtrans-64.2-20.4178.569.40000112.8D664 K670D664-S666 PolarHBondContact O-N 3.47Å; D664-S666 VanDerWaalsContact O-N 3.17Å; D664-S666 VanDerWaalsContact OD1-CB 3.31Å; D664-S666 WeakPolarHBondContact OD1-CB 3.49Å; D664-S666 PolarHBondContact OD1-N 2.94Å; D664-S666 PolarHBondContact OD1-OG 3.11Å; D664-S666 PolarHBondContact OD2-OG 3.32Å; S666-K670 WeakPolarHBondContact O-CG 3.36Å
667L65.3Low77.3Confident42 Ų4263.8 Ų63.822%0.2232%0.318CS..Hα-helixtrans-98.1-32.6176.5-164.967.3000112.7D664 P665 E669 K670 M671 L689 Y693D664-L667 WeakPolarHBondContact O-CB 3.42Å; D664-L667 PolarHBondContact O-N 3.48Å; P665-L667 PolarHBondContact O-N 3.17Å; P665-L667 VanDerWaalsContact O-N 3.14Å; L667-E669 PolarHBondContact O-N 3.36Å; L667-K670 HydrophobicContact CD1-CD 4.13Å; L667-K670 PolarHBondContact O-N 3.11Å; L667-M671 WeakPolarHBondContact O-CB 3.38Å; L667-M671 PolarHBondContact O-N 3.32Å; L667-L689 HydrophobicContact CD1-CD1 3.83Å; L667-L689 HydrophobicContact CD2-CD1 3.65Å; L667-L689 HydrophobicContact CG-CD1 3.96Å; L667-Y693 HydrophobicContact CD2-CD2 4.3Å; L667-Y693 HydrophobicContact CD2-CE2 3.12Å; L667-Y693 WeakPolarHBondContact CD2-OH 3.49Å; L667-Y693 HydrophobicContact CG-CE2 4.36Å
668T66.2Low77.5Confident13 Ų1371.2 Ų71.28%0.0835%0.349CS..Hα-helixtrans-62.5-35.3171.462.80000110.6P663 D664 P665 M671 R672 L735P663-T668 HydrophobicContact CB-CG2 4.08Å; D664-T668 PolarHBondContact O-N 3.43Å; P665-T668 VanDerWaalsContact CA-OG1 3.31Å; P665-T668 WeakPolarHBondContact CA-OG1 3.45Å; P665-T668 PolarHBondContact O-N 3.42Å; P665-T668 PolarHBondContact O-OG1 2.94Å; T668-M671 CarbonylContact O-C 3.58Å; T668-M671 WeakPolarHBondContact O-CA 3.21Å; T668-M671 VanDerWaalsContact O-CB 3.28Å; T668-M671 WeakPolarHBondContact O-CB 3.4Å; T668-M671 PolarHBondContact O-N 3.18Å; T668-M671 VanDerWaalsContact O-N 3.09Å; T668-R672 PolarHBondContact O-N 3.42Å; T668-L735 WeakPolarHBondContact O-CD2 3.45Å
669E68.9Low77.9Confident95 Ų9566.7 Ų66.744%0.44433%0.333SS..Hα-helixtrans-67.6-38.7174.9-16754.4-143.800112.6P665 L667 M671 R672 T673P665-E669 PolarHBondContact O-N 3.46Å; L667-E669 PolarHBondContact O-N 3.36Å; E669-M671 PolarHBondContact O-N 3.01Å; E669-R672 WeakPolarHBondContact O-CB 3.28Å; E669-R672 PolarHBondContact O-N 2.9Å; E669-R672 IonicContact OE2-NH1 2.66Å; E669-R672 PolarHBondContact OE2-NH1 3.32Å; E669-T673 PolarHBondContact O-N 3.43Å; E669-T673 PolarHBondContact O-OG1 3.23Å
670K67.6Low78.2Confident133 Ų13360.9 Ų60.958%0.57832%0.315SS*.Hα-helixtrans-64-31.7170.2-70.7174.8-178.5173.40112S666 L667 T673 Y674S666-K670 WeakPolarHBondContact O-CG 3.36Å; L667-K670 HydrophobicContact CD1-CD 4.13Å; L667-K670 PolarHBondContact O-N 3.11Å; K670-T673 PolarHBondContact O-N 3.42Å; K670-T673 PolarHBondContact O-OG1 2.89Å; K670-Y674 PolarHBondContact O-N 2.96Å; K670-Y674 VanDerWaalsContact O-N 3.15Å
671M72Confident78.2Confident4 Ų464.3 Ų64.32%0.0234%0.336CS..Hα-helixtrans-73.3-30.8176.8-162.463.7-178.500112.1L667 T668 E669 T673 Y674 F686 L689 R731 L734 L735L667-M671 WeakPolarHBondContact O-CB 3.38Å; L667-M671 PolarHBondContact O-N 3.32Å; T668-M671 CarbonylContact O-C 3.58Å; T668-M671 WeakPolarHBondContact O-CA 3.21Å; T668-M671 VanDerWaalsContact O-CB 3.28Å; T668-M671 WeakPolarHBondContact O-CB 3.4Å; T668-M671 PolarHBondContact O-N 3.18Å; T668-M671 VanDerWaalsContact O-N 3.09Å; E669-M671 PolarHBondContact O-N 3.01Å; M671-T673 PolarHBondContact O-N 3.19Å; M671-Y674 PolarHBondContact O-N 3.44Å; M671-Y674 HydrophobicContact SD-CD2 4.42Å; M671-Y674 HydrophobicContact SD-CG 4.4Å; M671-F686 HydrophobicContact CE-CD2 4.03Å; M671-F686 HydrophobicContact CE-CE2 3.15Å; M671-F686 HydrophobicContact CE-CZ 3.73Å; M671-F686 HydrophobicContact SD-CE2 4.25Å; M671-L689 HydrophobicContact SD-CD2 3.79Å; M671-R731 HydrophobicContact CE-CB 3.89Å; M671-R731 HydrophobicContact CE-CG 3.99Å; M671-R731 HydrophobicContact CG-CG 4.22Å; M671-R731 PolarHBondContact O-NE 3.37Å; M671-L734 HydrophobicContact CE-CD1 3.38Å; M671-L734 HydrophobicContact CG-CB 4.19Å; M671-L734 HydrophobicContact CG-CD1 4.2Å; M671-L734 HydrophobicContact SD-CD1 4.07Å; M671-L735 HydrophobicContact CB-CD2 4.49Å
672R75Confident78.4Confident150 Ų15065.6 Ų65.657%0.56634%0.341SS*.Hα-helixtrans-64.3-26.8172.8-169.2-177.7-114151.1-6.6112.4T668 E669 R731 L735T668-R672 PolarHBondContact O-N 3.42Å; E669-R672 WeakPolarHBondContact O-CB 3.28Å; E669-R672 PolarHBondContact O-N 2.9Å; E669-R672 IonicContact OE2-NH1 2.66Å; E669-R672 PolarHBondContact OE2-NH1 3.32Å; R672-R731 PolarHBondContact O-NH2 3.23Å; R672-L735 HydrophobicContact CB-CD2 4.25Å
673T75.4Confident78.7Confident104 Ų10463.8 Ų63.864%0.63833%0.333SS*.THydrogen-bonded Turntrans-108.77178.751.10000113.8E669 K670 M671E669-T673 PolarHBondContact O-N 3.43Å; E669-T673 PolarHBondContact O-OG1 3.23Å; K670-T673 PolarHBondContact O-N 3.42Å; K670-T673 PolarHBondContact O-OG1 2.89Å; M671-T673 PolarHBondContact O-N 3.19Å
674Y79.2Confident79.1Confident51 Ų5168.3 Ų68.320%0.235%0.354CS..PPolyproline II helixtrans-65.8125-175.2-156.3-81.6000111.9K670 M671 F686 L689 F727K670-Y674 PolarHBondContact O-N 2.96Å; K670-Y674 VanDerWaalsContact O-N 3.15Å; M671-Y674 PolarHBondContact O-N 3.44Å; M671-Y674 HydrophobicContact SD-CD2 4.42Å; M671-Y674 HydrophobicContact SD-CG 4.4Å; Y674-F686 AromaticContact CD1-CD2 3.9Å; Y674-F686 HydrophobicContact CD1-CD2 3.9Å; Y674-F686 HydrophobicContact CE1-CB 4.04Å; Y674-F686 AromaticContact CE1-CD2 3.74Å; Y674-F686 HydrophobicContact CE1-CD2 3.74Å; Y674-F686 HydrophobicContact CE1-CG 4.37Å; Y674-F686 PolarHBondContact OH-N 2.85Å; Y674-L689 HydrophobicContact CD2-CD2 4.22Å; Y674-L689 HydrophobicContact CE2-CD2 4.05Å; Y674-F727 HydrophobicContact CD1-CE2 4.11Å; Y674-F727 HydrophobicContact CD1-CZ 4.28Å
675P85Confident79.4Confident90 Ų9074.8 Ų74.858%0.58438%0.376SS*.PPolyproline II helixtrans-71.2153.3-178.729.6-35.1000111.9P677P675-P677 WeakPolarHBondContact O-CD 3.3Å
676V89.7Confident80Confident63 Ų6371.8 Ų71.838%0.38236%0.356SS..PPolyproline II helixtrans-64.4125.2172.7-179.20000109K678 W719 F727V676-K678 PolarHBondContact O-N 3.19Å; V676-W719 HydrophobicContact CG1-CH2 4.45Å; V676-W719 HydrophobicContact CG1-CZ2 3.65Å; V676-F727 HydrophobicContact CG2-CD1 4.5Å; V676-F727 HydrophobicContact CG2-CE1 3.97Å
677P88.2Confident80.8Confident3 Ų368.9 Ų68.92%0.01934%0.335CS..PPolyproline II helixtrans-59133-179.6-26.934.9000113.3P675 E682 V683 F686 W719 F727P675-P677 WeakPolarHBondContact O-CD 3.3Å; P677-E682 WeakPolarHBondContact CA-OE2 3.23Å; P677-E682 HydrophobicContact CB-CB 3.83Å; P677-V683 HydrophobicContact CB-CG2 3.56Å; P677-V683 HydrophobicContact CG-CG2 4.28Å; P677-F686 HydrophobicContact CG-CB 4.3Å; P677-W719 HydrophobicContact CB-CH2 4.19Å; P677-W719 HydrophobicContact CB-CZ3 3.97Å; P677-W719 HydrophobicContact CG-CH2 4.01Å; P677-W719 HydrophobicContact CG-CZ3 4.25Å; P677-F727 VanDerWaalsContact CD-CE2 3.42Å; P677-F727 HydrophobicContact CG-CD2 4.17Å; P677-F727 HydrophobicContact CG-CE2 4.04Å
678K89.2Confident81.4Confident171 Ų17169.1 Ų69.174%0.74335%0.348SS*.  trans-109.6-7.4-179.7-60-176.5-178.4-1790114V676 E682 F717V676-K678 PolarHBondContact O-N 3.19Å; K678-E682 PolarHBondContact N-OE2 3.04Å; K678-F717 WeakPolarHBondContact O-CE1 3.31Å
679C87.7Confident81.8Confident49 Ų4970.3 Ų70.333%0.33135%0.353SS..SBendtrans-149.4168.1177.669.20000112.4T681 E682 V683C679-T681 VanDerWaalsContact C-N 3.29Å; C679-T681 PolarHBondContact O-N 3.15Å; C679-E682 PolarHBondContact O-N 3.36Å; C679-E682 VanDerWaalsContact O-N 3.14Å; C679-V683 PolarHBondContact O-N 3.5Å
680L87.9Confident82.4Confident69 Ų6965.8 Ų65.836%0.36133%0.332SS..Hα-helixtrans-53.3-43.2179.3175.164.3000112.9E682 V683 Q684 L710 T711L680-E682 VanDerWaalsContact C-N 3.33Å; L680-E682 PolarHBondContact O-N 3.12Å; L680-V683 PolarHBondContact O-N 2.86Å; L680-Q684 HydrophobicContact CD1-CG 4.24Å; L680-Q684 WeakPolarHBondContact O-CG 3.49Å; L680-Q684 PolarHBondContact O-N 3.34Å; L680-L710 VanDerWaalsContact CD1-O 3.29Å; L680-L710 WeakPolarHBondContact CD1-O 3.46Å; L680-T711 HydrophobicContact CD1-CG2 3.89Å
681T83.4Confident83Confident73 Ų7361.7 Ų61.745%0.44832%0.32SS..Hα-helixtrans-63.9-38.5-178.7-51.60000111.8C679 Q684 R685C679-T681 VanDerWaalsContact C-N 3.29Å; C679-T681 PolarHBondContact O-N 3.15Å; T681-Q684 PolarHBondContact O-N 2.79Å; T681-R685 VanDerWaalsContact O-CG 3.29Å; T681-R685 WeakPolarHBondContact O-CG 3.35Å; T681-R685 PolarHBondContact O-N 3.24Å
682E87Confident83.1Confident62 Ų6267.3 Ų67.329%0.2934%0.342SS..Hα-helixtrans-70-38.9176-71.3175-175.200111.8P677 K678 C679 L680 Q684 R685 F686P677-E682 WeakPolarHBondContact CA-OE2 3.23Å; P677-E682 HydrophobicContact CB-CB 3.83Å; K678-E682 PolarHBondContact N-OE2 3.04Å; C679-E682 PolarHBondContact O-N 3.36Å; C679-E682 VanDerWaalsContact O-N 3.14Å; L680-E682 VanDerWaalsContact C-N 3.33Å; L680-E682 PolarHBondContact O-N 3.12Å; E682-Q684 PolarHBondContact O-N 3.2Å; E682-R685 PolarHBondContact O-N 3.43Å; E682-F686 WeakPolarHBondContact O-CB 3.21Å; E682-F686 PolarHBondContact O-N 3.44Å
683V89.7Confident83.1Confident0 Ų060.7 Ų60.70%032%0.317CS..Hα-helixtrans-62-43.1173.3174.40000111.4P677 C679 L680 F686 L687 L707 L710 T711 F717 W719P677-V683 HydrophobicContact CB-CG2 3.56Å; P677-V683 HydrophobicContact CG-CG2 4.28Å; C679-V683 PolarHBondContact O-N 3.5Å; L680-V683 PolarHBondContact O-N 2.86Å; V683-F686 PolarHBondContact O-N 2.96Å; V683-L687 HydrophobicContact CG1-CD1 3.87Å; V683-L687 HydrophobicContact CG1-CG 4.33Å; V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 WeakPolarHBondContact O-CG 3.35Å; V683-L687 PolarHBondContact O-N 3.23Å; V683-L707 HydrophobicContact CG1-CB 4.26Å; V683-L710 HydrophobicContact CG1-CB 4.47Å; V683-L710 HydrophobicContact CG2-CD1 4.16Å; V683-T711 HydrophobicContact CG1-CG2 4.12Å; V683-F717 HydrophobicContact CG2-CE2 3.72Å; V683-F717 HydrophobicContact CG2-CZ 4.31Å; V683-W719 HydrophobicContact CG2-CE3 4.44Å; V683-W719 HydrophobicContact CG2-CZ3 3.75Å
684Q84.8Confident83.4Confident97 Ų9761 Ų6145%0.45331%0.307SS..Hα-helixtrans-64.4-40.4176.3-73.1174.8-16.300112.1L680 T681 E682 G688 T711L680-Q684 HydrophobicContact CD1-CG 4.24Å; L680-Q684 WeakPolarHBondContact O-CG 3.49Å; L680-Q684 PolarHBondContact O-N 3.34Å; T681-Q684 PolarHBondContact O-N 2.79Å; E682-Q684 PolarHBondContact O-N 3.2Å; Q684-G688 PolarHBondContact O-N 3.06Å; Q684-T711 HydrophobicContact CG-CG2 3.86Å
685R81.4Confident83.5Confident167 Ų16761.7 Ų61.763%0.6331%0.311SS*.Hα-helixtrans-61.8-45.9174-74.9173.1-176.9171.72.2111.4T681 E682 G688 L689T681-R685 VanDerWaalsContact O-CG 3.29Å; T681-R685 WeakPolarHBondContact O-CG 3.35Å; T681-R685 PolarHBondContact O-N 3.24Å; E682-R685 PolarHBondContact O-N 3.43Å; R685-G688 PolarHBondContact O-N 2.92Å; R685-L689 PolarHBondContact O-N 3.48Å
686F87Confident83.3Confident1 Ų157.7 Ų57.70%0.00428%0.284CS..Hα-helixtrans-62.9-48.1177.1176.9-94.9000112.1M671 Y674 P677 E682 V683 G688 L689 A690 L707 F727 L730M671-F686 HydrophobicContact CE-CD2 4.03Å; M671-F686 HydrophobicContact CE-CE2 3.15Å; M671-F686 HydrophobicContact CE-CZ 3.73Å; M671-F686 HydrophobicContact SD-CE2 4.25Å; Y674-F686 AromaticContact CD1-CD2 3.9Å; Y674-F686 HydrophobicContact CD1-CD2 3.9Å; Y674-F686 HydrophobicContact CE1-CB 4.04Å; Y674-F686 AromaticContact CE1-CD2 3.74Å; Y674-F686 HydrophobicContact CE1-CD2 3.74Å; Y674-F686 HydrophobicContact CE1-CG 4.37Å; Y674-F686 PolarHBondContact OH-N 2.85Å; P677-F686 HydrophobicContact CG-CB 4.3Å; E682-F686 WeakPolarHBondContact O-CB 3.21Å; E682-F686 PolarHBondContact O-N 3.44Å; V683-F686 PolarHBondContact O-N 2.96Å; F686-G688 VanDerWaalsContact C-N 3.32Å; F686-G688 PolarHBondContact O-N 3.27Å; F686-L689 WeakPolarHBondContact O-CB 3.42Å; F686-L689 PolarHBondContact O-N 3.29Å; F686-A690 WeakPolarHBondContact O-CB 3.36Å; F686-A690 PolarHBondContact O-N 3.27Å; F686-L707 HydrophobicContact CD1-CD1 3.86Å; F686-L707 HydrophobicContact CE1-CD1 3.58Å; F686-F727 HydrophobicContact CD1-CD2 4.12Å; F686-F727 AromaticContact CD2-CD2 3.8Å; F686-F727 HydrophobicContact CD2-CD2 3.8Å; F686-F727 AromaticContact CD2-CE2 3.45Å; F686-F727 HydrophobicContact CD2-CE2 3.45Å; F686-F727 VanDerWaalsContact CD2-CE2 3.45Å; F686-F727 AromaticContact CE1-CD2 3.76Å; F686-F727 HydrophobicContact CE1-CD2 3.76Å; F686-F727 HydrophobicContact CE1-CE2 4.4Å; F686-F727 AromaticContact CE2-CD2 3.33Å; F686-F727 HydrophobicContact CE2-CD2 3.33Å; F686-F727 AromaticContact CE2-CE2 3.14Å; F686-F727 HydrophobicContact CE2-CE2 3.14Å; F686-F727 HydrophobicContact CE2-CG 4.41Å; F686-F727 HydrophobicContact CE2-CZ 4.12Å; F686-F727 HydrophobicContact CG-CD2 4.14Å; F686-F727 HydrophobicContact CG-CE2 4.14Å; F686-F727 AromaticContact CZ-CD2 3.35Å; F686-F727 HydrophobicContact CZ-CD2 3.35Å; F686-F727 AromaticContact CZ-CE2 3.71Å; F686-F727 HydrophobicContact CZ-CE2 3.71Å; F686-F727 HydrophobicContact CZ-CG 4.17Å; F686-L730 HydrophobicContact CE1-CB 4.25Å; F686-L730 HydrophobicContact CE1-CD1 3.88Å; F686-L730 HydrophobicContact CZ-CB 4.06Å
687L86.8Confident82.9Confident10 Ų1054.8 Ų54.85%0.05227%0.267CS..Hα-helixtrans-62.2-38.8177-78.6172.7000111.9V683 S691 A704 L707 T711V683-L687 HydrophobicContact CG1-CD1 3.87Å; V683-L687 HydrophobicContact CG1-CG 4.33Å; V683-L687 WeakPolarHBondContact O-CB 3.37Å; V683-L687 WeakPolarHBondContact O-CG 3.35Å; V683-L687 PolarHBondContact O-N 3.23Å; L687-S691 WeakPolarHBondContact O-CA 3.5Å; L687-S691 WeakPolarHBondContact O-CB 3.33Å; L687-S691 PolarHBondContact O-N 3.37Å; L687-A704 HydrophobicContact CD2-CB 4.01Å; L687-L707 HydrophobicContact CD1-CB 4.09Å; L687-L707 HydrophobicContact CD2-CB 3.88Å; L687-L707 HydrophobicContact CD2-CD1 4.26Å; L687-L707 HydrophobicContact CG-CB 4.16Å; L687-T711 HydrophobicContact CD1-CG2 3.93Å
688G76.4Confident82.7Confident46 Ų4660.7 Ų60.747%0.47429%0.292SS..Hα-helixtrans-61.5-44.6174.500000112.3Q684 R685 F686 Y692Q684-G688 PolarHBondContact O-N 3.06Å; R685-G688 PolarHBondContact O-N 2.92Å; F686-G688 VanDerWaalsContact C-N 3.32Å; F686-G688 PolarHBondContact O-N 3.27Å; G688-Y692 PolarHBondContact O-N 2.86Å
689L75.5Confident82.3Confident38 Ų3855.3 Ų55.320%0.19927%0.271CS..Hα-helixtrans-62.2-52.5175178.365.8000111.6L667 M671 Y674 R685 F686 S691 Y692 Y693L667-L689 HydrophobicContact CD1-CD1 3.83Å; L667-L689 HydrophobicContact CD2-CD1 3.65Å; L667-L689 HydrophobicContact CG-CD1 3.96Å; M671-L689 HydrophobicContact SD-CD2 3.79Å; Y674-L689 HydrophobicContact CD2-CD2 4.22Å; Y674-L689 HydrophobicContact CE2-CD2 4.05Å; R685-L689 PolarHBondContact O-N 3.48Å; F686-L689 WeakPolarHBondContact O-CB 3.42Å; F686-L689 PolarHBondContact O-N 3.29Å; L689-S691 VanDerWaalsContact C-N 3.31Å; L689-S691 PolarHBondContact O-N 3.36Å; L689-Y692 WeakPolarHBondContact O-CB 3.39Å; L689-Y692 PolarHBondContact O-N 3Å; L689-Y693 HydrophobicContact CD1-CE2 4.46Å; L689-Y693 WeakPolarHBondContact O-CD2 3.35Å
690A82.1Confident82.3Confident0 Ų053.4 Ų53.40%026%0.257CS..Hα-helixtrans-66.7-33.7-177.800000112F686 Y692 Y693 R694 F700 L734F686-A690 WeakPolarHBondContact O-CB 3.36Å; F686-A690 PolarHBondContact O-N 3.27Å; A690-Y692 VanDerWaalsContact C-N 3.31Å; A690-Y692 PolarHBondContact O-N 3.35Å; A690-Y693 CarbonylContact O-C 3.58Å; A690-Y693 PolarHBondContact O-N 3.08Å; A690-R694 PolarHBondContact O-N 3.04Å; A690-F700 VanDerWaalsContact C-CE2 3.5Å; A690-F700 HydrophobicContact CB-CE2 3.71Å; A690-F700 HydrophobicContact CB-CZ 4.14Å; A690-F700 WeakPolarHBondContact O-CE2 3.48Å; A690-L734 HydrophobicContact CB-CD1 4.02Å
691S78.7Confident82.2Confident47 Ų4750.3 Ų50.333%0.32924%0.242SC..Hα-helixtrans-67-27.9175.8-176.50000113L687 L689 Y693 R694L687-S691 WeakPolarHBondContact O-CA 3.5Å; L687-S691 WeakPolarHBondContact O-CB 3.33Å; L687-S691 PolarHBondContact O-N 3.37Å; L689-S691 VanDerWaalsContact C-N 3.31Å; L689-S691 PolarHBondContact O-N 3.36Å; S691-Y693 VanDerWaalsContact C-N 3.25Å; S691-Y693 PolarHBondContact O-N 2.93Å; S691-R694 WeakPolarHBondContact O-CB 3.44Å; S691-R694 WeakPolarHBondContact O-CD 3.49Å; S691-R694 WeakPolarHBondContact O-CG 3.35Å; S691-R694 PolarHBondContact O-N 3.18Å
692Y74Confident82.3Confident123 Ų12348.8 Ų48.848%0.48224%0.237SC..Hα-helixtrans-62-36.9174-173.6-92.5000111.3L652 H654 G688 L689 A690L652-Y692 PolarHBondContact O-OH 3.11Å; H654-Y692 AromaticContact CE1-CE1 3.75Å; G688-Y692 PolarHBondContact O-N 2.86Å; L689-Y692 WeakPolarHBondContact O-CB 3.39Å; L689-Y692 PolarHBondContact O-N 3Å; A690-Y692 VanDerWaalsContact C-N 3.31Å; A690-Y692 PolarHBondContact O-N 3.35Å
693Y75.3Confident82.4Confident11 Ų1147.7 Ų47.74%0.04323%0.232CC..THydrogen-bonded Turntrans-9812.9179.6-65.6-78.6000113.8G653 P663 L667 L689 A690 S691 K695 F696 L734G653-Y693 PolarHBondContact O-OH 3.46Å; P663-Y693 HydrophobicContact CB-CD1 3.72Å; P663-Y693 HydrophobicContact CB-CE1 3.65Å; P663-Y693 HydrophobicContact CG-CD1 3.99Å; P663-Y693 HydrophobicContact CG-CE1 4.39Å; L667-Y693 HydrophobicContact CD2-CD2 4.3Å; L667-Y693 HydrophobicContact CD2-CE2 3.12Å; L667-Y693 WeakPolarHBondContact CD2-OH 3.49Å; L667-Y693 HydrophobicContact CG-CE2 4.36Å; L689-Y693 HydrophobicContact CD1-CE2 4.46Å; L689-Y693 WeakPolarHBondContact O-CD2 3.35Å; A690-Y693 CarbonylContact O-C 3.58Å; A690-Y693 PolarHBondContact O-N 3.08Å; S691-Y693 VanDerWaalsContact C-N 3.25Å; S691-Y693 PolarHBondContact O-N 2.93Å; Y693-K695 PolarHBondContact O-N 3.15Å; Y693-F696 AromaticContact CD1-CD2 3.72Å; Y693-F696 HydrophobicContact CD1-CD2 3.72Å; Y693-F696 AromaticContact CD1-CE2 3.74Å; Y693-F696 HydrophobicContact CD1-CE2 3.74Å; Y693-F696 HydrophobicContact CE1-CE2 4.43Å; Y693-F696 HydrophobicContact CG-CD2 4.37Å; Y693-F696 WeakPolarHBondContact O-CB 3.19Å; Y693-F696 PolarHBondContact O-N 3.42Å; Y693-L734 HydrophobicContact CD2-CD2 4.09Å; Y693-L734 HydrophobicContact CG-CD2 3.84Å
694R82.8Confident82.5Confident110 Ų11047.7 Ų47.742%0.41523%0.232SC..G310 helixtrans-55.3-24.6-179.170.9-173.1178.5142.92113.7A690 S691 F696 I697 F700A690-R694 PolarHBondContact O-N 3.04Å; S691-R694 WeakPolarHBondContact O-CB 3.44Å; S691-R694 WeakPolarHBondContact O-CD 3.49Å; S691-R694 WeakPolarHBondContact O-CG 3.35Å; S691-R694 PolarHBondContact O-N 3.18Å; R694-F696 PolarHBondContact O-N 2.99Å; R694-I697 PolarHBondContact O-N 3.29Å; R694-F700 HydrophobicContact CB-CB 4.19Å; R694-F700 HydrophobicContact CB-CD1 3.89Å; R694-F700 HydrophobicContact CB-CD2 4.08Å; R694-F700 HydrophobicContact CB-CE1 4.31Å; R694-F700 HydrophobicContact CB-CE2 4.46Å; R694-F700 HydrophobicContact CB-CG 3.77Å
695K80Confident82.7Confident65 Ų6545.2 Ų45.228%0.28322%0.22SC..G310 helixtrans-66-17.117674176.5-176.4-177.90114H654 Y693 L740 F778H654-K695 PolarHBondContact CD2-NZ 3.31Å; H654-K695 WeakPolarHBondContact NE2-CE 3.45Å; H654-K695 PolarHBondContact NE2-NZ 3.48Å; H654-K695 VanDerWaalsContact NE2-NZ 3.13Å; Y693-K695 PolarHBondContact O-N 3.15Å; K695-L740 HydrophobicContact CD-CD1 4.38Å; K695-L740 HydrophobicContact CG-CD1 4.13Å; K695-L740 WeakPolarHBondContact O-CD1 3.41Å; K695-F778 WeakPolarHBondContact CA-O 3.45Å; K695-F778 WeakPolarHBondContact O-CB 3.4Å; K695-F778 VanDerWaalsContact O-CD2 3.3Å; K695-F778 WeakPolarHBondContact O-CD2 3.19Å; K695-F778 PolarHBondContact O-N 3.23Å
696F81.9Confident83.2Confident6 Ų638.1 Ų38.13%0.02620%0.196CC..G310 helixtrans-97.6-10.2178-65.3-75.4000112.9H654 I661 P663 Y693 R694 P738 L740H654-F696 AromaticContact CD2-CE2 3.42Å; H654-F696 VanDerWaalsContact CD2-CE2 3.42Å; H654-F696 WeakPolarHBondContact CD2-CE2 3.36Å; H654-F696 AromaticContact CD2-CZ 3.52Å; H654-F696 AromaticContact NE2-CE2 3.59Å; I661-F696 HydrophobicContact CG2-CZ 4.11Å; I661-F696 WeakPolarHBondContact O-CE1 3.46Å; P663-F696 HydrophobicContact CG-CD1 4.17Å; P663-F696 HydrophobicContact CG-CD2 3.98Å; P663-F696 HydrophobicContact CG-CE1 4.33Å; P663-F696 HydrophobicContact CG-CE2 4.12Å; P663-F696 HydrophobicContact CG-CG 3.99Å; P663-F696 HydrophobicContact CG-CZ 4.29Å; Y693-F696 AromaticContact CD1-CD2 3.72Å; Y693-F696 HydrophobicContact CD1-CD2 3.72Å; Y693-F696 AromaticContact CD1-CE2 3.74Å; Y693-F696 HydrophobicContact CD1-CE2 3.74Å; Y693-F696 HydrophobicContact CE1-CE2 4.43Å; Y693-F696 HydrophobicContact CG-CD2 4.37Å; Y693-F696 WeakPolarHBondContact O-CB 3.19Å; Y693-F696 PolarHBondContact O-N 3.42Å; R694-F696 PolarHBondContact O-N 2.99Å; F696-P738 HydrophobicContact CB-CG 3.75Å; F696-P738 HydrophobicContact CD1-CG 4.23Å; F696-P738 WeakPolarHBondContact CD1-O 3.1Å; F696-P738 HydrophobicContact CG-CG 4.43Å; F696-P738 VanDerWaalsContact O-CG 3.3Å; F696-P738 WeakPolarHBondContact O-CG 3.29Å; F696-L740 HydrophobicContact CD1-CD1 3.45Å; F696-L740 VanDerWaalsContact CD1-CD1 3.45Å; F696-L740 HydrophobicContact CD1-CG 3.63Å; F696-L740 HydrophobicContact CE1-CB 4.31Å; F696-L740 HydrophobicContact CE1-CD1 3.41Å; F696-L740 VanDerWaalsContact CE1-CD1 3.41Å; F696-L740 HydrophobicContact CE1-CG 3.69Å; F696-L740 HydrophobicContact CG-CD1 4.19Å; F696-L740 HydrophobicContact CZ-CD1 4.14Å
697I81.8Confident83.5Confident3 Ų338.1 Ų38.12%0.01520%0.196CC..SBendtrans-113.7107.4-170.7-56.8169.5000109.2R694 N699 F700 I703 L730 A733 L734R694-I697 PolarHBondContact O-N 3.29Å; I697-N699 PolarHBondContact O-N 2.88Å; I697-F700 HydrophobicContact CB-CB 4.12Å; I697-F700 HydrophobicContact CB-CD2 4.2Å; I697-F700 HydrophobicContact CD1-CD2 3.73Å; I697-F700 HydrophobicContact CD1-CE2 4.19Å; I697-F700 HydrophobicContact CG2-CB 4.03Å; I697-F700 HydrophobicContact CG2-CD2 4.19Å; I697-F700 PolarHBondContact O-N 3.45Å; I697-I703 HydrophobicContact CG2-CD1 4.15Å; I697-L730 HydrophobicContact CD1-CD2 4.25Å; I697-L730 HydrophobicContact CG2-CD2 4.2Å; I697-A733 HydrophobicContact CD1-CB 4.47Å; I697-A733 HydrophobicContact CG1-CB 4.04Å; I697-A733 HydrophobicContact CG2-CB 3.92Å; I697-L734 HydrophobicContact CD1-CD2 3.78Å; I697-L734 HydrophobicContact CD1-CG 3.88Å; I697-L734 HydrophobicContact CG1-CD2 4.49Å
698K82.5Confident83.6Confident126 Ų12641 Ų4155%0.54821%0.209SC..THydrogen-bonded Turntrans-57.6131.3171.3-171.3176.4-179.2177.70109.7F700 F778K698-F700 VanDerWaalsContact C-N 3.26Å; K698-F700 PolarHBondContact O-N 2.92Å; K698-F778 HydrophobicContact CB-CD1 3.87Å; K698-F778 HydrophobicContact CB-CE1 3.97Å; K698-F778 HydrophobicContact CB-CG 4.38Å; K698-F778 HydrophobicContact CD-CE1 4.43Å; K698-F778 HydrophobicContact CG-CD1 4.18Å; K698-F778 HydrophobicContact CG-CE1 4.26Å
699N81.8Confident84.2Confident59 Ų5941.1 Ų41.132%0.31620%0.197SC..THydrogen-bonded Turntrans58.428.5178.3-60.5-18.2000115.4I697 A701 A702 I703I697-N699 PolarHBondContact O-N 2.88Å; N699-A701 VanDerWaalsContact C-N 3.26Å; N699-A701 PolarHBondContact O-N 3.45Å; N699-A701 VanDerWaalsContact O-N 3.09Å; N699-A702 HydrophobicContact CB-CB 4.4Å; N699-A702 WeakPolarHBondContact O-CB 3.47Å; N699-A702 PolarHBondContact O-N 2.94Å; N699-I703 PolarHBondContact O-N 2.92Å
700F87.2Confident84.9Confident8 Ų839.7 Ų39.74%0.03519%0.19CC..Hα-helixtrans-40.9-49.1178.5176.5-93.1000114.2A690 R694 I697 K698 A702 I703 A704 L730 S780A690-F700 VanDerWaalsContact C-CE2 3.5Å; A690-F700 HydrophobicContact CB-CE2 3.71Å; A690-F700 HydrophobicContact CB-CZ 4.14Å; A690-F700 WeakPolarHBondContact O-CE2 3.48Å; R694-F700 HydrophobicContact CB-CB 4.19Å; R694-F700 HydrophobicContact CB-CD1 3.89Å; R694-F700 HydrophobicContact CB-CD2 4.08Å; R694-F700 HydrophobicContact CB-CE1 4.31Å; R694-F700 HydrophobicContact CB-CE2 4.46Å; R694-F700 HydrophobicContact CB-CG 3.77Å; I697-F700 HydrophobicContact CB-CB 4.12Å; I697-F700 HydrophobicContact CB-CD2 4.2Å; I697-F700 HydrophobicContact CD1-CD2 3.73Å; I697-F700 HydrophobicContact CD1-CE2 4.19Å; I697-F700 HydrophobicContact CG2-CB 4.03Å; I697-F700 HydrophobicContact CG2-CD2 4.19Å; I697-F700 PolarHBondContact O-N 3.45Å; K698-F700 VanDerWaalsContact C-N 3.26Å; K698-F700 PolarHBondContact O-N 2.92Å; F700-A702 VanDerWaalsContact C-N 3.33Å; F700-A702 PolarHBondContact O-N 2.87Å; F700-I703 PolarHBondContact O-N 3.45Å; F700-A704 HydrophobicContact CD1-CB 4.37Å; F700-A704 HydrophobicContact CE1-CB 4.01Å; F700-A704 HydrophobicContact CZ-CB 4.13Å; F700-A704 VanDerWaalsContact O-CB 3.23Å; F700-A704 WeakPolarHBondContact O-CB 3.45Å; F700-A704 PolarHBondContact O-N 3.32Å; F700-L730 HydrophobicContact CD2-CD2 3.51Å; F700-L730 HydrophobicContact CE2-CD1 4.32Å; F700-L730 HydrophobicContact CE2-CD2 3.68Å; F700-L730 HydrophobicContact CG-CD2 4.46Å; F700-S780 WeakPolarHBondContact CB-OG 3.4Å; F700-S780 PolarHBondContact N-OG 3.24Å; F700-S780 VanDerWaalsContact N-OG 3.15Å
701A85.6Confident85.1Confident5 Ų541.8 Ų41.84%0.04120%0.202CC..Hα-helixtrans-63.7-34.6-177.200000113.7N699 K705 A759 S780 T782N699-A701 VanDerWaalsContact C-N 3.26Å; N699-A701 PolarHBondContact O-N 3.45Å; N699-A701 VanDerWaalsContact O-N 3.09Å; A701-K705 PolarHBondContact O-N 3.41Å; A701-A759 HydrophobicContact CB-CB 4.35Å; A701-S780 PolarHBondContact N-OG 3.48Å; A701-T782 HydrophobicContact CB-CG2 3.89Å; A701-T782 WeakPolarHBondContact O-CG2 3.49Å
702A85Confident85.5Confident40 Ų4045 Ų4533%0.33121%0.212SC..Hα-helixtrans-70.4-42.7176.200000110.7N699 F700 K705 A759N699-A702 HydrophobicContact CB-CB 4.4Å; N699-A702 WeakPolarHBondContact O-CB 3.47Å; N699-A702 PolarHBondContact O-N 2.94Å; F700-A702 VanDerWaalsContact C-N 3.33Å; F700-A702 PolarHBondContact O-N 2.87Å; A702-K705 WeakPolarHBondContact O-CB 3.32Å; A702-A759 HydrophobicContact CB-CB 4.16Å
703I90.3Very high85.8Confident40 Ų4048.8 Ų48.821%0.20523%0.231CC..Hα-helixtrans-67.6-43.6178.2-52.3170.5000110.6I697 N699 F700 K705 P706 A726 K729 L730I697-I703 HydrophobicContact CG2-CD1 4.15Å; N699-I703 PolarHBondContact O-N 2.92Å; F700-I703 PolarHBondContact O-N 3.45Å; I703-K705 VanDerWaalsContact C-N 3.27Å; I703-K705 PolarHBondContact O-N 2.96Å; I703-P706 VanDerWaalsContact O-CD 3.32Å; I703-P706 WeakPolarHBondContact O-CD 3.41Å; I703-A726 WeakPolarHBondContact O-CB 3.34Å; I703-K729 HydrophobicContact CG2-CB 3.54Å; I703-K729 HydrophobicContact CG2-CD 4.42Å; I703-L730 HydrophobicContact CB-CD2 4.02Å; I703-L730 HydrophobicContact CB-CG 4.32Å; I703-L730 HydrophobicContact CG2-CD2 3.87Å; I703-L730 HydrophobicContact CG2-CG 3.69Å
704A91.5Very high85.9Confident0 Ų060.5 Ų60.50%028%0.275CS..Hα-helixtrans-75.3-9.6-177.600000114.2L687 F700 L707 H708 L730L687-A704 HydrophobicContact CD2-CB 4.01Å; F700-A704 HydrophobicContact CD1-CB 4.37Å; F700-A704 HydrophobicContact CE1-CB 4.01Å; F700-A704 HydrophobicContact CZ-CB 4.13Å; F700-A704 VanDerWaalsContact O-CB 3.23Å; F700-A704 WeakPolarHBondContact O-CB 3.45Å; F700-A704 PolarHBondContact O-N 3.32Å; A704-L707 WeakPolarHBondContact O-CB 3.3Å; A704-L707 PolarHBondContact O-N 2.72Å; A704-L707 VanDerWaalsContact O-N 3.11Å; A704-H708 PolarHBondContact O-CD2 2.92Å; A704-H708 PolarHBondContact O-N 2.98Å; A704-L730 HydrophobicContact CB-CD1 3.98Å
705K89.2Confident85.8Confident45 Ų4559.8 Ų59.820%0.19628%0.275CS..Hα-helixtrans-55.3-48-173.9177.9-169.6173.1-155.90113.5A701 A702 I703 L707 H708 Q709A701-K705 PolarHBondContact O-N 3.41Å; A702-K705 WeakPolarHBondContact O-CB 3.32Å; I703-K705 VanDerWaalsContact C-N 3.27Å; I703-K705 PolarHBondContact O-N 2.96Å; K705-L707 VanDerWaalsContact C-N 3.25Å; K705-L707 PolarHBondContact O-N 2.75Å; K705-H708 PolarHBondContact O-N 3.4Å; K705-Q709 WeakPolarHBondContact O-CG 3.47Å; K705-Q709 PolarHBondContact O-N 3.01Å
706P92Very high85.9Confident18 Ų1860.8 Ų60.812%0.11729%0.288CS..Hα-helixtrans-60.1-36.3178-24.536.8000112.5I703 Q709 E722 C723 A726I703-P706 VanDerWaalsContact O-CD 3.32Å; I703-P706 WeakPolarHBondContact O-CD 3.41Å; P706-Q709 PolarHBondContact O-N 2.94Å; P706-E722 HydrophobicContact CB-CB 4.09Å; P706-E722 HydrophobicContact CG-CB 4.15Å; P706-C723 PolarHBondContact O-SG 3.47Å; P706-A726 HydrophobicContact CB-CB 4.15Å; P706-A726 HydrophobicContact CG-CB 4Å
707L92.4Very high86.2Confident0 Ų064 Ų640%030%0.302CS..Hα-helixtrans-72.2-39.7177.2-60.6178.7000112.1V683 F686 L687 A704 K705 Q709 L710 W719 C723 A726 F727 L730V683-L707 HydrophobicContact CG1-CB 4.26Å; F686-L707 HydrophobicContact CD1-CD1 3.86Å; F686-L707 HydrophobicContact CE1-CD1 3.58Å; L687-L707 HydrophobicContact CD1-CB 4.09Å; L687-L707 HydrophobicContact CD2-CB 3.88Å; L687-L707 HydrophobicContact CD2-CD1 4.26Å; L687-L707 HydrophobicContact CG-CB 4.16Å; A704-L707 WeakPolarHBondContact O-CB 3.3Å; A704-L707 PolarHBondContact O-N 2.72Å; A704-L707 VanDerWaalsContact O-N 3.11Å; K705-L707 VanDerWaalsContact C-N 3.25Å; K705-L707 PolarHBondContact O-N 2.75Å; L707-Q709 VanDerWaalsContact C-N 3.28Å; L707-Q709 PolarHBondContact O-N 3.28Å; L707-L710 WeakPolarHBondContact O-CB 3.29Å; L707-L710 PolarHBondContact O-N 3.03Å; L707-W719 HydrophobicContact CD2-CH2 3.57Å; L707-W719 HydrophobicContact CD2-CZ3 3.7Å; L707-C723 HydrophobicContact CD2-CB 4.01Å; L707-A726 HydrophobicContact CD1-CB 4.3Å; L707-A726 HydrophobicContact CG-CB 3.97Å; L707-F727 HydrophobicContact CD1-CB 4.48Å; L707-L730 HydrophobicContact CD1-CD1 3.97Å
708H89.8Confident86.6Confident71 Ų7170.3 Ų70.333%0.32933%0.332SS..Hα-helixtrans-62.4-35.6173.8-81.9-58.8000112.3A704 K705 L710 T711A704-H708 PolarHBondContact O-CD2 2.92Å; A704-H708 PolarHBondContact O-N 2.98Å; K705-H708 PolarHBondContact O-N 3.4Å; H708-L710 PolarHBondContact O-N 3.45Å; H708-T711 WeakPolarHBondContact O-CA 3.44Å; H708-T711 WeakPolarHBondContact O-CB 3.31Å; H708-T711 PolarHBondContact O-N 3.28Å; H708-T711 PolarHBondContact O-OG1 3.44Å
709Q88.8Confident87.1Confident49 Ų4967.8 Ų67.823%0.22932%0.319CS..Hα-helixtrans-62.3-30.2175.8-74.1173.6-3000112.6K705 P706 L707 T711 E712 K715K705-Q709 WeakPolarHBondContact O-CG 3.47Å; K705-Q709 PolarHBondContact O-N 3.01Å; P706-Q709 PolarHBondContact O-N 2.94Å; L707-Q709 VanDerWaalsContact C-N 3.28Å; L707-Q709 PolarHBondContact O-N 3.28Å; Q709-T711 PolarHBondContact O-N 2.96Å; Q709-E712 PolarHBondContact O-N 3.18Å; Q709-K715 WeakPolarHBondContact O-CD 3.31Å
710L90.2Very high87.6Confident8 Ų867.3 Ų67.34%0.04232%0.32CS..THydrogen-bonded Turntrans-67.2-17.8172.5-62.1178.4000112.7L680 V683 L707 H708 F717 E718 W719 C723L680-L710 VanDerWaalsContact CD1-O 3.29Å; L680-L710 WeakPolarHBondContact CD1-O 3.46Å; V683-L710 HydrophobicContact CG1-CB 4.47Å; V683-L710 HydrophobicContact CG2-CD1 4.16Å; L707-L710 WeakPolarHBondContact O-CB 3.29Å; L707-L710 PolarHBondContact O-N 3.03Å; H708-L710 PolarHBondContact O-N 3.45Å; L710-F717 HydrophobicContact CD1-CE2 4.18Å; L710-E718 WeakPolarHBondContact CD2-O 3.3Å; L710-W719 HydrophobicContact CD1-CE3 3.82Å; L710-W719 HydrophobicContact CD1-CZ3 3.97Å; L710-C723 HydrophobicContact CD1-CB 4.25Å
711T87.3Confident87.9Confident44 Ų4474 Ų7427%0.2736%0.355SS..THydrogen-bonded Turntrans-93.80.9-179.371.40000114.8L680 V683 Q684 L687 H708 Q709L680-T711 HydrophobicContact CD1-CG2 3.89Å; V683-T711 HydrophobicContact CG1-CG2 4.12Å; Q684-T711 HydrophobicContact CG-CG2 3.86Å; L687-T711 HydrophobicContact CD1-CG2 3.93Å; H708-T711 WeakPolarHBondContact O-CA 3.44Å; H708-T711 WeakPolarHBondContact O-CB 3.31Å; H708-T711 PolarHBondContact O-N 3.28Å; H708-T711 PolarHBondContact O-OG1 3.44Å; Q709-T711 PolarHBondContact O-N 2.96Å
712E85.6Confident88.2Confident113 Ų11379.7 Ų79.753%0.52838%0.381SS..SBendtrans-69.5141.5178.4-67.2178-173.700111.7Q709 R714 K715Q709-E712 PolarHBondContact O-N 3.18Å; E712-R714 PolarHBondContact O-N 3.42Å; E712-K715 PolarHBondContact O-N 3Å
713K80.1Confident88.6Confident204 Ų20477.9 Ų77.989%0.88737%0.367SS*.THydrogen-bonded Turntrans-61.6135.1-178.5-68.1-173179.5-176.60110.6K715K713-K715 VanDerWaalsContact C-N 3.32Å; K713-K715 PolarHBondContact O-N 2.81Å
714R78.6Confident88.8Confident257 Ų25777.1 Ų77.197%0.9737%0.366SS*.THydrogen-bonded Turntrans69.414.7177-50.9178.5177.4179.4-2.3115.7E712E712-R714 PolarHBondContact O-N 3.42Å
715K79.5Confident88.9Confident94 Ų9482 Ų8241%0.40939%0.389SS..  trans-90.4130.6171.5-162.7-178.4-177.8-178.30110.5Q709 E712 K713Q709-K715 WeakPolarHBondContact O-CD 3.31Å; E712-K715 PolarHBondContact O-N 3Å; K713-K715 VanDerWaalsContact C-N 3.32Å; K713-K715 PolarHBondContact O-N 2.81Å
716P83.3Confident89.1Confident87 Ų8780.1 Ų80.157%0.56538%0.381SS*.  trans-62.9149.1171.325.8-32.3000110.9E718P716-E718 PolarHBondContact O-N 3.22Å
717F88.8Confident89.1Confident72 Ų7279.2 Ų79.232%0.31638%0.376SS..  trans-79.6107.1178.6-178.8-90.6000109.9K678 V683 L710 W719K678-F717 WeakPolarHBondContact O-CE1 3.31Å; V683-F717 HydrophobicContact CG2-CE2 3.72Å; V683-F717 HydrophobicContact CG2-CZ 4.31Å; L710-F717 HydrophobicContact CD1-CE2 4.18Å; F717-W719 HydrophobicContact CE1-CB 4.44Å; F717-W719 AromaticContact CZ-CE3 3.99Å; F717-W719 HydrophobicContact CZ-CE3 3.99Å
718E89.8Confident89.1Confident136 Ų13684 Ų8464%0.63640%0.398SS*.  trans-128113.1177-69.6177.1-175.800109.5L710 P716 S720L710-E718 WeakPolarHBondContact CD2-O 3.3Å; P716-E718 PolarHBondContact O-N 3.22Å; E718-S720 PolarHBondContact O-N 3.44Å; E718-S720 VanDerWaalsContact O-N 3.17Å
719W92.2Very high89.2Confident73 Ų7386 Ų8628%0.27741%0.405SS..  trans-81.794.1-179.7-169-96.3000110.8V676 P677 V683 L707 L710 F717 C723 F727V676-W719 HydrophobicContact CG1-CH2 4.45Å; V676-W719 HydrophobicContact CG1-CZ2 3.65Å; P677-W719 HydrophobicContact CB-CH2 4.19Å; P677-W719 HydrophobicContact CB-CZ3 3.97Å; P677-W719 HydrophobicContact CG-CH2 4.01Å; P677-W719 HydrophobicContact CG-CZ3 4.25Å; V683-W719 HydrophobicContact CG2-CE3 4.44Å; V683-W719 HydrophobicContact CG2-CZ3 3.75Å; L707-W719 HydrophobicContact CD2-CH2 3.57Å; L707-W719 HydrophobicContact CD2-CZ3 3.7Å; L710-W719 HydrophobicContact CD1-CE3 3.82Å; L710-W719 HydrophobicContact CD1-CZ3 3.97Å; F717-W719 HydrophobicContact CE1-CB 4.44Å; F717-W719 AromaticContact CZ-CE3 3.99Å; F717-W719 HydrophobicContact CZ-CE3 3.99Å; W719-C723 HydrophobicContact CD2-CB 4.12Å; W719-C723 HydrophobicContact CE3-CB 4.14Å; W719-C723 HydrophobicContact CH2-CB 4.49Å; W719-C723 HydrophobicContact CZ2-CB 4.47Å; W719-C723 HydrophobicContact CZ3-CB 4.31Å; W719-F727 HydrophobicContact CH2-CB 3.98Å; W719-F727 HydrophobicContact CH2-CD2 4.36Å; W719-F727 HydrophobicContact CH2-CG 4.3Å; W719-F727 HydrophobicContact CZ2-CB 3.86Å; W719-F727 HydrophobicContact CZ2-CG 4.19Å
720S92.8Very high89.2Confident50 Ų5083.7 Ų83.735%0.3540%0.395SS..  trans-80.1166.4-179.272.80000113.2E718 E722 C723 A724E718-S720 PolarHBondContact O-N 3.44Å; E718-S720 VanDerWaalsContact O-N 3.17Å; S720-E722 VanDerWaalsContact C-N 3.26Å; S720-E722 PolarHBondContact O-N 2.74Å; S720-E722 PolarHBondContact OG-N 3.45Å; S720-C723 WeakPolarHBondContact O-CB 3.06Å; S720-C723 PolarHBondContact O-N 2.68Å; S720-C723 VanDerWaalsContact O-N 3.1Å; S720-C723 PolarHBondContact OG-N 3.22Å; S720-C723 PolarHBondContact OG-SG 3.41Å; S720-C723 VanDerWaalsContact OG-SG 3.33Å; S720-A724 PolarHBondContact O-N 2.97Å
721L92.9Very high89Confident147 Ų14786 Ų8677%0.7740%0.403SS*.Hα-helixtrans-56.2-39.7170-80156000111.9C723 A724 E725L721-C723 VanDerWaalsContact C-N 3.32Å; L721-C723 PolarHBondContact O-N 3.37Å; L721-A724 WeakPolarHBondContact O-CB 3.34Å; L721-A724 PolarHBondContact O-N 2.78Å; L721-E725 PolarHBondContact O-N 3.4Å
722E92.8Very high89.1Confident125 Ų12586.7 Ų86.758%0.58441%0.413SS*.Hα-helixtrans-62.3-38.1175.2-61.9-175.7177.100112.2P706 S720 A726P706-E722 HydrophobicContact CB-CB 4.09Å; P706-E722 HydrophobicContact CG-CB 4.15Å; S720-E722 VanDerWaalsContact C-N 3.26Å; S720-E722 PolarHBondContact O-N 2.74Å; S720-E722 PolarHBondContact OG-N 3.45Å; E722-A726 VanDerWaalsContact O-CB 3.25Å; E722-A726 WeakPolarHBondContact O-CB 3.39Å; E722-A726 PolarHBondContact O-N 3.45Å
723C93.4Very high89Confident3 Ų382.3 Ų82.32%0.0240%0.396CS..Hα-helixtrans-67.5-41174.8-66.90000111.7P706 L707 L710 W719 S720 L721 A726 F727P706-C723 PolarHBondContact O-SG 3.47Å; L707-C723 HydrophobicContact CD2-CB 4.01Å; L710-C723 HydrophobicContact CD1-CB 4.25Å; W719-C723 HydrophobicContact CD2-CB 4.12Å; W719-C723 HydrophobicContact CE3-CB 4.14Å; W719-C723 HydrophobicContact CH2-CB 4.49Å; W719-C723 HydrophobicContact CZ2-CB 4.47Å; W719-C723 HydrophobicContact CZ3-CB 4.31Å; S720-C723 WeakPolarHBondContact O-CB 3.06Å; S720-C723 PolarHBondContact O-N 2.68Å; S720-C723 VanDerWaalsContact O-N 3.1Å; S720-C723 PolarHBondContact OG-N 3.22Å; S720-C723 PolarHBondContact OG-SG 3.41Å; S720-C723 VanDerWaalsContact OG-SG 3.33Å; L721-C723 VanDerWaalsContact C-N 3.32Å; L721-C723 PolarHBondContact O-N 3.37Å; C723-A726 PolarHBondContact O-N 3.37Å; C723-F727 WeakPolarHBondContact O-CB 3.49Å; C723-F727 PolarHBondContact O-N 2.86Å
724A93.7Very high88.9Confident23 Ų2373 Ų7319%0.1936%0.356CS..Hα-helixtrans-61.8-48.6174.900000111.2S720 L721 A726 F727 H728S720-A724 PolarHBondContact O-N 2.97Å; L721-A724 WeakPolarHBondContact O-CB 3.34Å; L721-A724 PolarHBondContact O-N 2.78Å; A724-A726 PolarHBondContact O-N 3.38Å; A724-F727 PolarHBondContact O-N 3.2Å; A724-H728 PolarHBondContact O-CD2 3.42Å; A724-H728 PolarHBondContact O-N 3.45Å
725E94Very high89.1Confident104 Ų10463.2 Ų63.249%0.48632%0.323SS..Hα-helixtrans-60-44.2175.9-75.8-170.8-161.900112.5L721 F727 H728 K729L721-E725 PolarHBondContact O-N 3.4Å; E725-F727 VanDerWaalsContact C-N 3.34Å; E725-F727 PolarHBondContact O-N 2.98Å; E725-H728 PolarHBondContact O-N 2.9Å; E725-K729 VanDerWaalsContact O-CB 3.3Å; E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 VanDerWaalsContact O-CG 3.25Å; E725-K729 WeakPolarHBondContact O-CG 3.49Å; E725-K729 PolarHBondContact O-N 2.85Å; E725-K729 IonicContact OE2-NZ 3.33Å; E725-K729 PolarHBondContact OE2-NZ 3.02Å
726A93.7Very high88.8Confident4 Ų462.6 Ų62.63%0.03333%0.33CS..Hα-helixtrans-59.2-45.4176.600000111.7I703 P706 L707 E722 C723 A724 L730I703-A726 WeakPolarHBondContact O-CB 3.34Å; P706-A726 HydrophobicContact CB-CB 4.15Å; P706-A726 HydrophobicContact CG-CB 4Å; L707-A726 HydrophobicContact CD1-CB 4.3Å; L707-A726 HydrophobicContact CG-CB 3.97Å; E722-A726 VanDerWaalsContact O-CB 3.25Å; E722-A726 WeakPolarHBondContact O-CB 3.39Å; E722-A726 PolarHBondContact O-N 3.45Å; C723-A726 PolarHBondContact O-N 3.37Å; A724-A726 PolarHBondContact O-N 3.38Å; A726-L730 WeakPolarHBondContact O-CB 3.5Å; A726-L730 WeakPolarHBondContact O-CG 3.45Å; A726-L730 PolarHBondContact O-N 3.33Å
727F92.4Very high88Confident0 Ų062.4 Ų62.40%032%0.321CS..Hα-helixtrans-60.3-49.1175.8173.9-95.9000111.7Y674 V676 P677 F686 L707 W719 C723 A724 E725 L730 R731Y674-F727 HydrophobicContact CD1-CE2 4.11Å; Y674-F727 HydrophobicContact CD1-CZ 4.28Å; V676-F727 HydrophobicContact CG2-CD1 4.5Å; V676-F727 HydrophobicContact CG2-CE1 3.97Å; P677-F727 VanDerWaalsContact CD-CE2 3.42Å; P677-F727 HydrophobicContact CG-CD2 4.17Å; P677-F727 HydrophobicContact CG-CE2 4.04Å; F686-F727 HydrophobicContact CD1-CD2 4.12Å; F686-F727 AromaticContact CD2-CD2 3.8Å; F686-F727 HydrophobicContact CD2-CD2 3.8Å; F686-F727 AromaticContact CD2-CE2 3.45Å; F686-F727 HydrophobicContact CD2-CE2 3.45Å; F686-F727 VanDerWaalsContact CD2-CE2 3.45Å; F686-F727 AromaticContact CE1-CD2 3.76Å; F686-F727 HydrophobicContact CE1-CD2 3.76Å; F686-F727 HydrophobicContact CE1-CE2 4.4Å; F686-F727 AromaticContact CE2-CD2 3.33Å; F686-F727 HydrophobicContact CE2-CD2 3.33Å; F686-F727 AromaticContact CE2-CE2 3.14Å; F686-F727 HydrophobicContact CE2-CE2 3.14Å; F686-F727 HydrophobicContact CE2-CG 4.41Å; F686-F727 HydrophobicContact CE2-CZ 4.12Å; F686-F727 HydrophobicContact CG-CD2 4.14Å; F686-F727 HydrophobicContact CG-CE2 4.14Å; F686-F727 AromaticContact CZ-CD2 3.35Å; F686-F727 HydrophobicContact CZ-CD2 3.35Å; F686-F727 AromaticContact CZ-CE2 3.71Å; F686-F727 HydrophobicContact CZ-CE2 3.71Å; F686-F727 HydrophobicContact CZ-CG 4.17Å; L707-F727 HydrophobicContact CD1-CB 4.48Å; W719-F727 HydrophobicContact CH2-CB 3.98Å; W719-F727 HydrophobicContact CH2-CD2 4.36Å; W719-F727 HydrophobicContact CH2-CG 4.3Å; W719-F727 HydrophobicContact CZ2-CB 3.86Å; W719-F727 HydrophobicContact CZ2-CG 4.19Å; C723-F727 WeakPolarHBondContact O-CB 3.49Å; C723-F727 PolarHBondContact O-N 2.86Å; A724-F727 PolarHBondContact O-N 3.2Å; E725-F727 VanDerWaalsContact C-N 3.34Å; E725-F727 PolarHBondContact O-N 2.98Å; F727-L730 PolarHBondContact O-N 3.1Å; F727-R731 VanDerWaalsContact O-CB 3.28Å; F727-R731 WeakPolarHBondContact O-CB 3.41Å; F727-R731 PolarHBondContact O-N 2.94Å
728H92.1Very high87Confident100 Ų10060.3 Ų60.346%0.46332%0.315SS..Hα-helixtrans-65.9-40.8179.9-72.9-63.5000112.7A724 E725 R731 A732A724-H728 PolarHBondContact O-CD2 3.42Å; A724-H728 PolarHBondContact O-N 3.45Å; E725-H728 PolarHBondContact O-N 2.9Å; H728-R731 PolarHBondContact O-N 3.23Å; H728-A732 WeakPolarHBondContact O-CB 3.36Å; H728-A732 PolarHBondContact O-N 2.93Å
729K91.4Very high85.9Confident113 Ų11356.6 Ų56.649%0.49130%0.302SS..Hα-helixtrans-63.1-45.7176.2-75.5168.5-177.5158.40111.8I703 E725 A732 A733I703-K729 HydrophobicContact CG2-CB 3.54Å; I703-K729 HydrophobicContact CG2-CD 4.42Å; E725-K729 VanDerWaalsContact O-CB 3.3Å; E725-K729 WeakPolarHBondContact O-CB 3.38Å; E725-K729 VanDerWaalsContact O-CG 3.25Å; E725-K729 WeakPolarHBondContact O-CG 3.49Å; E725-K729 PolarHBondContact O-N 2.85Å; E725-K729 IonicContact OE2-NZ 3.33Å; E725-K729 PolarHBondContact OE2-NZ 3.02Å; K729-A732 PolarHBondContact O-N 3.14Å; K729-A733 WeakPolarHBondContact O-CB 3.37Å; K729-A733 PolarHBondContact O-N 3.36Å
730L89Confident85.4Confident0 Ų053.3 Ų53.30%029%0.289CS..Hα-helixtrans-64.8-40.5176.1-73.9175.8000112F686 I697 F700 I703 A704 L707 A726 F727 A733 L734F686-L730 HydrophobicContact CE1-CB 4.25Å; F686-L730 HydrophobicContact CE1-CD1 3.88Å; F686-L730 HydrophobicContact CZ-CB 4.06Å; I697-L730 HydrophobicContact CD1-CD2 4.25Å; I697-L730 HydrophobicContact CG2-CD2 4.2Å; F700-L730 HydrophobicContact CD2-CD2 3.51Å; F700-L730 HydrophobicContact CE2-CD1 4.32Å; F700-L730 HydrophobicContact CE2-CD2 3.68Å; F700-L730 HydrophobicContact CG-CD2 4.46Å; I703-L730 HydrophobicContact CB-CD2 4.02Å; I703-L730 HydrophobicContact CB-CG 4.32Å; I703-L730 HydrophobicContact CG2-CD2 3.87Å; I703-L730 HydrophobicContact CG2-CG 3.69Å; A704-L730 HydrophobicContact CB-CD1 3.98Å; L707-L730 HydrophobicContact CD1-CD1 3.97Å; A726-L730 WeakPolarHBondContact O-CB 3.5Å; A726-L730 WeakPolarHBondContact O-CG 3.45Å; A726-L730 PolarHBondContact O-N 3.33Å; F727-L730 PolarHBondContact O-N 3.1Å; L730-A733 PolarHBondContact O-N 2.93Å; L730-L734 WeakPolarHBondContact O-CG 3.16Å; L730-L734 PolarHBondContact O-N 3.49Å
731R86.7Confident85Confident57 Ų5753.4 Ų53.422%0.21528%0.284CS..Hα-helixtrans-63.3-45.4176.5-174.5172.8174.6-151.8-5.3111.8M671 R672 F727 H728 A733 L734 L735M671-R731 HydrophobicContact CE-CB 3.89Å; M671-R731 HydrophobicContact CE-CG 3.99Å; M671-R731 HydrophobicContact CG-CG 4.22Å; M671-R731 PolarHBondContact O-NE 3.37Å; R672-R731 PolarHBondContact O-NH2 3.23Å; F727-R731 VanDerWaalsContact O-CB 3.28Å; F727-R731 WeakPolarHBondContact O-CB 3.41Å; F727-R731 PolarHBondContact O-N 2.94Å; H728-R731 PolarHBondContact O-N 3.23Å; R731-A733 VanDerWaalsContact C-N 3.35Å; R731-A733 PolarHBondContact O-N 3.28Å; R731-L734 PolarHBondContact O-N 2.87Å; R731-L735 HydrophobicContact CG-CD1 4.16Å; R731-L735 VanDerWaalsContact O-CG 3.3Å; R731-L735 WeakPolarHBondContact O-CG 3.15Å; R731-L735 PolarHBondContact O-N 3.44Å; R731-L735 VanDerWaalsContact O-N 3.11Å
732A87.6Confident84.5Confident58 Ų5850 Ų5048%0.47927%0.266SS..Hα-helixtrans-60.8-43.1175.500000111.8H728 K729 L734 L735 S736H728-A732 WeakPolarHBondContact O-CB 3.36Å; H728-A732 PolarHBondContact O-N 2.93Å; K729-A732 PolarHBondContact O-N 3.14Å; A732-L734 VanDerWaalsContact C-N 3.33Å; A732-L734 PolarHBondContact O-N 3.42Å; A732-L735 CarbonylContact O-C 3.52Å; A732-L735 PolarHBondContact O-N 2.8Å; A732-L735 VanDerWaalsContact O-N 3.14Å; A732-S736 WeakPolarHBondContact O-CB 3.44Å; A732-S736 PolarHBondContact O-N 3.18Å
733A84.8Confident84.2Confident21 Ų2145.8 Ų45.817%0.17425%0.25CC..Hα-helixtrans-65.5-32.9178.500000113.5I697 K729 L730 R731 L735 S736I697-A733 HydrophobicContact CD1-CB 4.47Å; I697-A733 HydrophobicContact CG1-CB 4.04Å; I697-A733 HydrophobicContact CG2-CB 3.92Å; K729-A733 WeakPolarHBondContact O-CB 3.37Å; K729-A733 PolarHBondContact O-N 3.36Å; L730-A733 PolarHBondContact O-N 2.93Å; R731-A733 VanDerWaalsContact C-N 3.35Å; R731-A733 PolarHBondContact O-N 3.28Å; A733-L735 VanDerWaalsContact C-N 3.34Å; A733-S736 PolarHBondContact O-OG 3.33Å
734L78.1Confident83.8Confident10 Ų1049 Ų495%0.05227%0.267CS..Hα-helixtrans-73.1-28173.7-73.1167000112.7M671 A690 Y693 I697 L730 R731 A732M671-L734 HydrophobicContact CE-CD1 3.38Å; M671-L734 HydrophobicContact CG-CB 4.19Å; M671-L734 HydrophobicContact CG-CD1 4.2Å; M671-L734 HydrophobicContact SD-CD1 4.07Å; A690-L734 HydrophobicContact CB-CD1 4.02Å; Y693-L734 HydrophobicContact CD2-CD2 4.09Å; Y693-L734 HydrophobicContact CG-CD2 3.84Å; I697-L734 HydrophobicContact CD1-CD2 3.78Å; I697-L734 HydrophobicContact CD1-CG 3.88Å; I697-L734 HydrophobicContact CG1-CD2 4.49Å; L730-L734 WeakPolarHBondContact O-CG 3.16Å; L730-L734 PolarHBondContact O-N 3.49Å; R731-L734 PolarHBondContact O-N 2.87Å; A732-L734 VanDerWaalsContact C-N 3.33Å; A732-L734 PolarHBondContact O-N 3.42Å
735L81.4Confident83.5Confident51 Ų5153.7 Ų53.727%0.26728%0.283SS..Hα-helixtrans-87.5-15.3178-68.6174.7000113.2T668 M671 R672 R731 A732 A733 H737T668-L735 WeakPolarHBondContact O-CD2 3.45Å; M671-L735 HydrophobicContact CB-CD2 4.49Å; R672-L735 HydrophobicContact CB-CD2 4.25Å; R731-L735 HydrophobicContact CG-CD1 4.16Å; R731-L735 VanDerWaalsContact O-CG 3.3Å; R731-L735 WeakPolarHBondContact O-CG 3.15Å; R731-L735 PolarHBondContact O-N 3.44Å; R731-L735 VanDerWaalsContact O-N 3.11Å; A732-L735 CarbonylContact O-C 3.52Å; A732-L735 PolarHBondContact O-N 2.8Å; A732-L735 VanDerWaalsContact O-N 3.14Å; A733-L735 VanDerWaalsContact C-N 3.34Å; L735-H737 PolarHBondContact O-CE1 3Å; L735-H737 PolarHBondContact O-N 3.02Å; L735-H737 PolarHBondContact O-ND1 3.38Å
736S74.5Confident83Confident80 Ų8053.3 Ų53.356%0.55929%0.292SS*.SBendtrans-79.710.9-176.565.80000114.4A732 A733 P738A732-S736 WeakPolarHBondContact O-CB 3.44Å; A732-S736 PolarHBondContact O-N 3.18Å; A733-S736 PolarHBondContact O-OG 3.33Å; S736-P738 VanDerWaalsContact C-CD 3.49Å; S736-P738 VanDerWaalsContact O-N 3.16Å
737H65.6Low82.6Confident83 Ų8354.7 Ų54.738%0.38430%0.3SS..  trans35.857.9177.5-60.481.3000114.1L735 V739L735-H737 PolarHBondContact O-CE1 3Å; L735-H737 PolarHBondContact O-N 3.02Å; L735-H737 PolarHBondContact O-ND1 3.38Å; H737-V739 PolarHBondContact O-N 3.03Å; H737-V739 VanDerWaalsContact O-N 3.1Å
738P68.7Low82.5Confident29 Ų2958.5 Ų58.519%0.18833%0.325CS..  trans-67.2115.717629.5-34.1000109F696 S736 L740F696-P738 HydrophobicContact CB-CG 3.75Å; F696-P738 HydrophobicContact CD1-CG 4.23Å; F696-P738 WeakPolarHBondContact CD1-O 3.1Å; F696-P738 HydrophobicContact CG-CG 4.43Å; F696-P738 VanDerWaalsContact O-CG 3.3Å; F696-P738 WeakPolarHBondContact O-CG 3.29Å; S736-P738 VanDerWaalsContact C-CD 3.49Å; S736-P738 VanDerWaalsContact O-N 3.16Å; P738-L740 PolarHBondContact O-N 3.03Å
739V66.1Low82.5Confident58 Ų5853.8 Ų53.835%0.35230%0.303SS..  trans-79.6115.2174.7-170.10000108R659 E662 H737R659-V739 HydrophobicContact CB-CG1 4.15Å; R659-V739 VanDerWaalsContact O-CG1 3.31Å; R659-V739 WeakPolarHBondContact O-CG1 3.29Å; E662-V739 HydrophobicContact CG-CB 4.16Å; E662-V739 HydrophobicContact CG-CG1 3.98Å; E662-V739 HydrophobicContact CG-CG2 3.86Å; E662-V739 VanDerWaalsContact OE1-CG2 3.27Å; E662-V739 WeakPolarHBondContact OE1-CG2 3.5Å; H737-V739 PolarHBondContact O-N 3.03Å; H737-V739 VanDerWaalsContact O-N 3.1Å
740L81.2Confident82.6Confident3 Ų348.7 Ų48.72%0.01628%0.281CS..BIsolated β-bridgetrans-86.9132.1171.9-65.8176.2000109G660 I661 K695 F696 P738 P775 F778G660-L740 CarbonylContact C-O 3.51Å; G660-L740 WeakPolarHBondContact CA-O 3.3Å; I661-L740 PolarHBondContact N-O 3.24Å; I661-L740 PolarHBondContact O-N 3.1Å; K695-L740 HydrophobicContact CD-CD1 4.38Å; K695-L740 HydrophobicContact CG-CD1 4.13Å; K695-L740 WeakPolarHBondContact O-CD1 3.41Å; F696-L740 HydrophobicContact CD1-CD1 3.45Å; F696-L740 VanDerWaalsContact CD1-CD1 3.45Å; F696-L740 HydrophobicContact CD1-CG 3.63Å; F696-L740 HydrophobicContact CE1-CB 4.31Å; F696-L740 HydrophobicContact CE1-CD1 3.41Å; F696-L740 VanDerWaalsContact CE1-CD1 3.41Å; F696-L740 HydrophobicContact CE1-CG 3.69Å; F696-L740 HydrophobicContact CG-CD1 4.19Å; F696-L740 HydrophobicContact CZ-CD1 4.14Å; P738-L740 PolarHBondContact O-N 3.03Å; L740-P775 CarbonylContact C-O 3.55Å; L740-P775 VanDerWaalsContact CA-O 3.27Å; L740-P775 WeakPolarHBondContact CA-O 3.25Å; L740-P775 HydrophobicContact CD2-CB 4.03Å; L740-P775 HydrophobicContact CD2-CG 4.24Å; L740-F778 HydrophobicContact CD2-CD2 3.98Å; L740-F778 HydrophobicContact CD2-CE2 3.81Å
741Q83.8Confident82.7Confident52 Ų5248.7 Ų48.724%0.24328%0.281CS..PPolyproline II helixtrans-64.5142.6177.3-163.3-175.45.500110.5H774 P775Q741-H774 HydrophobicContact CB-CB 3.97Å; Q741-H774 HydrophobicContact CG-CB 4.41Å; Q741-H774 VanDerWaalsContact OE1-CB 3.26Å; Q741-P775 PolarHBondContact N-O 2.8Å
742L83.6Confident82.8Confident75 Ų7547.5 Ų47.539%0.39328%0.279SS..PPolyproline II helixtrans-63.2133.4166.3-74.6168.3000109.1V656 I661 D744V656-L742 HydrophobicContact CG1-CD2 4.24Å; I661-L742 HydrophobicContact CD1-CD2 3.85Å; I661-L742 HydrophobicContact CG1-CD2 3.63Å; I661-L742 HydrophobicContact CG1-CG 4.4Å; L742-D744 PolarHBondContact O-N 3.24Å
743P85.7Confident82.8Confident37 Ų3745 Ų4524%0.2426%0.258CS..PPolyproline II helixtrans-65.7125.7-179.127.8-35.3000110.5F745 F749 V776 Y810P743-F745 HydrophobicContact CB-CE2 4.23Å; P743-F745 HydrophobicContact CB-CZ 4.37Å; P743-F745 HydrophobicContact CG-CE2 4.11Å; P743-F745 HydrophobicContact CG-CZ 4.38Å; P743-F749 HydrophobicContact CB-CE1 4.15Å; P743-F749 HydrophobicContact CB-CZ 3.97Å; P743-V776 HydrophobicContact CB-CG1 4.05Å; P743-Y810 HydrophobicContact CB-CD1 4.15Å; P743-Y810 HydrophobicContact CB-CE1 4.02Å; P743-Y810 HydrophobicContact CG-CE1 4.04Å
744D85.5Confident82.6Confident72 Ų7247.5 Ų47.539%0.38527%0.268SS..  trans-99.6102.1170.6-175.2-14.3000109.5L742 S746 V747 Q766L742-D744 PolarHBondContact O-N 3.24Å; D744-S746 VanDerWaalsContact CG-OG 3.24Å; D744-S746 PolarHBondContact O-N 3.33Å; D744-S746 VanDerWaalsContact OD1-CB 3.31Å; D744-S746 WeakPolarHBondContact OD1-CB 3.37Å; D744-S746 PolarHBondContact OD1-N 3.25Å; D744-S746 PolarHBondContact OD1-OG 3.22Å; D744-S746 PolarHBondContact OD2-OG 3.38Å; D744-V747 HydrophobicContact CB-CB 4.5Å; D744-V747 HydrophobicContact CB-CG2 4.3Å; D744-V747 PolarHBondContact O-N 3.15Å; D744-Q766 PolarHBondContact O-NE2 3.32Å
745F86.7Confident82.8Confident120 Ų12047.6 Ų47.653%0.52627%0.27SS..THydrogen-bonded Turntrans-67.7-3.3-177.8-65.4-87.3000114.1P743 F749 Y810 Q813P743-F745 HydrophobicContact CB-CE2 4.23Å; P743-F745 HydrophobicContact CB-CZ 4.37Å; P743-F745 HydrophobicContact CG-CE2 4.11Å; P743-F745 HydrophobicContact CG-CZ 4.38Å; F745-F749 HydrophobicContact CD1-CE2 4.23Å; F745-F749 HydrophobicContact CD1-CZ 4.42Å; F745-F749 HydrophobicContact CE1-CE2 4.46Å; F745-F749 HydrophobicContact CE1-CZ 4.47Å; F745-Y810 HydrophobicContact CE1-CD1 4.41Å; F745-Y810 HydrophobicContact CZ-CD1 4.4Å; F745-Q813 PolarHBondContact O-OE1 3Å; F745-Q813 VanDerWaalsContact O-OE1 3.11Å
746S84.2Confident82.7Confident96 Ų9647.5 Ų47.567%0.67127%0.274SS*.THydrogen-bonded Turntrans-86-17.517174.90000113.6D744D744-S746 VanDerWaalsContact CG-OG 3.24Å; D744-S746 PolarHBondContact O-N 3.33Å; D744-S746 VanDerWaalsContact OD1-CB 3.31Å; D744-S746 WeakPolarHBondContact OD1-CB 3.37Å; D744-S746 PolarHBondContact OD1-N 3.25Å; D744-S746 PolarHBondContact OD1-OG 3.22Å; D744-S746 PolarHBondContact OD2-OG 3.38Å
747V85.8Confident82.8Confident34 Ų3448.7 Ų48.721%0.20627%0.274CS..SBendtrans-103.5134.6-179.1-179.60000110.1D744 F749 Q766 Q813D744-V747 HydrophobicContact CB-CB 4.5Å; D744-V747 HydrophobicContact CB-CG2 4.3Å; D744-V747 PolarHBondContact O-N 3.15Å; V747-F749 PolarHBondContact O-N 3.36Å; V747-Q766 HydrophobicContact CG1-CB 4.45Å; V747-Q766 PolarHBondContact O-NE2 2.83Å; V747-Q813 PolarHBondContact O-NE2 3.21Å
748P89.7Confident83.2Confident80 Ų8046.6 Ų46.652%0.51927%0.267SS..PPolyproline II helixtrans-58.8138.4176.8-25.134.4000112.9
749F93.4Very high83.5Confident0 Ų045.5 Ų45.50%026%0.26CS..EExtended strand (participates in β ladder)trans-78.5151.7174.2-71.2-75.7000112P743 F745 V747 L764 Q766 V776 Y810 L811 Q813 F815 K816P743-F749 HydrophobicContact CB-CE1 4.15Å; P743-F749 HydrophobicContact CB-CZ 3.97Å; F745-F749 HydrophobicContact CD1-CE2 4.23Å; F745-F749 HydrophobicContact CD1-CZ 4.42Å; F745-F749 HydrophobicContact CE1-CE2 4.46Å; F745-F749 HydrophobicContact CE1-CZ 4.47Å; V747-F749 PolarHBondContact O-N 3.36Å; F749-L764 HydrophobicContact CB-CD1 3.97Å; F749-L764 HydrophobicContact CD1-CD1 4.03Å; F749-L764 HydrophobicContact CD1-CD2 4.25Å; F749-L764 HydrophobicContact CD1-CG 4.08Å; F749-L764 HydrophobicContact CE1-CD2 4.46Å; F749-L764 HydrophobicContact CG-CD1 4.21Å; F749-Q766 HydrophobicContact CD1-CG 3.47Å; F749-Q766 VanDerWaalsContact CD1-CG 3.47Å; F749-Q766 HydrophobicContact CE1-CG 3.69Å; F749-Q766 HydrophobicContact CG-CG 4.32Å; F749-V776 HydrophobicContact CE1-CG1 4.42Å; F749-V776 HydrophobicContact CE1-CG2 4.24Å; F749-Y810 WeakPolarHBondContact CD2-O 3.11Å; F749-Y810 HydrophobicContact CE1-CD1 4.25Å; F749-Y810 WeakPolarHBondContact CE2-O 3.38Å; F749-Y810 AromaticContact CZ-CD1 3.94Å; F749-Y810 HydrophobicContact CZ-CD1 3.94Å; F749-Y810 HydrophobicContact CZ-CG 4.43Å; F749-L811 HydrophobicContact CB-CD2 3.84Å; F749-L811 HydrophobicContact CG-CD2 4.42Å; F749-Q813 HydrophobicContact CD2-CG 4.08Å; F749-Q813 HydrophobicContact CE2-CG 4.4Å; F749-F815 HydrophobicContact CB-CB 4.13Å; F749-F815 WeakPolarHBondContact O-CA 3.45Å; F749-F815 VanDerWaalsContact O-CB 3.28Å; F749-F815 WeakPolarHBondContact O-CB 3.25Å; F749-K816 PolarHBondContact O-N 3.45Å
750I92.3Very high84.4Confident7 Ų742.8 Ų42.84%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-116.9124.7171-54.9173.2000107.4L764 S765 T767 E773 K816 R818I750-L764 CarbonylContact O-C 3.44Å; I750-L764 WeakPolarHBondContact O-CA 3.45Å; I750-S765 PolarHBondContact N-O 3.15Å; I750-S765 PolarHBondContact O-N 2.88Å; I750-T767 HydrophobicContact CD1-CG2 3.91Å; I750-E773 HydrophobicContact CD1-CG 4.26Å; I750-K816 CarbonylContact C-O 3.58Å; I750-K816 WeakPolarHBondContact CA-O 3.03Å; I750-K816 HydrophobicContact CG1-CB 4.35Å; I750-K816 HydrophobicContact CG1-CD 4.25Å; I750-K816 HydrophobicContact CG2-CD 4.42Å; I750-R818 HydrophobicContact CG2-CG 4.43Å
751L91.9Very high84.2Confident0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-112.3105.9174.9179.465.1000108.7T753 A762 V763 F803 V804 F807 L811 F815 K816 L817 R818L751-T753 HydrophobicContact CD1-CG2 4.38Å; L751-T753 HydrophobicContact CD2-CG2 4.07Å; L751-T753 HydrophobicContact CG-CG2 3.89Å; L751-A762 HydrophobicContact CD1-CB 3.94Å; L751-V763 WeakPolarHBondContact CA-O 3.41Å; L751-F803 HydrophobicContact CD1-CB 4.41Å; L751-V804 HydrophobicContact CD2-CG2 3.61Å; L751-F807 HydrophobicContact CD1-CD2 3.7Å; L751-F807 HydrophobicContact CD1-CE2 3.95Å; L751-L811 HydrophobicContact CD2-CD1 3.81Å; L751-F815 HydrophobicContact CB-CD2 4.3Å; L751-F815 HydrophobicContact CB-CE2 4.36Å; L751-F815 HydrophobicContact CD2-CE2 4.34Å; L751-K816 PolarHBondContact N-O 3.44Å; L751-L817 HydrophobicContact CB-CD1 4.27Å; L751-L817 HydrophobicContact CD2-CD1 3.84Å; L751-L817 HydrophobicContact CG-CD1 4.04Å; L751-L817 CarbonylContact O-C 3.57Å; L751-L817 WeakPolarHBondContact O-CA 3.31Å; L751-R818 PolarHBondContact O-N 2.98Å
752D87.6Confident84.3Confident31 Ų3140.6 Ų40.617%0.16624%0.236CC..EExtended strand (participates in β ladder)trans-86.4128.9167.9-67.1-66.8000109.1A762 V763 R818 R854D752-A762 CarbonylContact O-C 3.38Å; D752-A762 WeakPolarHBondContact O-CA 3.27Å; D752-A762 WeakPolarHBondContact O-CB 3.31Å; D752-V763 HydrophobicContact CB-CB 4.3Å; D752-V763 PolarHBondContact N-O 2.9Å; D752-V763 PolarHBondContact O-N 2.89Å; D752-R818 CarbonylContact C-O 3.5Å; D752-R818 WeakPolarHBondContact CA-O 3.32Å; D752-R818 WeakPolarHBondContact OD1-CB 3.43Å; D752-R818 WeakPolarHBondContact OD1-CD 3.23Å; D752-R854 IonicContact OD1-NH1 2.81Å
753T87.4Confident84.4Confident6 Ų638.2 Ų38.24%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-125.3142.4175.263.10000111.6L751 A762 V800 F803 L817 R818L751-T753 HydrophobicContact CD1-CG2 4.38Å; L751-T753 HydrophobicContact CD2-CG2 4.07Å; L751-T753 HydrophobicContact CG-CG2 3.89Å; T753-A762 HydrophobicContact CG2-CB 4.21Å; T753-V800 HydrophobicContact CG2-CG2 4.44Å; T753-F803 HydrophobicContact CG2-CD2 4.39Å; T753-L817 HydrophobicContact CG2-CD1 3.92Å; T753-R818 PolarHBondContact N-O 3.18Å
754D81.9Confident84.6Confident74 Ų7436.4 Ų36.440%0.39621%0.212SC..EExtended strand (participates in β ladder)trans-142.4143.5-178.317718.3000110.1I760 G761D754-I760 WeakPolarHBondContact O-CA 3.3Å; D754-G761 PolarHBondContact N-O 2.8Å; D754-G761 PolarHBondContact O-N 3.11Å
755A82.7Confident84.8Confident11 Ų1133.2 Ų33.29%0.09120%0.195CC..EExtended strand (participates in β ladder)trans-128.4118.6176.600000113.7I760 R795 E796 A799A755-I760 HydrophobicContact CB-CG2 3.68Å; A755-R795 VanDerWaalsContact CB-C 3.48Å; A755-R795 HydrophobicContact CB-CB 3.87Å; A755-E796 HydrophobicContact CB-CG 4.18Å; A755-E796 WeakPolarHBondContact CB-OE1 3.4Å; A755-E796 PolarHBondContact N-OE1 3.22Å; A755-E796 PolarHBondContact N-OE2 2.88Å; A755-A799 HydrophobicContact CB-CB 4.35Å
756S78.6Confident85Confident49 Ų4927.5 Ų27.534%0.34317%0.171SC..  trans-91.6176.3168.573.60000112.3T758 A759 L783S756-T758 PolarHBondContact O-N 3.28Å; S756-T758 VanDerWaalsContact O-N 3.12Å; S756-T758 PolarHBondContact OG-N 2.86Å; S756-A759 PolarHBondContact N-O 3.05Å; S756-A759 PolarHBondContact OG-N 2.9Å; S756-A759 PolarHBondContact OG-O 2.86Å; S756-L783 WeakPolarHBondContact O-CD1 3.44Å
757D76.7Confident85.2Confident106 Ų10625.3 Ų25.357%0.56715%0.153SC*.SBendtrans-62.2-16.1172.1-73.6-44.1000114.3R795D757-R795 IonicContact OD1-CZ 3.03Å; D757-R795 IonicContact OD1-NH1 3.32Å; D757-R795 PolarHBondContact OD1-NH1 3.3Å; D757-R795 IonicContact OD1-NH2 3.9Å; D757-R795 PolarHBondContact OD1-NH2 3.03Å
758T73.3Confident85Confident39 Ų3925 Ų2524%0.23915%0.151CC..SBendtrans-125.7-25.5-16868.60000114.3S756 L783S756-T758 PolarHBondContact O-N 3.28Å; S756-T758 VanDerWaalsContact O-N 3.12Å; S756-T758 PolarHBondContact OG-N 2.86Å; T758-L783 PolarHBondContact O-N 2.77Å
759A76.2Confident84.6Confident5 Ų528.6 Ų28.64%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-153.6157.3-177.300000110.9A701 A702 S756 R781A701-A759 HydrophobicContact CB-CB 4.35Å; A702-A759 HydrophobicContact CB-CB 4.16Å; S756-A759 PolarHBondContact N-O 3.05Å; S756-A759 PolarHBondContact OG-N 2.9Å; S756-A759 PolarHBondContact OG-O 2.86Å; A759-R781 CarbonylContact C-O 3.46Å; A759-R781 VanDerWaalsContact CA-O 3.3Å; A759-R781 WeakPolarHBondContact CA-O 3.46Å; A759-R781 WeakPolarHBondContact CB-O 3.39Å
760I84.3Confident84Confident2 Ų234.8 Ų34.81%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-111147.9170.351.1165.4000109.1D754 A755 S780 R781 L783 L798 A799 T802 F803D754-I760 WeakPolarHBondContact O-CA 3.3Å; A755-I760 HydrophobicContact CB-CG2 3.68Å; I760-S780 CarbonylContact O-C 3.44Å; I760-S780 VanDerWaalsContact O-CA 3.23Å; I760-S780 WeakPolarHBondContact O-CA 3.18Å; I760-S780 WeakPolarHBondContact O-CB 3.27Å; I760-R781 HydrophobicContact CD1-CB 4.29Å; I760-R781 HydrophobicContact CG1-CB 4Å; I760-R781 WeakPolarHBondContact CG1-O 3.35Å; I760-R781 PolarHBondContact N-O 3.07Å; I760-R781 PolarHBondContact O-N 3.36Å; I760-L783 HydrophobicContact CG1-CD2 4.39Å; I760-L783 HydrophobicContact CG2-CD2 3.87Å; I760-L783 HydrophobicContact CG2-CG 4.44Å; I760-L798 HydrophobicContact CD1-CG 4.38Å; I760-A799 HydrophobicContact CB-CB 3.8Å; I760-A799 HydrophobicContact CD1-CB 4.47Å; I760-A799 HydrophobicContact CG2-CB 3.77Å; I760-T802 HydrophobicContact CD1-CG2 3.95Å; I760-T802 WeakPolarHBondContact CD1-OG1 3.15Å; I760-F803 HydrophobicContact CB-CE2 3.91Å; I760-F803 HydrophobicContact CB-CZ 4.28Å; I760-F803 HydrophobicContact CD1-CE2 3.9Å; I760-F803 HydrophobicContact CD1-CZ 3.99Å; I760-F803 HydrophobicContact CG1-CE2 3.94Å; I760-F803 HydrophobicContact CG1-CZ 3.89Å; I760-F803 WeakPolarHBondContact O-CZ 3.46Å
761G77.7Confident83.3Confident4 Ų437 Ų374%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-135.4157-179.800000112.4D754 A779 F803D754-G761 PolarHBondContact N-O 2.8Å; D754-G761 PolarHBondContact O-N 3.11Å; G761-A779 CarbonylContact C-O 3.54Å; G761-A779 WeakPolarHBondContact CA-O 3.23Å; G761-F803 VanDerWaalsContact O-CE2 3.29Å; G761-F803 WeakPolarHBondContact O-CE2 3.44Å
762A85.8Confident82.8Confident5 Ų543.6 Ų43.64%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-146.5153.8169.600000113L751 D752 T753 A779 F803 F807L751-A762 HydrophobicContact CD1-CB 3.94Å; D752-A762 CarbonylContact O-C 3.38Å; D752-A762 WeakPolarHBondContact O-CA 3.27Å; D752-A762 WeakPolarHBondContact O-CB 3.31Å; T753-A762 HydrophobicContact CG2-CB 4.21Å; A762-A779 HydrophobicContact CB-CB 4.49Å; A762-A779 PolarHBondContact N-O 3.49Å; A762-A779 PolarHBondContact O-N 2.9Å; A762-F803 HydrophobicContact CB-CB 3.59Å; A762-F803 HydrophobicContact CB-CD1 3.92Å; A762-F803 HydrophobicContact CB-CD2 3.29Å; A762-F803 HydrophobicContact CB-CE1 4.46Å; A762-F803 HydrophobicContact CB-CE2 3.9Å; A762-F803 HydrophobicContact CB-CG 3.31Å; A762-F803 HydrophobicContact CB-CZ 4.45Å; A762-F807 HydrophobicContact CB-CE2 4.11Å
763V85.7Confident82.5Confident24 Ų2445.7 Ų45.715%0.14526%0.257CS..EExtended strand (participates in β ladder)trans-124.6123.1169.9-169.60000107.7L751 D752 P775 F778L751-V763 WeakPolarHBondContact CA-O 3.41Å; D752-V763 HydrophobicContact CB-CB 4.3Å; D752-V763 PolarHBondContact N-O 2.9Å; D752-V763 PolarHBondContact O-N 2.89Å; V763-P775 HydrophobicContact CG1-CB 4.19Å; V763-F778 HydrophobicContact CB-CD1 4.23Å; V763-F778 HydrophobicContact CB-CE1 4.29Å; V763-F778 HydrophobicContact CG1-CD1 3.84Å; V763-F778 HydrophobicContact CG1-CE1 3.56Å; V763-F778 HydrophobicContact CG1-CZ 4.48Å; V763-F778 HydrophobicContact CG2-CD1 3.8Å; V763-F778 HydrophobicContact CG2-CE1 3.88Å
764L89Confident82.3Confident0 Ų048.2 Ų48.20%027%0.269CS..EExtended strand (participates in β ladder)trans-95.2125.2167.4-175.171.7000107.6F749 I750 P775 V776 A777 F807 Y810 L811F749-L764 HydrophobicContact CB-CD1 3.97Å; F749-L764 HydrophobicContact CD1-CD1 4.03Å; F749-L764 HydrophobicContact CD1-CD2 4.25Å; F749-L764 HydrophobicContact CD1-CG 4.08Å; F749-L764 HydrophobicContact CE1-CD2 4.46Å; F749-L764 HydrophobicContact CG-CD1 4.21Å; I750-L764 CarbonylContact O-C 3.44Å; I750-L764 WeakPolarHBondContact O-CA 3.45Å; L764-P775 CarbonylContact O-C 3.56Å; L764-V776 HydrophobicContact CD2-CB 4.26Å; L764-V776 HydrophobicContact CD2-CG1 4.11Å; L764-V776 HydrophobicContact CG-CB 4.29Å; L764-V776 PolarHBondContact O-N 3.18Å; L764-A777 HydrophobicContact CB-CB 4.39Å; L764-A777 PolarHBondContact N-O 3.48Å; L764-A777 PolarHBondContact O-N 3.12Å; L764-A777 VanDerWaalsContact O-N 3.15Å; L764-F807 HydrophobicContact CB-CD2 4.3Å; L764-F807 HydrophobicContact CB-CE1 4.43Å; L764-F807 HydrophobicContact CB-CE2 4.12Å; L764-F807 HydrophobicContact CB-CZ 4.17Å; L764-F807 HydrophobicContact CD2-CB 4.42Å; L764-F807 HydrophobicContact CD2-CD1 4.09Å; L764-F807 HydrophobicContact CD2-CG 4.21Å; L764-Y810 HydrophobicContact CD2-CD1 4.24Å; L764-Y810 HydrophobicContact CD2-CD2 3.59Å; L764-Y810 HydrophobicContact CD2-CE2 4.23Å; L764-Y810 HydrophobicContact CD2-CG 3.59Å; L764-L811 HydrophobicContact CD1-CD2 3.68Å; L764-L811 HydrophobicContact CD1-CG 4.4Å
765S90.7Very high82.3Confident4 Ų446.4 Ų46.43%0.02826%0.261CS..EExtended strand (participates in β ladder)trans-139.3165.3-177.5550000112.4I750 H774I750-S765 PolarHBondContact N-O 3.15Å; I750-S765 PolarHBondContact O-N 2.88Å; S765-H774 CarbonylContact C-O 3.47Å; S765-H774 WeakPolarHBondContact CA-O 3.1Å; S765-H774 WeakPolarHBondContact CB-O 3.27Å
766Q89.5Confident82.5Confident1 Ų146.3 Ų46.31%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-135.3153.4171.3-68-175.4-7200109.8D744 V747 F749 E773 H774 V776D744-Q766 PolarHBondContact O-NE2 3.32Å; V747-Q766 HydrophobicContact CG1-CB 4.45Å; V747-Q766 PolarHBondContact O-NE2 2.83Å; F749-Q766 HydrophobicContact CD1-CG 3.47Å; F749-Q766 VanDerWaalsContact CD1-CG 3.47Å; F749-Q766 HydrophobicContact CE1-CG 3.69Å; F749-Q766 HydrophobicContact CG-CG 4.32Å; Q766-E773 WeakPolarHBondContact O-CA 3.46Å; Q766-H774 PolarHBondContact N-O 3.21Å; Q766-H774 PolarHBondContact O-N 3.3Å; Q766-V776 HydrophobicContact CB-CG2 4.42Å; Q766-V776 HydrophobicContact CG-CG2 3.94Å
767T88.9Confident82.8Confident49 Ų4944.3 Ų44.330%0.30125%0.246SC..EExtended strand (participates in β ladder)trans-89.9131.7173.547.50000110.1I750 R772 E773I750-T767 HydrophobicContact CD1-CG2 3.91Å; T767-R772 CarbonylContact C-O 3.45Å; T767-R772 VanDerWaalsContact CA-O 3.3Å; T767-R772 WeakPolarHBondContact CA-O 3.3Å; T767-E773 HydrophobicContact CG2-CG 3.77Å
768D82.6Confident83.1Confident29 Ų2940.6 Ų40.616%0.15523%0.225CC..  trans-72.1177.6169.36913.3000112Q770 G771 R772 H774D768-Q770 PolarHBondContact O-N 2.79Å; D768-Q770 VanDerWaalsContact O-N 3.09Å; D768-Q770 VanDerWaalsContact OD1-C 3.3Å; D768-Q770 VanDerWaalsContact OD1-CA 3.3Å; D768-Q770 WeakPolarHBondContact OD1-CA 3.4Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.36Å; D768-Q770 PolarHBondContact OD1-N 3.25Å; D768-G771 PolarHBondContact O-N 2.96Å; D768-G771 PolarHBondContact OD1-N 2.77Å; D768-R772 PolarHBondContact N-O 2.66Å; D768-R772 PolarHBondContact OD1-N 3.03Å; D768-R772 IonicContact OD1-NE 3.38Å; D768-R772 IonicContact OD2-CZ 2.64Å; D768-R772 VanDerWaalsContact OD2-CZ 3.25Å; D768-R772 IonicContact OD2-NE 3.06Å; D768-R772 PolarHBondContact OD2-NE 2.96Å; D768-R772 IonicContact OD2-NH2 2.71Å; D768-R772 PolarHBondContact OD2-NH2 3.43Å; D768-H774 IonicContact OD2-CD2 3.79Å; D768-H774 IonicContact OD2-CE1 2.77Å; D768-H774 IonicContact OD2-NE2 3.83Å; D768-H774 PolarHBondContact OD2-NE2 2.77Å
769V81.4Confident83.5Confident154 Ų15438.8 Ų38.893%0.93321%0.214SC*.THydrogen-bonded Turntrans-60.1-16.5176.6-630000113.9
770Q79.8Confident83.8Confident131 Ų13139 Ų3961%0.61222%0.215SC*.THydrogen-bonded Turntrans-96.41.8176.7-60.1176-5.100112.1D768 R772D768-Q770 PolarHBondContact O-N 2.79Å; D768-Q770 VanDerWaalsContact O-N 3.09Å; D768-Q770 VanDerWaalsContact OD1-C 3.3Å; D768-Q770 VanDerWaalsContact OD1-CA 3.3Å; D768-Q770 WeakPolarHBondContact OD1-CA 3.4Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.36Å; D768-Q770 PolarHBondContact OD1-N 3.25Å; Q770-R772 VanDerWaalsContact C-N 3.33Å; Q770-R772 HydrophobicContact CB-CG 4.4Å
771G77.8Confident83.8Confident53 Ų5342.1 Ų42.155%0.54623%0.227SC..SBendtrans78.410.3-178.100000114.7D768D768-G771 PolarHBondContact O-N 2.96Å; D768-G771 PolarHBondContact OD1-N 2.77Å
772R80.4Confident84Confident138 Ų13844.4 Ų44.452%0.52124%0.239SC..  trans-82.8134.5177-56.6177.3-60.9-172.5-0109.9T767 D768 Q770 H774T767-R772 CarbonylContact C-O 3.45Å; T767-R772 VanDerWaalsContact CA-O 3.3Å; T767-R772 WeakPolarHBondContact CA-O 3.3Å; D768-R772 PolarHBondContact N-O 2.66Å; D768-R772 PolarHBondContact OD1-N 3.03Å; D768-R772 IonicContact OD1-NE 3.38Å; D768-R772 IonicContact OD2-CZ 2.64Å; D768-R772 VanDerWaalsContact OD2-CZ 3.25Å; D768-R772 IonicContact OD2-NE 3.06Å; D768-R772 PolarHBondContact OD2-NE 2.96Å; D768-R772 IonicContact OD2-NH2 2.71Å; D768-R772 PolarHBondContact OD2-NH2 3.43Å; Q770-R772 VanDerWaalsContact C-N 3.33Å; Q770-R772 HydrophobicContact CB-CG 4.4Å; R772-H774 PolarHBondContact O-CD2 2.81Å; R772-H774 VanDerWaalsContact O-CD2 3.28Å
773E83.2Confident83.8Confident75 Ų7544.3 Ų44.335%0.3524%0.238SC..EExtended strand (participates in β ladder)trans-84.6124.6180-67.3178.8-177.200111.3I750 Q766 T767 R818 R854I750-E773 HydrophobicContact CD1-CG 4.26Å; Q766-E773 WeakPolarHBondContact O-CA 3.46Å; T767-E773 HydrophobicContact CG2-CG 3.77Å; E773-R818 IonicContact OE1-CZ 3.96Å; E773-R818 IonicContact OE1-NH1 3.14Å; E773-R818 PolarHBondContact OE1-NH1 3.21Å; E773-R818 IonicContact OE1-NH2 3.67Å; E773-R818 PolarHBondContact OE1-NH2 3.04Å; E773-R818 IonicContact OE2-NH1 3.58Å; E773-R818 PolarHBondContact OE2-NH1 2.88Å; E773-R854 IonicContact OE2-NH1 3.86Å
774H81.5Confident83.7Confident59 Ų5946.6 Ų46.627%0.27325%0.253SS..EExtended strand (participates in β ladder)trans-118.6133.3177.8-61.5-80.2000110.5Q741 S765 Q766 D768 R772 V776Q741-H774 HydrophobicContact CB-CB 3.97Å; Q741-H774 HydrophobicContact CG-CB 4.41Å; Q741-H774 VanDerWaalsContact OE1-CB 3.26Å; S765-H774 CarbonylContact C-O 3.47Å; S765-H774 WeakPolarHBondContact CA-O 3.1Å; S765-H774 WeakPolarHBondContact CB-O 3.27Å; Q766-H774 PolarHBondContact N-O 3.21Å; Q766-H774 PolarHBondContact O-N 3.3Å; D768-H774 IonicContact OD2-CD2 3.79Å; D768-H774 IonicContact OD2-CE1 2.77Å; D768-H774 IonicContact OD2-NE2 3.83Å; D768-H774 PolarHBondContact OD2-NE2 2.77Å; R772-H774 PolarHBondContact O-CD2 2.81Å; R772-H774 VanDerWaalsContact O-CD2 3.28Å; H774-V776 PolarHBondContact O-N 3.38Å
775P83.5Confident83.3Confident37 Ų3757.1 Ų57.124%0.2429%0.292CS..EExtended strand (participates in β ladder)trans-72.5130179.329.3-33.3000111.2L740 Q741 V763 L764 F778L740-P775 CarbonylContact C-O 3.55Å; L740-P775 VanDerWaalsContact CA-O 3.27Å; L740-P775 WeakPolarHBondContact CA-O 3.25Å; L740-P775 HydrophobicContact CD2-CB 4.03Å; L740-P775 HydrophobicContact CD2-CG 4.24Å; Q741-P775 PolarHBondContact N-O 2.8Å; V763-P775 HydrophobicContact CG1-CB 4.19Å; L764-P775 CarbonylContact O-C 3.56Å; P775-F778 HydrophobicContact CB-CE1 4.19Å; P775-F778 HydrophobicContact CB-CE2 4.09Å; P775-F778 HydrophobicContact CB-CZ 3.66Å; P775-F778 HydrophobicContact CG-CE2 4.32Å; P775-F778 HydrophobicContact CG-CZ 3.94Å
776V85.5Confident83Confident9 Ų959 Ų596%0.05531%0.308CS..EExtended strand (participates in β ladder)trans-90.7-37.6170.9176.70000110.5P743 F749 L764 Q766 H774 Y810P743-V776 HydrophobicContact CB-CG1 4.05Å; F749-V776 HydrophobicContact CE1-CG1 4.42Å; F749-V776 HydrophobicContact CE1-CG2 4.24Å; L764-V776 HydrophobicContact CD2-CB 4.26Å; L764-V776 HydrophobicContact CD2-CG1 4.11Å; L764-V776 HydrophobicContact CG-CB 4.29Å; L764-V776 PolarHBondContact O-N 3.18Å; Q766-V776 HydrophobicContact CB-CG2 4.42Å; Q766-V776 HydrophobicContact CG-CG2 3.94Å; H774-V776 PolarHBondContact O-N 3.38Å; V776-Y810 HydrophobicContact CG1-CE1 4.36Å
777A84.5Confident82.9Confident7 Ų760 Ų606%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-160.6145.7175.900000112.8L764 F807L764-A777 HydrophobicContact CB-CB 4.39Å; L764-A777 PolarHBondContact N-O 3.48Å; L764-A777 PolarHBondContact O-N 3.12Å; L764-A777 VanDerWaalsContact O-N 3.15Å; A777-F807 HydrophobicContact CB-CE1 3.63Å; A777-F807 HydrophobicContact CB-CZ 4.05Å
778F84.5Confident82.7Confident27 Ų2762 Ų6212%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-98.2149.3166-60.2-73.9000111.1K695 K698 L740 V763 P775K695-F778 WeakPolarHBondContact CA-O 3.45Å; K695-F778 WeakPolarHBondContact O-CB 3.4Å; K695-F778 VanDerWaalsContact O-CD2 3.3Å; K695-F778 WeakPolarHBondContact O-CD2 3.19Å; K695-F778 PolarHBondContact O-N 3.23Å; K698-F778 HydrophobicContact CB-CD1 3.87Å; K698-F778 HydrophobicContact CB-CE1 3.97Å; K698-F778 HydrophobicContact CB-CG 4.38Å; K698-F778 HydrophobicContact CD-CE1 4.43Å; K698-F778 HydrophobicContact CG-CD1 4.18Å; K698-F778 HydrophobicContact CG-CE1 4.26Å; L740-F778 HydrophobicContact CD2-CD2 3.98Å; L740-F778 HydrophobicContact CD2-CE2 3.81Å; V763-F778 HydrophobicContact CB-CD1 4.23Å; V763-F778 HydrophobicContact CB-CE1 4.29Å; V763-F778 HydrophobicContact CG1-CD1 3.84Å; V763-F778 HydrophobicContact CG1-CE1 3.56Å; V763-F778 HydrophobicContact CG1-CZ 4.48Å; V763-F778 HydrophobicContact CG2-CD1 3.8Å; V763-F778 HydrophobicContact CG2-CE1 3.88Å; P775-F778 HydrophobicContact CB-CE1 4.19Å; P775-F778 HydrophobicContact CB-CE2 4.09Å; P775-F778 HydrophobicContact CB-CZ 3.66Å; P775-F778 HydrophobicContact CG-CE2 4.32Å; P775-F778 HydrophobicContact CG-CZ 3.94Å
779A81.6Confident82.7Confident2 Ų269 Ų692%0.01734%0.339CS..EExtended strand (participates in β ladder)trans-141.1150.1170.300000111G761 A762 F803 Q806 F807G761-A779 CarbonylContact C-O 3.54Å; G761-A779 WeakPolarHBondContact CA-O 3.23Å; A762-A779 HydrophobicContact CB-CB 4.49Å; A762-A779 PolarHBondContact N-O 3.49Å; A762-A779 PolarHBondContact O-N 2.9Å; A779-F803 HydrophobicContact CB-CD1 3.47Å; A779-F803 VanDerWaalsContact CB-CD1 3.47Å; A779-F803 HydrophobicContact CB-CE1 3.49Å; A779-F803 VanDerWaalsContact CB-CE1 3.49Å; A779-F803 HydrophobicContact CB-CG 4.47Å; A779-F803 HydrophobicContact CB-CZ 4.49Å; A779-Q806 VanDerWaalsContact CB-NE2 3.34Å; A779-F807 HydrophobicContact CB-CE1 4.32Å; A779-F807 HydrophobicContact CB-CE2 3.73Å; A779-F807 HydrophobicContact CB-CZ 3.41Å; A779-F807 VanDerWaalsContact CB-CZ 3.41Å
780S83Confident82.9Confident8 Ų863.5 Ų63.56%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-158.8154.5171.857.60000111F700 A701 I760F700-S780 WeakPolarHBondContact CB-OG 3.4Å; F700-S780 PolarHBondContact N-OG 3.24Å; F700-S780 VanDerWaalsContact N-OG 3.15Å; A701-S780 PolarHBondContact N-OG 3.48Å; I760-S780 CarbonylContact O-C 3.44Å; I760-S780 VanDerWaalsContact O-CA 3.23Å; I760-S780 WeakPolarHBondContact O-CA 3.18Å; I760-S780 WeakPolarHBondContact O-CB 3.27Å
781R82.9Confident83.1Confident69 Ų6958.6 Ų58.626%0.2628%0.282SS..EExtended strand (participates in β ladder)trans-146.5136.7179.2-175.3177.471.991.6-10.9110.4A759 I760 E787A759-R781 CarbonylContact C-O 3.46Å; A759-R781 VanDerWaalsContact CA-O 3.3Å; A759-R781 WeakPolarHBondContact CA-O 3.46Å; A759-R781 WeakPolarHBondContact CB-O 3.39Å; I760-R781 HydrophobicContact CD1-CB 4.29Å; I760-R781 HydrophobicContact CG1-CB 4Å; I760-R781 WeakPolarHBondContact CG1-O 3.35Å; I760-R781 PolarHBondContact N-O 3.07Å; I760-R781 PolarHBondContact O-N 3.36Å; R781-E787 IonicContact CZ-OE1 3.68Å; R781-E787 IonicContact CZ-OE2 3.59Å; R781-E787 IonicContact NH1-OE1 3.47Å; R781-E787 PolarHBondContact NH1-OE1 2.96Å; R781-E787 IonicContact NH1-OE2 3.67Å; R781-E787 PolarHBondContact NH1-OE2 3.3Å; R781-E787 IonicContact NH2-OE1 3.23Å; R781-E787 PolarHBondContact NH2-OE1 3.14Å; R781-E787 IonicContact NH2-OE2 2.78Å
782T82Confident83.4Confident51 Ų5159.4 Ų59.431%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-72.5139171.851.50000110.8A701A701-T782 HydrophobicContact CB-CG2 3.89Å; A701-T782 WeakPolarHBondContact O-CG2 3.49Å
783L81.9Confident83.5Confident3 Ų353.4 Ų53.42%0.01625%0.254CS..PPolyproline II helixtrans-75.4132.9174.1-64.4175.6000110.7S756 T758 I760 E787 R788 R795 L798S756-L783 WeakPolarHBondContact O-CD1 3.44Å; T758-L783 PolarHBondContact O-N 2.77Å; I760-L783 HydrophobicContact CG1-CD2 4.39Å; I760-L783 HydrophobicContact CG2-CD2 3.87Å; I760-L783 HydrophobicContact CG2-CG 4.44Å; L783-E787 HydrophobicContact CB-CB 4.11Å; L783-E787 HydrophobicContact CD2-CB 3.91Å; L783-R788 HydrophobicContact CB-CG 3.67Å; L783-R788 PolarHBondContact O-NE 3.35Å; L783-R788 VanDerWaalsContact O-NE 3.07Å; L783-R795 HydrophobicContact CD1-CG 4.2Å; L783-L798 HydrophobicContact CD2-CD2 3.59Å
784T84.3Confident83.6Confident73 Ų7352.1 Ų52.145%0.44825%0.246SC..PPolyproline II helixtrans-64.9164.3171.8620000111.4A786 E787 R788T784-A786 PolarHBondContact O-N 3.47Å; T784-A786 VanDerWaalsContact O-N 3.11Å; T784-E787 WeakPolarHBondContact CB-OE2 3.23Å; T784-E787 VanDerWaalsContact CG2-OE2 3.27Å; T784-E787 WeakPolarHBondContact CG2-OE2 3.36Å; T784-E787 PolarHBondContact N-OE2 3.35Å; T784-E787 PolarHBondContact O-N 3.09Å; T784-E787 WeakPolarHBondContact OG1-CG 3.32Å; T784-E787 PolarHBondContact OG1-N 3.18Å; T784-E787 PolarHBondContact OG1-OE2 3.46Å; T784-R788 WeakPolarHBondContact O-CG 3.35Å; T784-R788 PolarHBondContact O-N 3.43Å
785R80Confident83.8Confident220 Ų22050.4 Ų50.483%0.8324%0.237SC*.THydrogen-bonded Turntrans-56-30.1176.8-172.1177.4179-177.50.8113.1R789R785-R789 PolarHBondContact O-NE 2.82Å
786A83.8Confident84Confident44 Ų4448.9 Ų48.936%0.36423%0.227SC..THydrogen-bonded Turntrans-75.3-46.1174.200000112T784 R788 R789T784-A786 PolarHBondContact O-N 3.47Å; T784-A786 VanDerWaalsContact O-N 3.11Å; A786-R788 PolarHBondContact O-N 2.93Å; A786-R789 WeakPolarHBondContact O-CB 3.45Å; A786-R789 PolarHBondContact O-N 2.81Å
787E88Confident84.1Confident23 Ų2348.5 Ų48.511%0.10723%0.225CC..G310 helixtrans-70.2-29.3-177.8-63.5162.8138.500113.1R781 L783 T784 R789 Y790 L798R781-E787 IonicContact CZ-OE1 3.68Å; R781-E787 IonicContact CZ-OE2 3.59Å; R781-E787 IonicContact NH1-OE1 3.47Å; R781-E787 PolarHBondContact NH1-OE1 2.96Å; R781-E787 IonicContact NH1-OE2 3.67Å; R781-E787 PolarHBondContact NH1-OE2 3.3Å; R781-E787 IonicContact NH2-OE1 3.23Å; R781-E787 PolarHBondContact NH2-OE1 3.14Å; R781-E787 IonicContact NH2-OE2 2.78Å; L783-E787 HydrophobicContact CB-CB 4.11Å; L783-E787 HydrophobicContact CD2-CB 3.91Å; T784-E787 WeakPolarHBondContact CB-OE2 3.23Å; T784-E787 VanDerWaalsContact CG2-OE2 3.27Å; T784-E787 WeakPolarHBondContact CG2-OE2 3.36Å; T784-E787 PolarHBondContact N-OE2 3.35Å; T784-E787 PolarHBondContact O-N 3.09Å; T784-E787 WeakPolarHBondContact OG1-CG 3.32Å; T784-E787 PolarHBondContact OG1-N 3.18Å; T784-E787 PolarHBondContact OG1-OE2 3.46Å; E787-R789 PolarHBondContact O-N 3.32Å; E787-Y790 HydrophobicContact CB-CD2 4.12Å; E787-Y790 HydrophobicContact CB-CE2 4.06Å; E787-Y790 HydrophobicContact CG-CD2 4.34Å; E787-Y790 HydrophobicContact CG-CE2 3.78Å; E787-Y790 WeakPolarHBondContact O-CB 3.33Å; E787-Y790 PolarHBondContact O-N 3.47Å; E787-L798 HydrophobicContact CB-CD2 3.95Å; E787-L798 HydrophobicContact CG-CD2 3.78Å; E787-L798 WeakPolarHBondContact OE1-CD2 3.5Å
788R83.9Confident84.4Confident91 Ų9148.7 Ų48.734%0.34323%0.225SC..G310 helixtrans-60.8-25.8172.8-70.6-176-167.6-176.63.5113L783 T784 A786 Y790 R795L783-R788 HydrophobicContact CB-CG 3.67Å; L783-R788 PolarHBondContact O-NE 3.35Å; L783-R788 VanDerWaalsContact O-NE 3.07Å; T784-R788 WeakPolarHBondContact O-CG 3.35Å; T784-R788 PolarHBondContact O-N 3.43Å; A786-R788 PolarHBondContact O-N 2.93Å; R788-Y790 VanDerWaalsContact C-N 3.27Å; R788-R795 PolarHBondContact O-NH1 3.48Å
789R84.5Confident84.6Confident175 Ų17547.4 Ų47.466%0.6622%0.219SC*.G310 helixtrans-83.2-0.5176.3-64.8-179.2-76.4168.6-0.3113R785 A786 E787 Q872R785-R789 PolarHBondContact O-NE 2.82Å; A786-R789 WeakPolarHBondContact O-CB 3.45Å; A786-R789 PolarHBondContact O-N 2.81Å; E787-R789 PolarHBondContact O-N 3.32Å; R789-Q872 PolarHBondContact O-NE2 3.45Å; R789-Q872 PolarHBondContact O-OE1 3.29Å
790Y85.7Confident85Confident39 Ų3947.3 Ų47.315%0.15322%0.219CC..SBendtrans-72.6142.3172.1-66.6-9.1000110.4E787 R788 R794 R795 L798 W840 Q872E787-Y790 HydrophobicContact CB-CD2 4.12Å; E787-Y790 HydrophobicContact CB-CE2 4.06Å; E787-Y790 HydrophobicContact CG-CD2 4.34Å; E787-Y790 HydrophobicContact CG-CE2 3.78Å; E787-Y790 WeakPolarHBondContact O-CB 3.33Å; E787-Y790 PolarHBondContact O-N 3.47Å; R788-Y790 VanDerWaalsContact C-N 3.27Å; Y790-R794 HydrophobicContact CD2-CG 3.79Å; Y790-R794 HydrophobicContact CE2-CG 4.39Å; Y790-R794 HydrophobicContact CG-CB 4.44Å; Y790-R794 HydrophobicContact CG-CG 3.87Å; Y790-R795 WeakPolarHBondContact O-CD 3.01Å; Y790-R795 PolarHBondContact O-NE 3.34Å; Y790-R795 PolarHBondContact O-NH1 3.49Å; Y790-L798 HydrophobicContact CD2-CD2 4.19Å; Y790-L798 HydrophobicContact CE2-CD2 4.18Å; Y790-W840 HydrophobicContact CE2-CH2 4.4Å; Y790-Q872 VanDerWaalsContact C-OE1 3.31Å
791C83.7Confident85.4Confident27 Ų2747.4 Ų47.418%0.18222%0.218CC..  trans-68.2158172.575.30000110.1T793 R794 R795 C870C791-T793 VanDerWaalsContact C-N 3.29Å; C791-T793 PolarHBondContact O-N 2.64Å; C791-T793 VanDerWaalsContact O-N 3.16Å; C791-R794 WeakPolarHBondContact O-CA 3.23Å; C791-R794 PolarHBondContact O-N 2.72Å; C791-R795 PolarHBondContact O-N 3.26Å; C791-C870 HydrophobicContact CB-CB 4.14Å; C791-C870 WeakPolarHBondContact CB-SG 3.18Å; C791-C870 WeakPolarHBondContact SG-CB 3.46Å; C791-C870 CovalentContact SG-SG 2.08Å; C791-C870 PolarHBondContact SG-SG 3.17Å
792V82.5Confident85.8Confident71 Ų7145.3 Ų45.343%0.4321%0.213SC..Hα-helixtrans-43.6-54.5-174.5-1790000111.2R794 R795 E796V792-R794 VanDerWaalsContact C-N 3.28Å; V792-R794 PolarHBondContact O-N 3.03Å; V792-R794 VanDerWaalsContact O-N 3.14Å; V792-R795 WeakPolarHBondContact O-CA 3.27Å; V792-R795 WeakPolarHBondContact O-CB 3.44Å; V792-R795 PolarHBondContact O-N 2.97Å; V792-E796 HydrophobicContact CG1-CG 4.22Å; V792-E796 WeakPolarHBondContact O-CG 3.38Å; V792-E796 PolarHBondContact O-N 2.84Å
793T82.8Confident86.2Confident11 Ų1142.9 Ų42.97%0.06720%0.198CC..Hα-helixtrans-52.6-39.1178.1-51.50000114.8C791 M797 H821 S823 W837 C873C791-T793 VanDerWaalsContact C-N 3.29Å; C791-T793 PolarHBondContact O-N 2.64Å; C791-T793 VanDerWaalsContact O-N 3.16Å; T793-M797 WeakPolarHBondContact O-CB 3.29Å; T793-M797 PolarHBondContact O-N 3.02Å; T793-M797 VanDerWaalsContact O-N 3.08Å; T793-H821 VanDerWaalsContact CA-NE2 3.31Å; T793-H821 WeakPolarHBondContact CA-NE2 3.22Å; T793-H821 PolarHBondContact N-NE2 3.37Å; T793-H821 PolarHBondContact OG1-NE2 2.95Å; T793-S823 WeakPolarHBondContact CG2-OG 3.48Å; T793-S823 PolarHBondContact OG1-OG 3.3Å; T793-W837 HydrophobicContact CG2-CH2 3.87Å; T793-W837 HydrophobicContact CG2-CZ2 4.27Å; T793-C873 HydrophobicContact CG2-CB 3.86Å
794R84.9Confident86.7Confident48 Ų4842.8 Ų42.818%0.18120%0.198CC..Hα-helixtrans-80-26.9-179.7-173.7175.8-175.9165.6-6.8111.9Y790 C791 V792 L798 W837 W840Y790-R794 HydrophobicContact CD2-CG 3.79Å; Y790-R794 HydrophobicContact CE2-CG 4.39Å; Y790-R794 HydrophobicContact CG-CB 4.44Å; Y790-R794 HydrophobicContact CG-CG 3.87Å; C791-R794 WeakPolarHBondContact O-CA 3.23Å; C791-R794 PolarHBondContact O-N 2.72Å; V792-R794 VanDerWaalsContact C-N 3.28Å; V792-R794 PolarHBondContact O-N 3.03Å; V792-R794 VanDerWaalsContact O-N 3.14Å; R794-L798 VanDerWaalsContact O-CB 3.28Å; R794-L798 WeakPolarHBondContact O-CB 3.46Å; R794-L798 PolarHBondContact O-N 2.73Å; R794-W837 HydrophobicContact CB-CZ2 4.1Å; R794-W837 HydrophobicContact CG-CZ2 4.38Å; R794-W840 HydrophobicContact CG-CH2 3.87Å; R794-W840 HydrophobicContact CG-CZ3 3.86Å
795R86.7Confident87Confident23 Ų2344.1 Ų44.19%0.08720%0.199CC..Hα-helixtrans-73.1-41.1171.2-65.7-175.2-65-14710.8111.6A755 D757 L783 R788 Y790 C791 V792 L798 A799A755-R795 VanDerWaalsContact CB-C 3.48Å; A755-R795 HydrophobicContact CB-CB 3.87Å; D757-R795 IonicContact OD1-CZ 3.03Å; D757-R795 IonicContact OD1-NH1 3.32Å; D757-R795 PolarHBondContact OD1-NH1 3.3Å; D757-R795 IonicContact OD1-NH2 3.9Å; D757-R795 PolarHBondContact OD1-NH2 3.03Å; L783-R795 HydrophobicContact CD1-CG 4.2Å; R788-R795 PolarHBondContact O-NH1 3.48Å; Y790-R795 WeakPolarHBondContact O-CD 3.01Å; Y790-R795 PolarHBondContact O-NE 3.34Å; Y790-R795 PolarHBondContact O-NH1 3.49Å; C791-R795 PolarHBondContact O-N 3.26Å; V792-R795 WeakPolarHBondContact O-CA 3.27Å; V792-R795 WeakPolarHBondContact O-CB 3.44Å; V792-R795 PolarHBondContact O-N 2.97Å; R795-L798 WeakPolarHBondContact O-CB 3.05Å; R795-L798 PolarHBondContact O-N 3.37Å; R795-A799 PolarHBondContact O-N 2.89Å
796E88.1Confident87.3Confident6 Ų637.1 Ų37.13%0.02818%0.176CC..Hα-helixtrans-59.4-48.7173.1-67.1-62.2156.400111.1A755 V792 L798 A799 V800 H821 L824A755-E796 HydrophobicContact CB-CG 4.18Å; A755-E796 WeakPolarHBondContact CB-OE1 3.4Å; A755-E796 PolarHBondContact N-OE1 3.22Å; A755-E796 PolarHBondContact N-OE2 2.88Å; V792-E796 HydrophobicContact CG1-CG 4.22Å; V792-E796 WeakPolarHBondContact O-CG 3.38Å; V792-E796 PolarHBondContact O-N 2.84Å; E796-L798 VanDerWaalsContact C-N 3.3Å; E796-L798 PolarHBondContact O-N 2.94Å; E796-A799 WeakPolarHBondContact O-CA 3.24Å; E796-A799 VanDerWaalsContact O-CB 3.27Å; E796-A799 WeakPolarHBondContact O-CB 3.07Å; E796-A799 PolarHBondContact O-N 3.45Å; E796-V800 PolarHBondContact O-N 3.09Å; E796-V800 VanDerWaalsContact O-N 3.09Å; E796-H821 HydrophobicContact CB-CB 4.2Å; E796-H821 HydrophobicContact CG-CB 3.71Å; E796-L824 HydrophobicContact CB-CD1 3.84Å
797M87.4Confident87.6Confident1 Ų135.4 Ų35.41%0.00516%0.16CC..Hα-helixtrans-61.4-38.6175.1-17763169.500112.6T793 A799 V800 I801 L824 L827 W837 W840 L844T793-M797 WeakPolarHBondContact O-CB 3.29Å; T793-M797 PolarHBondContact O-N 3.02Å; T793-M797 VanDerWaalsContact O-N 3.08Å; M797-A799 VanDerWaalsContact C-N 3.28Å; M797-A799 PolarHBondContact O-N 2.75Å; M797-V800 PolarHBondContact O-N 3.07Å; M797-I801 HydrophobicContact CE-CD1 4.12Å; M797-I801 HydrophobicContact CE-CG1 4.13Å; M797-I801 HydrophobicContact CG-CG1 4.42Å; M797-I801 VanDerWaalsContact O-CG1 3.31Å; M797-I801 WeakPolarHBondContact O-CG1 3.49Å; M797-I801 PolarHBondContact O-N 3Å; M797-I801 HydrophobicContact SD-CG1 4.42Å; M797-L824 HydrophobicContact CB-CD2 3.99Å; M797-L824 HydrophobicContact SD-CD2 4.04Å; M797-L827 HydrophobicContact CE-CD1 3.62Å; M797-L827 HydrophobicContact CE-CD2 3.74Å; M797-L827 HydrophobicContact CE-CG 3.99Å; M797-L827 HydrophobicContact SD-CD1 3.33Å; M797-L827 WeakPolarHBondContact SD-CD1 2.99Å; M797-L827 HydrophobicContact SD-CD2 3.8Å; M797-L827 HydrophobicContact SD-CG 4.12Å; M797-W837 HydrophobicContact CB-CH2 3.69Å; M797-W837 HydrophobicContact CB-CZ3 3.8Å; M797-W837 HydrophobicContact CE-CE3 4.3Å; M797-W837 HydrophobicContact CE-CZ3 4.27Å; M797-W837 HydrophobicContact CG-CE3 4.1Å; M797-W837 HydrophobicContact CG-CH2 3.91Å; M797-W837 HydrophobicContact CG-CZ3 3.5Å; M797-W837 HydrophobicContact SD-CZ3 4.05Å; M797-W840 HydrophobicContact CB-CE3 4.14Å; M797-W840 HydrophobicContact CB-CZ3 3.88Å; M797-W840 HydrophobicContact CE-CB 3.78Å; M797-W840 HydrophobicContact CE-CE3 4.34Å; M797-W840 HydrophobicContact CG-CD2 4.29Å; M797-W840 HydrophobicContact CG-CE3 3.3Å; M797-W840 HydrophobicContact CG-CZ3 3.57Å; M797-L844 HydrophobicContact CE-CD1 3.58Å; M797-L844 HydrophobicContact SD-CD1 4.23Å
798L90.2Very high87.7Confident11 Ų1140.4 Ų40.46%0.05818%0.178CC..Hα-helixtrans-62.7-36.1174.7178.366.3000111.5I760 L783 E787 Y790 R794 R795 E796 T802 W840I760-L798 HydrophobicContact CD1-CG 4.38Å; L783-L798 HydrophobicContact CD2-CD2 3.59Å; E787-L798 HydrophobicContact CB-CD2 3.95Å; E787-L798 HydrophobicContact CG-CD2 3.78Å; E787-L798 WeakPolarHBondContact OE1-CD2 3.5Å; Y790-L798 HydrophobicContact CD2-CD2 4.19Å; Y790-L798 HydrophobicContact CE2-CD2 4.18Å; R794-L798 VanDerWaalsContact O-CB 3.28Å; R794-L798 WeakPolarHBondContact O-CB 3.46Å; R794-L798 PolarHBondContact O-N 2.73Å; R795-L798 WeakPolarHBondContact O-CB 3.05Å; R795-L798 PolarHBondContact O-N 3.37Å; E796-L798 VanDerWaalsContact C-N 3.3Å; E796-L798 PolarHBondContact O-N 2.94Å; L798-T802 VanDerWaalsContact O-CB 3.23Å; L798-T802 WeakPolarHBondContact O-CB 3.3Å; L798-T802 PolarHBondContact O-N 2.77Å; L798-T802 PolarHBondContact O-OG1 3.27Å; L798-W840 HydrophobicContact CB-CH2 3.94Å; L798-W840 HydrophobicContact CB-CZ2 4.32Å; L798-W840 HydrophobicContact CD1-CH2 4.25Å; L798-W840 HydrophobicContact CD1-CZ2 3.79Å
799A88.6Confident87.8Confident0 Ų040.3 Ų40.30%019%0.189CC..Hα-helixtrans-60.6-51.6173.100000110.7A755 I760 R795 E796 M797 I801 T802 F803A755-A799 HydrophobicContact CB-CB 4.35Å; I760-A799 HydrophobicContact CB-CB 3.8Å; I760-A799 HydrophobicContact CD1-CB 4.47Å; I760-A799 HydrophobicContact CG2-CB 3.77Å; R795-A799 PolarHBondContact O-N 2.89Å; E796-A799 WeakPolarHBondContact O-CA 3.24Å; E796-A799 VanDerWaalsContact O-CB 3.27Å; E796-A799 WeakPolarHBondContact O-CB 3.07Å; E796-A799 PolarHBondContact O-N 3.45Å; M797-A799 VanDerWaalsContact C-N 3.28Å; M797-A799 PolarHBondContact O-N 2.75Å; A799-I801 PolarHBondContact O-N 2.86Å; A799-T802 PolarHBondContact O-N 2.96Å; A799-F803 HydrophobicContact CB-CD2 4.31Å; A799-F803 HydrophobicContact CB-CE2 4.24Å; A799-F803 WeakPolarHBondContact O-CD2 3.12Å; A799-F803 PolarHBondContact O-N 3.12Å
800V91.1Very high88.1Confident0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-53.3-55.5176.1176.70000111.6T753 E796 M797 T802 F803 V804 L817 L824 L844T753-V800 HydrophobicContact CG2-CG2 4.44Å; E796-V800 PolarHBondContact O-N 3.09Å; E796-V800 VanDerWaalsContact O-N 3.09Å; M797-V800 PolarHBondContact O-N 3.07Å; V800-T802 VanDerWaalsContact C-N 3.34Å; V800-T802 PolarHBondContact O-N 2.92Å; V800-F803 PolarHBondContact O-N 2.73Å; V800-V804 HydrophobicContact CG1-CG2 4.11Å; V800-V804 VanDerWaalsContact O-CB 3.29Å; V800-V804 WeakPolarHBondContact O-CB 3.5Å; V800-V804 WeakPolarHBondContact O-CG2 3.5Å; V800-V804 PolarHBondContact O-N 2.96Å; V800-L817 HydrophobicContact CB-CD2 4.41Å; V800-L817 HydrophobicContact CG1-CD1 4.27Å; V800-L817 HydrophobicContact CG1-CD2 3.53Å; V800-L817 HydrophobicContact CG2-CD1 4.22Å; V800-L817 HydrophobicContact CG2-CD2 3.94Å; V800-L824 HydrophobicContact CG2-CD1 3.79Å; V800-L844 HydrophobicContact CG1-CD1 4.13Å; V800-L844 HydrophobicContact CG1-CD2 4.08Å
801I90.6Very high88.3Confident10 Ų1033.5 Ų33.55%0.05116%0.164CC..Hα-helixtrans-59.8-45.4-177.4-66.7-73.8000111.6M797 A799 F803 E805 W840 K843 L844M797-I801 HydrophobicContact CE-CD1 4.12Å; M797-I801 HydrophobicContact CE-CG1 4.13Å; M797-I801 HydrophobicContact CG-CG1 4.42Å; M797-I801 VanDerWaalsContact O-CG1 3.31Å; M797-I801 WeakPolarHBondContact O-CG1 3.49Å; M797-I801 PolarHBondContact O-N 3Å; M797-I801 HydrophobicContact SD-CG1 4.42Å; A799-I801 PolarHBondContact O-N 2.86Å; I801-F803 PolarHBondContact O-N 3.5Å; I801-E805 WeakPolarHBondContact O-CB 3.45Å; I801-E805 PolarHBondContact O-N 3.47Å; I801-W840 HydrophobicContact CD1-CB 3.55Å; I801-W840 HydrophobicContact CD1-CG 3.93Å; I801-W840 VanDerWaalsContact CD1-O 3.23Å; I801-W840 WeakPolarHBondContact CD1-O 3.45Å; I801-W840 HydrophobicContact CG1-CB 3.83Å; I801-W840 HydrophobicContact CG1-CD2 4.03Å; I801-W840 HydrophobicContact CG1-CG 3.74Å; I801-W840 HydrophobicContact CG2-CG 4.48Å; I801-K843 HydrophobicContact CD1-CB 4.46Å; I801-K843 HydrophobicContact CG2-CD 4.45Å; I801-L844 HydrophobicContact CD1-CD1 3.56Å; I801-L844 HydrophobicContact CD1-CD2 3.82Å; I801-L844 HydrophobicContact CD1-CG 3.39Å; I801-L844 HydrophobicContact CG1-CD1 4.39Å
802T90.6Very high88.2Confident24 Ų2439.2 Ų39.215%0.14719%0.188CC..Hα-helixtrans-62.8-45.9-177.6-58.20000110.8I760 L798 A799 V800 Q806I760-T802 HydrophobicContact CD1-CG2 3.95Å; I760-T802 WeakPolarHBondContact CD1-OG1 3.15Å; L798-T802 VanDerWaalsContact O-CB 3.23Å; L798-T802 WeakPolarHBondContact O-CB 3.3Å; L798-T802 PolarHBondContact O-N 2.77Å; L798-T802 PolarHBondContact O-OG1 3.27Å; A799-T802 PolarHBondContact O-N 2.96Å; V800-T802 VanDerWaalsContact C-N 3.34Å; V800-T802 PolarHBondContact O-N 2.92Å; T802-Q806 WeakPolarHBondContact O-CB 3.29Å; T802-Q806 PolarHBondContact O-N 2.81Å
803F92Very high88.3Confident0 Ų038.5 Ų38.50%018%0.18CC..Hα-helixtrans-86.7-26.4-171.9-60.8-55.7000113.8L751 T753 I760 G761 A762 A779 A799 V800 I801 E805 Q806 F807L751-F803 HydrophobicContact CD1-CB 4.41Å; T753-F803 HydrophobicContact CG2-CD2 4.39Å; I760-F803 HydrophobicContact CB-CE2 3.91Å; I760-F803 HydrophobicContact CB-CZ 4.28Å; I760-F803 HydrophobicContact CD1-CE2 3.9Å; I760-F803 HydrophobicContact CD1-CZ 3.99Å; I760-F803 HydrophobicContact CG1-CE2 3.94Å; I760-F803 HydrophobicContact CG1-CZ 3.89Å; I760-F803 WeakPolarHBondContact O-CZ 3.46Å; G761-F803 VanDerWaalsContact O-CE2 3.29Å; G761-F803 WeakPolarHBondContact O-CE2 3.44Å; A762-F803 HydrophobicContact CB-CB 3.59Å; A762-F803 HydrophobicContact CB-CD1 3.92Å; A762-F803 HydrophobicContact CB-CD2 3.29Å; A762-F803 HydrophobicContact CB-CE1 4.46Å; A762-F803 HydrophobicContact CB-CE2 3.9Å; A762-F803 HydrophobicContact CB-CG 3.31Å; A762-F803 HydrophobicContact CB-CZ 4.45Å; A779-F803 HydrophobicContact CB-CD1 3.47Å; A779-F803 VanDerWaalsContact CB-CD1 3.47Å; A779-F803 HydrophobicContact CB-CE1 3.49Å; A779-F803 VanDerWaalsContact CB-CE1 3.49Å; A779-F803 HydrophobicContact CB-CG 4.47Å; A779-F803 HydrophobicContact CB-CZ 4.49Å; A799-F803 HydrophobicContact CB-CD2 4.31Å; A799-F803 HydrophobicContact CB-CE2 4.24Å; A799-F803 WeakPolarHBondContact O-CD2 3.12Å; A799-F803 PolarHBondContact O-N 3.12Å; V800-F803 PolarHBondContact O-N 2.73Å; I801-F803 PolarHBondContact O-N 3.5Å; F803-E805 VanDerWaalsContact C-N 3.32Å; F803-Q806 PolarHBondContact O-N 3.01Å; F803-F807 HydrophobicContact CB-CD2 4.22Å; F803-F807 HydrophobicContact CB-CE2 4.33Å; F803-F807 WeakPolarHBondContact O-CB 3.41Å; F803-F807 VanDerWaalsContact O-CD2 3.24Å; F803-F807 WeakPolarHBondContact O-CD2 3.09Å; F803-F807 PolarHBondContact O-N 2.82Å
804V91.6Very high88.6Confident2 Ų244 Ų441%0.01220%0.202CC..Hα-helixtrans-63.5-41.2166.7170.70000110.7L751 V800 R808 L811 F815 L844 Y847L751-V804 HydrophobicContact CD2-CG2 3.61Å; V800-V804 HydrophobicContact CG1-CG2 4.11Å; V800-V804 VanDerWaalsContact O-CB 3.29Å; V800-V804 WeakPolarHBondContact O-CB 3.5Å; V800-V804 WeakPolarHBondContact O-CG2 3.5Å; V800-V804 PolarHBondContact O-N 2.96Å; V804-R808 PolarHBondContact O-N 2.83Å; V804-R808 VanDerWaalsContact O-N 3.12Å; V804-L811 HydrophobicContact CG2-CD1 4.41Å; V804-F815 HydrophobicContact CG1-CZ 4.44Å; V804-F815 HydrophobicContact CG2-CE2 4.39Å; V804-F815 HydrophobicContact CG2-CZ 4.03Å; V804-L844 HydrophobicContact CB-CD2 4.16Å; V804-L844 HydrophobicContact CG1-CD2 4.01Å; V804-L844 HydrophobicContact CG2-CD2 4.15Å; V804-Y847 HydrophobicContact CG1-CD1 4.05Å; V804-Y847 HydrophobicContact CG1-CD2 3.4Å; V804-Y847 HydrophobicContact CG1-CE1 3.89Å; V804-Y847 HydrophobicContact CG1-CE2 3.22Å; V804-Y847 HydrophobicContact CG1-CG 3.81Å; V804-Y847 VanDerWaalsContact CG1-CZ 3.48Å; V804-Y847 PolarHBondContact O-OH 3.22Å
805E89.7Confident89Confident101 Ų10141.9 Ų41.947%0.47220%0.195SC..Hα-helixtrans-68.3-42.1175.4-173.7162.3-148.700111.7I801 F803 R808 K843I801-E805 WeakPolarHBondContact O-CB 3.45Å; I801-E805 PolarHBondContact O-N 3.47Å; F803-E805 VanDerWaalsContact C-N 3.32Å; E805-R808 VanDerWaalsContact O-CB 3.32Å; E805-R808 WeakPolarHBondContact O-CB 3.39Å; E805-R808 PolarHBondContact O-N 3.21Å; E805-K843 IonicContact OE1-NZ 3.53Å; E805-K843 PolarHBondContact OE1-NZ 2.89Å; E805-K843 IonicContact OE2-NZ 2.7Å; E805-K843 PolarHBondContact OE2-NZ 2.88Å
806Q87.8Confident89.2Confident72 Ų7243.9 Ų43.934%0.33620%0.204SC..Hα-helixtrans-65.8-39.2178.4-175174.1-32.100112.9A779 T802 F803 R808A779-Q806 VanDerWaalsContact CB-NE2 3.34Å; T802-Q806 WeakPolarHBondContact O-CB 3.29Å; T802-Q806 PolarHBondContact O-N 2.81Å; F803-Q806 PolarHBondContact O-N 3.01Å; Q806-R808 VanDerWaalsContact C-N 3.35Å
807F90.1Very high89.4Confident9 Ų943.6 Ų43.64%0.03920%0.202CC..THydrogen-bonded Turntrans-95.918.1179.4-62.7-54000113.2L751 A762 L764 A777 A779 F803 P809 Y810 L811L751-F807 HydrophobicContact CD1-CD2 3.7Å; L751-F807 HydrophobicContact CD1-CE2 3.95Å; A762-F807 HydrophobicContact CB-CE2 4.11Å; L764-F807 HydrophobicContact CB-CD2 4.3Å; L764-F807 HydrophobicContact CB-CE1 4.43Å; L764-F807 HydrophobicContact CB-CE2 4.12Å; L764-F807 HydrophobicContact CB-CZ 4.17Å; L764-F807 HydrophobicContact CD2-CB 4.42Å; L764-F807 HydrophobicContact CD2-CD1 4.09Å; L764-F807 HydrophobicContact CD2-CG 4.21Å; A777-F807 HydrophobicContact CB-CE1 3.63Å; A777-F807 HydrophobicContact CB-CZ 4.05Å; A779-F807 HydrophobicContact CB-CE1 4.32Å; A779-F807 HydrophobicContact CB-CE2 3.73Å; A779-F807 HydrophobicContact CB-CZ 3.41Å; A779-F807 VanDerWaalsContact CB-CZ 3.41Å; F803-F807 HydrophobicContact CB-CD2 4.22Å; F803-F807 HydrophobicContact CB-CE2 4.33Å; F803-F807 WeakPolarHBondContact O-CB 3.41Å; F803-F807 VanDerWaalsContact O-CD2 3.24Å; F803-F807 WeakPolarHBondContact O-CD2 3.09Å; F803-F807 PolarHBondContact O-N 2.82Å; F807-P809 VanDerWaalsContact C-N 3.28Å; F807-P809 VanDerWaalsContact O-N 3.11Å; F807-Y810 HydrophobicContact CB-CD2 4.19Å; F807-Y810 HydrophobicContact CD1-CD2 4.1Å; F807-Y810 HydrophobicContact CD1-CE2 4.26Å; F807-Y810 PolarHBondContact O-N 3.05Å; F807-L811 HydrophobicContact CB-CD1 3.69Å; F807-L811 HydrophobicContact CB-CG 3.99Å; F807-L811 WeakPolarHBondContact O-CG 3.35Å; F807-L811 PolarHBondContact O-N 2.9Å; F807-L811 VanDerWaalsContact O-N 3.07Å
808R89.2Confident89.4Confident128 Ų12844.7 Ų44.748%0.48321%0.207SC..THydrogen-bonded Turntrans-45.5-42.1178.2178.8178.7177.8-178.81.5114.2V804 E805 Q806 Y810 L811 Q812 Y847V804-R808 PolarHBondContact O-N 2.83Å; V804-R808 VanDerWaalsContact O-N 3.12Å; E805-R808 VanDerWaalsContact O-CB 3.32Å; E805-R808 WeakPolarHBondContact O-CB 3.39Å; E805-R808 PolarHBondContact O-N 3.21Å; Q806-R808 VanDerWaalsContact C-N 3.35Å; R808-Y810 PolarHBondContact O-N 2.92Å; R808-L811 PolarHBondContact O-N 3.19Å; R808-Q812 WeakPolarHBondContact O-CG 3.45Å; R808-Q812 PolarHBondContact O-N 2.98Å; R808-Y847 HydrophobicContact CG-CE1 4.24Å
809P86.9Confident89.1Confident88 Ų8844.3 Ų44.357%0.57121%0.205SC*.THydrogen-bonded Turntrans-62-24.2178.5-24.335.6000115F807F807-P809 VanDerWaalsContact C-N 3.28Å; F807-P809 VanDerWaalsContact O-N 3.11Å
810Y89.2Confident88.5Confident72 Ų7246.4 Ų46.428%0.28222%0.216SC..THydrogen-bonded Turntrans-93.4-36.2177.7-55.1-77.1000111.8P743 F745 F749 L764 V776 F807 R808 Q812P743-Y810 HydrophobicContact CB-CD1 4.15Å; P743-Y810 HydrophobicContact CB-CE1 4.02Å; P743-Y810 HydrophobicContact CG-CE1 4.04Å; F745-Y810 HydrophobicContact CE1-CD1 4.41Å; F745-Y810 HydrophobicContact CZ-CD1 4.4Å; F749-Y810 WeakPolarHBondContact CD2-O 3.11Å; F749-Y810 HydrophobicContact CE1-CD1 4.25Å; F749-Y810 WeakPolarHBondContact CE2-O 3.38Å; F749-Y810 AromaticContact CZ-CD1 3.94Å; F749-Y810 HydrophobicContact CZ-CD1 3.94Å; F749-Y810 HydrophobicContact CZ-CG 4.43Å; L764-Y810 HydrophobicContact CD2-CD1 4.24Å; L764-Y810 HydrophobicContact CD2-CD2 3.59Å; L764-Y810 HydrophobicContact CD2-CE2 4.23Å; L764-Y810 HydrophobicContact CD2-CG 3.59Å; V776-Y810 HydrophobicContact CG1-CE1 4.36Å; F807-Y810 HydrophobicContact CB-CD2 4.19Å; F807-Y810 HydrophobicContact CD1-CD2 4.1Å; F807-Y810 HydrophobicContact CD1-CE2 4.26Å; F807-Y810 PolarHBondContact O-N 3.05Å; R808-Y810 PolarHBondContact O-N 2.92Å; Y810-Q812 PolarHBondContact O-N 2.97Å
811L90.4Very high87.8Confident0 Ų047.5 Ų47.50%022%0.221CC..THydrogen-bonded Turntrans-92.416.1-168.5-59179000114.4F749 L751 L764 V804 F807 R808 Q813 F815 Y847F749-L811 HydrophobicContact CB-CD2 3.84Å; F749-L811 HydrophobicContact CG-CD2 4.42Å; L751-L811 HydrophobicContact CD2-CD1 3.81Å; L764-L811 HydrophobicContact CD1-CD2 3.68Å; L764-L811 HydrophobicContact CD1-CG 4.4Å; V804-L811 HydrophobicContact CG2-CD1 4.41Å; F807-L811 HydrophobicContact CB-CD1 3.69Å; F807-L811 HydrophobicContact CB-CG 3.99Å; F807-L811 WeakPolarHBondContact O-CG 3.35Å; F807-L811 PolarHBondContact O-N 2.9Å; F807-L811 VanDerWaalsContact O-N 3.07Å; R808-L811 PolarHBondContact O-N 3.19Å; L811-Q813 PolarHBondContact O-N 3.43Å; L811-F815 HydrophobicContact CB-CD1 3.87Å; L811-F815 HydrophobicContact CB-CE1 3.75Å; L811-F815 HydrophobicContact CB-CG 4.49Å; L811-F815 HydrophobicContact CB-CZ 4.32Å; L811-F815 HydrophobicContact CD1-CE1 4.4Å; L811-F815 HydrophobicContact CD1-CE2 4.27Å; L811-F815 HydrophobicContact CD1-CZ 4.15Å; L811-F815 HydrophobicContact CD2-CB 3.92Å; L811-F815 HydrophobicContact CD2-CD1 3.92Å; L811-F815 HydrophobicContact CD2-CD2 3.89Å; L811-F815 HydrophobicContact CD2-CE1 4.33Å; L811-F815 HydrophobicContact CD2-CE2 4.33Å; L811-F815 HydrophobicContact CD2-CG 3.67Å; L811-F815 HydrophobicContact CG-CD1 4.38Å; L811-F815 HydrophobicContact CG-CE1 4.38Å; L811-Y847 WeakPolarHBondContact O-CD1 3.18Å
812Q82.3Confident86.7Confident147 Ų14748 Ų4869%0.68723%0.229SC*.THydrogen-bonded Turntrans-70.8-20.1173.1-84.2179.3-23.600113.1R808 Y810R808-Q812 WeakPolarHBondContact O-CG 3.45Å; R808-Q812 PolarHBondContact O-N 2.98Å; Y810-Q812 PolarHBondContact O-N 2.97Å
813Q83.3Confident85.6Confident56 Ų5647 Ų4726%0.26222%0.223SC..SBendtrans-91.4169.2170.860.9171.4-13.500111.8F745 V747 F749 L811 F815F745-Q813 PolarHBondContact O-OE1 3Å; F745-Q813 VanDerWaalsContact O-OE1 3.11Å; V747-Q813 PolarHBondContact O-NE2 3.21Å; F749-Q813 HydrophobicContact CD2-CG 4.08Å; F749-Q813 HydrophobicContact CE2-CG 4.4Å; L811-Q813 PolarHBondContact O-N 3.43Å; Q813-F815 WeakPolarHBondContact O-CD1 3.28Å; Q813-F815 PolarHBondContact O-N 2.9Å
814K89.4Confident84.5Confident125 Ų12547.1 Ų47.154%0.54322%0.223SC..  trans-58.4129.4175.1-174174.4-172.4175.30111D848K814-D848 WeakPolarHBondContact CA-O 3.41Å; K814-D848 HydrophobicContact CB-CB 4.48Å; K814-D848 WeakPolarHBondContact CD-OD2 3.36Å; K814-D848 VanDerWaalsContact CG-OD2 3.31Å; K814-D848 WeakPolarHBondContact CG-OD2 3.41Å
815F93.2Very high83.4Confident5 Ų552 Ų522%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-137.1169.7-179.170.2-90.8000113.1F749 L751 V804 L811 Q813 L817 Y847 D848 F849 V850F749-F815 HydrophobicContact CB-CB 4.13Å; F749-F815 WeakPolarHBondContact O-CA 3.45Å; F749-F815 VanDerWaalsContact O-CB 3.28Å; F749-F815 WeakPolarHBondContact O-CB 3.25Å; L751-F815 HydrophobicContact CB-CD2 4.3Å; L751-F815 HydrophobicContact CB-CE2 4.36Å; L751-F815 HydrophobicContact CD2-CE2 4.34Å; V804-F815 HydrophobicContact CG1-CZ 4.44Å; V804-F815 HydrophobicContact CG2-CE2 4.39Å; V804-F815 HydrophobicContact CG2-CZ 4.03Å; L811-F815 HydrophobicContact CB-CD1 3.87Å; L811-F815 HydrophobicContact CB-CE1 3.75Å; L811-F815 HydrophobicContact CB-CG 4.49Å; L811-F815 HydrophobicContact CB-CZ 4.32Å; L811-F815 HydrophobicContact CD1-CE1 4.4Å; L811-F815 HydrophobicContact CD1-CE2 4.27Å; L811-F815 HydrophobicContact CD1-CZ 4.15Å; L811-F815 HydrophobicContact CD2-CB 3.92Å; L811-F815 HydrophobicContact CD2-CD1 3.92Å; L811-F815 HydrophobicContact CD2-CD2 3.89Å; L811-F815 HydrophobicContact CD2-CE1 4.33Å; L811-F815 HydrophobicContact CD2-CE2 4.33Å; L811-F815 HydrophobicContact CD2-CG 3.67Å; L811-F815 HydrophobicContact CG-CD1 4.38Å; L811-F815 HydrophobicContact CG-CE1 4.38Å; Q813-F815 WeakPolarHBondContact O-CD1 3.28Å; Q813-F815 PolarHBondContact O-N 2.9Å; F815-L817 HydrophobicContact CE2-CB 4.15Å; F815-Y847 HydrophobicContact CE1-CD1 4.38Å; F815-Y847 HydrophobicContact CE1-CG 4.44Å; F815-D848 WeakPolarHBondContact CD1-O 3.49Å; F815-D848 PolarHBondContact N-O 3.5Å; F815-D848 VanDerWaalsContact N-O 3.1Å; F815-F849 HydrophobicContact CD1-CB 3.99Å; F815-F849 HydrophobicContact CD2-CB 3.84Å; F815-F849 HydrophobicContact CE1-CB 3.74Å; F815-F849 HydrophobicContact CE1-CD1 4.32Å; F815-F849 HydrophobicContact CE1-CG 4.38Å; F815-F849 HydrophobicContact CE2-CB 3.56Å; F815-F849 HydrophobicContact CE2-CG 4.15Å; F815-F849 HydrophobicContact CG-CB 4.04Å; F815-F849 HydrophobicContact CZ-CB 3.51Å; F815-F849 HydrophobicContact CZ-CD1 4Å; F815-F849 AromaticContact CZ-CG 3.89Å; F815-F849 HydrophobicContact CZ-CG 3.89Å; F815-F849 WeakPolarHBondContact O-CA 3.37Å; F815-V850 PolarHBondContact O-N 3.35Å
816K92.1Very high82.2Confident64 Ų6451.5 Ų51.528%0.27824%0.24SC..EExtended strand (participates in β ladder)trans-106.9118.8178.7178.9-178.3-75.6-145.80109.3F749 I750 L751 R818 E852F749-K816 PolarHBondContact O-N 3.45Å; I750-K816 CarbonylContact C-O 3.58Å; I750-K816 WeakPolarHBondContact CA-O 3.03Å; I750-K816 HydrophobicContact CG1-CB 4.35Å; I750-K816 HydrophobicContact CG1-CD 4.25Å; I750-K816 HydrophobicContact CG2-CD 4.42Å; L751-K816 PolarHBondContact N-O 3.44Å; K816-R818 HydrophobicContact CD-CG 4.49Å; K816-R818 HydrophobicContact CG-CG 4.23Å; K816-E852 VanDerWaalsContact CD-CD 3.46Å; K816-E852 HydrophobicContact CD-CG 4.44Å; K816-E852 WeakPolarHBondContact CD-OE2 3.24Å; K816-E852 VanDerWaalsContact CE-CD 3.45Å; K816-E852 WeakPolarHBondContact CE-OE1 3.15Å; K816-E852 WeakPolarHBondContact CE-OE2 3.09Å; K816-E852 HydrophobicContact CG-CG 4.2Å; K816-E852 VanDerWaalsContact NZ-CD 3.27Å; K816-E852 IonicContact NZ-OE1 3.82Å; K816-E852 PolarHBondContact NZ-OE1 3.31Å; K816-E852 IonicContact NZ-OE2 3.84Å; K816-E852 PolarHBondContact NZ-OE2 2.84Å; K816-E852 VanDerWaalsContact NZ-OE2 3.14Å
817L91.1Very high81.1Confident0 Ų048.7 Ų48.70%023%0.227CC..EExtended strand (participates in β ladder)trans-97.4118.2175.1176.967.4000109.1L751 T753 V800 F815 F849 V850 I851 E852L751-L817 HydrophobicContact CB-CD1 4.27Å; L751-L817 HydrophobicContact CD2-CD1 3.84Å; L751-L817 HydrophobicContact CG-CD1 4.04Å; L751-L817 CarbonylContact O-C 3.57Å; L751-L817 WeakPolarHBondContact O-CA 3.31Å; T753-L817 HydrophobicContact CG2-CD1 3.92Å; V800-L817 HydrophobicContact CB-CD2 4.41Å; V800-L817 HydrophobicContact CG1-CD1 4.27Å; V800-L817 HydrophobicContact CG1-CD2 3.53Å; V800-L817 HydrophobicContact CG2-CD1 4.22Å; V800-L817 HydrophobicContact CG2-CD2 3.94Å; F815-L817 HydrophobicContact CE2-CB 4.15Å; L817-F849 HydrophobicContact CB-CD2 3.99Å; L817-F849 HydrophobicContact CD2-CD2 3.97Å; L817-F849 HydrophobicContact CD2-CE2 3.92Å; L817-V850 PolarHBondContact N-O 2.69Å; L817-I851 HydrophobicContact CD2-CG1 4.27Å; L817-I851 CarbonylContact O-C 3.52Å; L817-I851 WeakPolarHBondContact O-CA 3.31Å; L817-E852 PolarHBondContact O-N 3.46Å
818R88Confident79.6Confident25 Ų2555.4 Ų55.49%0.09425%0.252CS..EExtended strand (participates in β ladder)trans-111132.7177.5-74.5172.9-175.2168.41.2111I750 L751 D752 T753 E773 K816 E852I750-R818 HydrophobicContact CG2-CG 4.43Å; L751-R818 PolarHBondContact O-N 2.98Å; D752-R818 CarbonylContact C-O 3.5Å; D752-R818 WeakPolarHBondContact CA-O 3.32Å; D752-R818 WeakPolarHBondContact OD1-CB 3.43Å; D752-R818 WeakPolarHBondContact OD1-CD 3.23Å; T753-R818 PolarHBondContact N-O 3.18Å; E773-R818 IonicContact OE1-CZ 3.96Å; E773-R818 IonicContact OE1-NH1 3.14Å; E773-R818 PolarHBondContact OE1-NH1 3.21Å; E773-R818 IonicContact OE1-NH2 3.67Å; E773-R818 PolarHBondContact OE1-NH2 3.04Å; E773-R818 IonicContact OE2-NH1 3.58Å; E773-R818 PolarHBondContact OE2-NH1 2.88Å; K816-R818 HydrophobicContact CD-CG 4.49Å; K816-R818 HydrophobicContact CG-CG 4.23Å; R818-E852 WeakPolarHBondContact CA-O 3.36Å; R818-E852 HydrophobicContact CG-CB 3.88Å; R818-E852 IonicContact NE-OE2 2.72Å; R818-E852 PolarHBondContact NE-OE2 3.48Å
819T83.7Confident78.3Confident3 Ų355.2 Ų55.22%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-144.1147.8177.3171.10000109H821 L824 I851 E852 H853 R854T819-H821 PolarHBondContact O-N 3.32Å; T819-H821 PolarHBondContact OG1-N 2.96Å; T819-L824 HydrophobicContact CG2-CB 4.02Å; T819-L824 HydrophobicContact CG2-CD1 3.92Å; T819-L824 HydrophobicContact CG2-CG 4.45Å; T819-I851 HydrophobicContact CG2-CG2 4.29Å; T819-E852 PolarHBondContact N-O 2.91Å; T819-H853 WeakPolarHBondContact O-CA 3.31Å; T819-H853 PolarHBondContact O-CD2 3.02Å; T819-R854 PolarHBondContact O-N 2.92Å
820D77.1Confident77.1Confident43 Ų4353.7 Ų53.723%0.2325%0.245CC..SBendtrans-78.8-5.4175.371.2-24.1000112.9H853 R854 H859D820-H853 PolarHBondContact O-CD2 3.29Å; D820-H853 PolarHBondContact O-NE2 2.62Å; D820-R854 VanDerWaalsContact CA-O 3.28Å; D820-R854 WeakPolarHBondContact CA-O 3.32Å; D820-H859 IonicContact OD2-CE1 3.03Å
821H76.2Confident75.4Confident24 Ų2459.7 Ų59.711%0.11127%0.273CS..  trans-101.2100.8-178.9-157.140.5000111.9T793 E796 T819 S823 L824T793-H821 VanDerWaalsContact CA-NE2 3.31Å; T793-H821 WeakPolarHBondContact CA-NE2 3.22Å; T793-H821 PolarHBondContact N-NE2 3.37Å; T793-H821 PolarHBondContact OG1-NE2 2.95Å; E796-H821 HydrophobicContact CB-CB 4.2Å; E796-H821 HydrophobicContact CG-CB 3.71Å; T819-H821 PolarHBondContact O-N 3.32Å; T819-H821 PolarHBondContact OG1-N 2.96Å; H821-S823 PolarHBondContact CD2-OG 3.18Å; H821-S823 PolarHBondContact CE1-OG 2.72Å; H821-S823 PolarHBondContact NE2-OG 3.34Å; H821-S823 CarbonylContact O-C 3.5Å; H821-S823 WeakPolarHBondContact O-CA 3.29Å; H821-S823 PolarHBondContact O-N 3.11Å; H821-S823 VanDerWaalsContact O-N 3.07Å; H821-L824 PolarHBondContact O-N 2.71Å
822G66.4Low73.8Confident21 Ų2165.3 Ų65.322%0.21630%0.303CS..G310 helixtrans-54.9-30.6-179.400000113.6L824 Q825 W826 H853G822-L824 VanDerWaalsContact C-N 3.27Å; G822-L824 PolarHBondContact O-N 3.31Å; G822-Q825 WeakPolarHBondContact O-CB 3.45Å; G822-Q825 PolarHBondContact O-N 3.48Å; G822-W826 WeakPolarHBondContact O-CZ3 3.22Å; G822-H853 PolarHBondContact N-CD2 3.41Å; G822-H853 VanDerWaalsContact N-CD2 3.28Å
823S67.3Low72.9Confident3 Ų360 Ų602%0.02128%0.281CS..G310 helix22.2-86.7128.11100000118.4T793 H821 Q825 W826 R875T793-S823 WeakPolarHBondContact CG2-OG 3.48Å; T793-S823 PolarHBondContact OG1-OG 3.3Å; H821-S823 PolarHBondContact CD2-OG 3.18Å; H821-S823 PolarHBondContact CE1-OG 2.72Å; H821-S823 PolarHBondContact NE2-OG 3.34Å; H821-S823 CarbonylContact O-C 3.5Å; H821-S823 WeakPolarHBondContact O-CA 3.29Å; H821-S823 PolarHBondContact O-N 3.11Å; H821-S823 VanDerWaalsContact O-N 3.07Å; S823-Q825 PolarHBondContact O-N 3.42Å; S823-W826 VanDerWaalsContact CB-CE2 3.49Å; S823-W826 VanDerWaalsContact O-CE3 3.23Å; S823-W826 WeakPolarHBondContact O-CZ2 3.23Å; S823-W826 PolarHBondContact O-NE1 3.16Å; S823-R875 PolarHBondContact OG-NH2 3.37Å
824L69.5Low71.8Confident1 Ų161 Ų611%0.00529%0.288CS..G310 helixtrans-88.1-3.7-159.2-58.7169.4000109.7E796 M797 V800 T819 H821 G822 W826 L827 I851E796-L824 HydrophobicContact CB-CD1 3.84Å; M797-L824 HydrophobicContact CB-CD2 3.99Å; M797-L824 HydrophobicContact SD-CD2 4.04Å; V800-L824 HydrophobicContact CG2-CD1 3.79Å; T819-L824 HydrophobicContact CG2-CB 4.02Å; T819-L824 HydrophobicContact CG2-CD1 3.92Å; T819-L824 HydrophobicContact CG2-CG 4.45Å; H821-L824 PolarHBondContact O-N 2.71Å; G822-L824 VanDerWaalsContact C-N 3.27Å; G822-L824 PolarHBondContact O-N 3.31Å; L824-W826 PolarHBondContact O-N 3.08Å; L824-L827 HydrophobicContact CD2-CD1 3.77Å; L824-L827 WeakPolarHBondContact O-CB 3.37Å; L824-L827 PolarHBondContact O-N 3.2Å; L824-I851 WeakPolarHBondContact O-CD1 3.38Å
825Q68.8Low71.2Confident106 Ų10657.7 Ų57.750%0.49529%0.289SS..G310 helixtrans-60.5-32.6174.8-69.3-169.6-36.400112.4G822 S823 L827 I851 H853G822-Q825 WeakPolarHBondContact O-CB 3.45Å; G822-Q825 PolarHBondContact O-N 3.48Å; S823-Q825 PolarHBondContact O-N 3.42Å; Q825-L827 VanDerWaalsContact C-N 3.29Å; Q825-L827 PolarHBondContact O-N 3Å; Q825-I851 HydrophobicContact CG-CG2 4.31Å; Q825-H853 HydrophobicContact CG-CB 4.24Å; Q825-H853 VanDerWaalsContact NE2-CB 3.26Å
826W63.8Low70.5Confident90 Ų9059.7 Ų59.734%0.34130%0.299SS..G310 helixtrans-86.49.3177.158.876.7000114.3G822 S823 L824 R828 N829 F830 R875G822-W826 WeakPolarHBondContact O-CZ3 3.22Å; S823-W826 VanDerWaalsContact CB-CE2 3.49Å; S823-W826 VanDerWaalsContact O-CE3 3.23Å; S823-W826 WeakPolarHBondContact O-CZ2 3.23Å; S823-W826 PolarHBondContact O-NE1 3.16Å; L824-W826 PolarHBondContact O-N 3.08Å; W826-R828 PolarHBondContact O-N 3.23Å; W826-N829 HydrophobicContact CB-CB 4.45Å; W826-N829 CarbonylContact O-C 3.35Å; W826-N829 WeakPolarHBondContact O-CA 3.36Å; W826-N829 PolarHBondContact O-N 3.15Å; W826-F830 PolarHBondContact O-N 3.48Å; W826-F830 VanDerWaalsContact O-N 3.12Å; W826-R875 VanDerWaalsContact CH2-CZ 3.43Å; W826-R875 HydrophobicContact CZ2-CG 4.39Å; W826-R875 VanDerWaalsContact CZ2-NE 3.3Å
827L64.2Low69.7Low12 Ų1257.9 Ų57.96%0.06329%0.29CS..G310 helixtrans-57.8-32.7-179.2-148.780.7000112.7M797 L824 Q825 N829 W837 L844 I851M797-L827 HydrophobicContact CE-CD1 3.62Å; M797-L827 HydrophobicContact CE-CD2 3.74Å; M797-L827 HydrophobicContact CE-CG 3.99Å; M797-L827 HydrophobicContact SD-CD1 3.33Å; M797-L827 WeakPolarHBondContact SD-CD1 2.99Å; M797-L827 HydrophobicContact SD-CD2 3.8Å; M797-L827 HydrophobicContact SD-CG 4.12Å; L824-L827 HydrophobicContact CD2-CD1 3.77Å; L824-L827 WeakPolarHBondContact O-CB 3.37Å; L824-L827 PolarHBondContact O-N 3.2Å; Q825-L827 VanDerWaalsContact C-N 3.29Å; Q825-L827 PolarHBondContact O-N 3Å; L827-N829 VanDerWaalsContact C-N 3.34Å; L827-W837 HydrophobicContact CD1-CZ3 4.12Å; L827-L844 HydrophobicContact CD2-CD1 3.38Å; L827-I851 HydrophobicContact CB-CD1 3.88Å; L827-I851 HydrophobicContact CD2-CD1 4.5Å
828R60.3Low68.9Low150 Ų15059.6 Ų59.657%0.56630%0.304SS*.G310 helixtrans-75.4-21.9173.4-74.2-171.7170.6-169.3-4.8113.3W826 D848 F849W826-R828 PolarHBondContact O-N 3.23Å; R828-D848 IonicContact NH2-OD1 3.73Å; R828-F849 PolarHBondContact NH2-O 2.92Å
829N61Low68.5Low125 Ų12565.2 Ų65.267%0.66833%0.326SS*.G310 helixtrans-103.89.4-174.4-64.3-16.8000113.3W826 L827 K831W826-N829 HydrophobicContact CB-CB 4.45Å; W826-N829 CarbonylContact O-C 3.35Å; W826-N829 WeakPolarHBondContact O-CA 3.36Å; W826-N829 PolarHBondContact O-N 3.15Å; L827-N829 VanDerWaalsContact C-N 3.34Å; N829-K831 PolarHBondContact O-N 3.02Å
830F61.3Low68.6Low56 Ų5665.9 Ų65.925%0.24633%0.328CS..  trans-70.5100.7179.6-151.1-89.9000109.1W826 N832 P833W826-F830 PolarHBondContact O-N 3.48Å; W826-F830 VanDerWaalsContact O-N 3.12Å; F830-N832 VanDerWaalsContact C-N 3.33Å; F830-N832 WeakPolarHBondContact CE1-O 3.38Å; F830-N832 PolarHBondContact O-N 3.24Å; F830-P833 HydrophobicContact CD1-CB 3.83Å; F830-P833 HydrophobicContact CE1-CB 4.39Å
831K53.2Low68.7Low197 Ų19765.7 Ų65.786%0.85733%0.325SS*.SBendtrans-64.4-32.2-167.8-70.5-171.7176.7-175.80113.8N829N829-K831 PolarHBondContact O-N 3.02Å
832N57.2Low68.8Low119 Ų11968.1 Ų68.164%0.63634%0.337SS*.SBendtrans-14282-179.3-67.7-30.2000110.7F830F830-N832 VanDerWaalsContact C-N 3.33Å; F830-N832 WeakPolarHBondContact CE1-O 3.38Å; F830-N832 PolarHBondContact O-N 3.24Å
833P64.1Low69.5Low34 Ų3470.9 Ų70.922%0.22134%0.343CS..  trans-75.5127.8176.733.5-37.1000110.2F830 W837 A838 Q841F830-P833 HydrophobicContact CD1-CB 3.83Å; F830-P833 HydrophobicContact CE1-CB 4.39Å; P833-W837 HydrophobicContact CB-CB 4.23Å; P833-A838 HydrophobicContact CB-CB 4.33Å; P833-A838 HydrophobicContact CG-CB 4.43Å; P833-A838 WeakPolarHBondContact O-CB 3.45Å; P833-Q841 VanDerWaalsContact CB-OE1 3.27Å
834D60.9Low70.4Confident78 Ų7871.1 Ų71.142%0.41734%0.344SS..  trans-112.2148.1178.7-69.5-39.3000112.9Q836 W837 S958D834-Q836 PolarHBondContact O-N 3.42Å; D834-Q836 VanDerWaalsContact O-N 3.15Å; D834-W837 PolarHBondContact O-N 3.46Å; D834-W837 VanDerWaalsContact O-N 3.11Å; D834-S958 WeakPolarHBondContact OD2-CB 3.5Å
835G75.3Confident71Confident55 Ų5577.8 Ų77.857%0.56738%0.375SS*.THydrogen-bonded Turntrans57.3-114.1170.800000114W837 R839G835-W837 VanDerWaalsContact C-N 3.33Å; G835-W837 PolarHBondContact O-N 3.05Å; G835-R839 PolarHBondContact O-N 3.14Å
836Q78.4Confident71.6Confident47 Ų4778.2 Ų78.222%0.2238%0.377CS..Hα-helixtrans-67.3-33.4-178.8-177168.563.400112.3D834 R839 W840D834-Q836 PolarHBondContact O-N 3.42Å; D834-Q836 VanDerWaalsContact O-N 3.15Å; Q836-R839 PolarHBondContact O-N 3.17Å; Q836-W840 HydrophobicContact CG-CD2 3.71Å; Q836-W840 HydrophobicContact CG-CE3 4.15Å; Q836-W840 HydrophobicContact CG-CG 4.25Å; Q836-W840 HydrophobicContact CG-CH2 4.06Å; Q836-W840 HydrophobicContact CG-CZ2 3.56Å; Q836-W840 HydrophobicContact CG-CZ3 4.33Å; Q836-W840 WeakPolarHBondContact O-CB 3.48Å; Q836-W840 PolarHBondContact O-N 3.05Å
837W76.5Confident72.7Confident27 Ų2774.9 Ų74.910%0.10236%0.364CS..Hα-helixtrans-66-42.3178.6-73.395.2000111.5T793 R794 M797 L827 P833 D834 G835 R839 W840 Q841 Q872 C873T793-W837 HydrophobicContact CG2-CH2 3.87Å; T793-W837 HydrophobicContact CG2-CZ2 4.27Å; R794-W837 HydrophobicContact CB-CZ2 4.1Å; R794-W837 HydrophobicContact CG-CZ2 4.38Å; M797-W837 HydrophobicContact CB-CH2 3.69Å; M797-W837 HydrophobicContact CB-CZ3 3.8Å; M797-W837 HydrophobicContact CE-CE3 4.3Å; M797-W837 HydrophobicContact CE-CZ3 4.27Å; M797-W837 HydrophobicContact CG-CE3 4.1Å; M797-W837 HydrophobicContact CG-CH2 3.91Å; M797-W837 HydrophobicContact CG-CZ3 3.5Å; M797-W837 HydrophobicContact SD-CZ3 4.05Å; L827-W837 HydrophobicContact CD1-CZ3 4.12Å; P833-W837 HydrophobicContact CB-CB 4.23Å; D834-W837 PolarHBondContact O-N 3.46Å; D834-W837 VanDerWaalsContact O-N 3.11Å; G835-W837 VanDerWaalsContact C-N 3.33Å; G835-W837 PolarHBondContact O-N 3.05Å; W837-R839 PolarHBondContact O-N 3.31Å; W837-W840 PolarHBondContact O-N 3.38Å; W837-Q841 WeakPolarHBondContact O-CB 3.35Å; W837-Q841 PolarHBondContact O-N 3.47Å; W837-Q872 PolarHBondContact NE1-O 3.38Å; W837-C873 HydrophobicContact CZ2-CB 3.67Å
838A74.7Confident73.8Confident36 Ų3677.8 Ų77.830%0.29838%0.38SS..Hα-helixtrans-58.6-48.2176.300000111.9P833 W840 Q841 Q842P833-A838 HydrophobicContact CB-CB 4.33Å; P833-A838 HydrophobicContact CG-CB 4.43Å; P833-A838 WeakPolarHBondContact O-CB 3.45Å; A838-W840 VanDerWaalsContact C-N 3.32Å; A838-W840 PolarHBondContact O-N 3.12Å; A838-Q841 PolarHBondContact O-N 3.15Å; A838-Q842 PolarHBondContact O-N 3.29Å
839R79.6Confident75.1Confident143 Ų14371 Ų7154%0.5436%0.355SS..Hα-helixtrans-63.1-38.3178-71.7175.953-149.1-7.1112.6G835 Q836 W837 K843G835-R839 PolarHBondContact O-N 3.14Å; Q836-R839 PolarHBondContact O-N 3.17Å; W837-R839 PolarHBondContact O-N 3.31Å; R839-K843 PolarHBondContact O-N 3.29Å
840W84.9Confident76.4Confident16 Ų1668.3 Ų68.36%0.06134%0.343CS..Hα-helixtrans-69.3-40.7176.2-74.6-8.6000111.9Y790 R794 M797 L798 I801 Q836 W837 A838 K843 L844Y790-W840 HydrophobicContact CE2-CH2 4.4Å; R794-W840 HydrophobicContact CG-CH2 3.87Å; R794-W840 HydrophobicContact CG-CZ3 3.86Å; M797-W840 HydrophobicContact CB-CE3 4.14Å; M797-W840 HydrophobicContact CB-CZ3 3.88Å; M797-W840 HydrophobicContact CE-CB 3.78Å; M797-W840 HydrophobicContact CE-CE3 4.34Å; M797-W840 HydrophobicContact CG-CD2 4.29Å; M797-W840 HydrophobicContact CG-CE3 3.3Å; M797-W840 HydrophobicContact CG-CZ3 3.57Å; L798-W840 HydrophobicContact CB-CH2 3.94Å; L798-W840 HydrophobicContact CB-CZ2 4.32Å; L798-W840 HydrophobicContact CD1-CH2 4.25Å; L798-W840 HydrophobicContact CD1-CZ2 3.79Å; I801-W840 HydrophobicContact CD1-CB 3.55Å; I801-W840 HydrophobicContact CD1-CG 3.93Å; I801-W840 VanDerWaalsContact CD1-O 3.23Å; I801-W840 WeakPolarHBondContact CD1-O 3.45Å; I801-W840 HydrophobicContact CG1-CB 3.83Å; I801-W840 HydrophobicContact CG1-CD2 4.03Å; I801-W840 HydrophobicContact CG1-CG 3.74Å; I801-W840 HydrophobicContact CG2-CG 4.48Å; Q836-W840 HydrophobicContact CG-CD2 3.71Å; Q836-W840 HydrophobicContact CG-CE3 4.15Å; Q836-W840 HydrophobicContact CG-CG 4.25Å; Q836-W840 HydrophobicContact CG-CH2 4.06Å; Q836-W840 HydrophobicContact CG-CZ2 3.56Å; Q836-W840 HydrophobicContact CG-CZ3 4.33Å; Q836-W840 WeakPolarHBondContact O-CB 3.48Å; Q836-W840 PolarHBondContact O-N 3.05Å; W837-W840 PolarHBondContact O-N 3.38Å; A838-W840 VanDerWaalsContact C-N 3.32Å; A838-W840 PolarHBondContact O-N 3.12Å; W840-K843 WeakPolarHBondContact O-CB 3.27Å; W840-K843 PolarHBondContact O-N 3.43Å; W840-L844 WeakPolarHBondContact O-CG 3.38Å; W840-L844 PolarHBondContact O-N 3.45Å
841Q78.5Confident77.5Confident39 Ų3966.9 Ų66.918%0.18234%0.337CS..Hα-helixtrans-63.9-43175.5-172.3167.7-15.600111.7P833 W837 A838 K843 L844 Q845P833-Q841 VanDerWaalsContact CB-OE1 3.27Å; W837-Q841 WeakPolarHBondContact O-CB 3.35Å; W837-Q841 PolarHBondContact O-N 3.47Å; A838-Q841 PolarHBondContact O-N 3.15Å; Q841-K843 VanDerWaalsContact C-N 3.29Å; Q841-K843 PolarHBondContact O-N 2.73Å; Q841-L844 PolarHBondContact O-N 3.02Å; Q841-Q845 WeakPolarHBondContact O-CG 3.48Å; Q841-Q845 PolarHBondContact O-N 3.41Å
842Q78.7Confident79Confident75 Ų7560.8 Ų60.835%0.3531%0.312SS..Hα-helixtrans-57.1-42.1173-172.6-174.81.600111.8N151 A838 L844 Q845N151-Q842 PolarHBondContact ND2-OE1 3.39Å; A838-Q842 PolarHBondContact O-N 3.29Å; Q842-L844 VanDerWaalsContact C-N 3.33Å; Q842-L844 PolarHBondContact O-N 3.19Å; Q842-Q845 PolarHBondContact O-N 3.13Å
843K82.1Confident80Confident80 Ų8058.9 Ų58.935%0.34830%0.299SS..Hα-helixtrans-64.7-34.1174.6-79.6-164.3174.1-154.20113.2I801 E805 R839 W840 Q841 Q846 Y847I801-K843 HydrophobicContact CD1-CB 4.46Å; I801-K843 HydrophobicContact CG2-CD 4.45Å; E805-K843 IonicContact OE1-NZ 3.53Å; E805-K843 PolarHBondContact OE1-NZ 2.89Å; E805-K843 IonicContact OE2-NZ 2.7Å; E805-K843 PolarHBondContact OE2-NZ 2.88Å; R839-K843 PolarHBondContact O-N 3.29Å; W840-K843 WeakPolarHBondContact O-CB 3.27Å; W840-K843 PolarHBondContact O-N 3.43Å; Q841-K843 VanDerWaalsContact C-N 3.29Å; Q841-K843 PolarHBondContact O-N 2.73Å; K843-Q846 VanDerWaalsContact O-CG 3.27Å; K843-Q846 WeakPolarHBondContact O-CG 3.28Å; K843-Q846 PolarHBondContact O-NE2 3.47Å; K843-Y847 WeakPolarHBondContact O-CD2 3.45Å; K843-Y847 WeakPolarHBondContact O-CE2 3.39Å
844L85.2Confident80.2Confident8 Ų863.6 Ų63.64%0.04231%0.312CS..Hα-helixtrans-81.1-25.6180-69.4174.5000112.9M797 V800 I801 V804 L827 W840 Q841 Q842 Q846 Y847 F849M797-L844 HydrophobicContact CE-CD1 3.58Å; M797-L844 HydrophobicContact SD-CD1 4.23Å; V800-L844 HydrophobicContact CG1-CD1 4.13Å; V800-L844 HydrophobicContact CG1-CD2 4.08Å; I801-L844 HydrophobicContact CD1-CD1 3.56Å; I801-L844 HydrophobicContact CD1-CD2 3.82Å; I801-L844 HydrophobicContact CD1-CG 3.39Å; I801-L844 HydrophobicContact CG1-CD1 4.39Å; V804-L844 HydrophobicContact CB-CD2 4.16Å; V804-L844 HydrophobicContact CG1-CD2 4.01Å; V804-L844 HydrophobicContact CG2-CD2 4.15Å; L827-L844 HydrophobicContact CD2-CD1 3.38Å; W840-L844 WeakPolarHBondContact O-CG 3.38Å; W840-L844 PolarHBondContact O-N 3.45Å; Q841-L844 PolarHBondContact O-N 3.02Å; Q842-L844 VanDerWaalsContact C-N 3.33Å; Q842-L844 PolarHBondContact O-N 3.19Å; L844-Q846 PolarHBondContact O-N 3.5Å; L844-Q846 VanDerWaalsContact O-N 3.14Å; L844-Y847 PolarHBondContact O-N 2.86Å; L844-F849 HydrophobicContact CB-CE1 4.08Å; L844-F849 HydrophobicContact CB-CZ 4.1Å; L844-F849 HydrophobicContact CD1-CZ 4.4Å
845Q81.9Confident80Confident141 Ų14163.5 Ų63.566%0.65932%0.323SS*.THydrogen-bonded Turntrans-60.4-21.5178.4-80.5172.3-8.700113.9Q841 Q842 Y847Q841-Q845 WeakPolarHBondContact O-CG 3.48Å; Q841-Q845 PolarHBondContact O-N 3.41Å; Q842-Q845 PolarHBondContact O-N 3.13Å; Q845-Y847 PolarHBondContact O-N 3.38Å
846Q82Confident78.9Confident115 Ų11562 Ų6254%0.53731%0.307SS..THydrogen-bonded Turntrans-75.2-3.4176.178-167-1.300113.9K843 L844K843-Q846 VanDerWaalsContact O-CG 3.27Å; K843-Q846 WeakPolarHBondContact O-CG 3.28Å; K843-Q846 PolarHBondContact O-NE2 3.47Å; L844-Q846 PolarHBondContact O-N 3.5Å; L844-Q846 VanDerWaalsContact O-N 3.14Å
847Y86.8Confident77.2Confident19 Ų1965.9 Ų65.98%0.07534%0.339CS..SBendtrans-121.1142.4-176.1-60-80.6000111.4V804 R808 L811 F815 K843 L844 Q845V804-Y847 HydrophobicContact CG1-CD1 4.05Å; V804-Y847 HydrophobicContact CG1-CD2 3.4Å; V804-Y847 HydrophobicContact CG1-CE1 3.89Å; V804-Y847 HydrophobicContact CG1-CE2 3.22Å; V804-Y847 HydrophobicContact CG1-CG 3.81Å; V804-Y847 VanDerWaalsContact CG1-CZ 3.48Å; V804-Y847 PolarHBondContact O-OH 3.22Å; R808-Y847 HydrophobicContact CG-CE1 4.24Å; L811-Y847 WeakPolarHBondContact O-CD1 3.18Å; F815-Y847 HydrophobicContact CE1-CD1 4.38Å; F815-Y847 HydrophobicContact CE1-CG 4.44Å; K843-Y847 WeakPolarHBondContact O-CD2 3.45Å; K843-Y847 WeakPolarHBondContact O-CE2 3.39Å; L844-Y847 PolarHBondContact O-N 2.86Å; Q845-Y847 PolarHBondContact O-N 3.38Å
848D86.8Confident75.7Confident74 Ų7475.1 Ų75.140%0.39637%0.374SS..  trans-96.3114.9169.7-174.422000110.6K814 F815 R828K814-D848 WeakPolarHBondContact CA-O 3.41Å; K814-D848 HydrophobicContact CB-CB 4.48Å; K814-D848 WeakPolarHBondContact CD-OD2 3.36Å; K814-D848 VanDerWaalsContact CG-OD2 3.31Å; K814-D848 WeakPolarHBondContact CG-OD2 3.41Å; F815-D848 WeakPolarHBondContact CD1-O 3.49Å; F815-D848 PolarHBondContact N-O 3.5Å; F815-D848 VanDerWaalsContact N-O 3.1Å; R828-D848 IonicContact NH2-OD1 3.73Å
849F88.9Confident74.1Confident8 Ų877.6 Ų77.64%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-147.7150.8179.761.8-82.8000113.1F815 L817 R828 L844 I851F815-F849 HydrophobicContact CD1-CB 3.99Å; F815-F849 HydrophobicContact CD2-CB 3.84Å; F815-F849 HydrophobicContact CE1-CB 3.74Å; F815-F849 HydrophobicContact CE1-CD1 4.32Å; F815-F849 HydrophobicContact CE1-CG 4.38Å; F815-F849 HydrophobicContact CE2-CB 3.56Å; F815-F849 HydrophobicContact CE2-CG 4.15Å; F815-F849 HydrophobicContact CG-CB 4.04Å; F815-F849 HydrophobicContact CZ-CB 3.51Å; F815-F849 HydrophobicContact CZ-CD1 4Å; F815-F849 AromaticContact CZ-CG 3.89Å; F815-F849 HydrophobicContact CZ-CG 3.89Å; F815-F849 WeakPolarHBondContact O-CA 3.37Å; L817-F849 HydrophobicContact CB-CD2 3.99Å; L817-F849 HydrophobicContact CD2-CD2 3.97Å; L817-F849 HydrophobicContact CD2-CE2 3.92Å; R828-F849 PolarHBondContact NH2-O 2.92Å; L844-F849 HydrophobicContact CB-CE1 4.08Å; L844-F849 HydrophobicContact CB-CZ 4.1Å; L844-F849 HydrophobicContact CD1-CZ 4.4Å; F849-I851 HydrophobicContact CD2-CD1 4.43Å; F849-I851 HydrophobicContact CD2-CG1 3.78Å; F849-I851 HydrophobicContact CE2-CD1 3.78Å; F849-I851 HydrophobicContact CE2-CG1 3.64Å
850V86.6Confident71.7Confident68 Ų6875.5 Ų75.541%0.41239%0.393SS..EExtended strand (participates in β ladder)trans-106.7130.5172.1-179.20000108.5F815 L817F815-V850 PolarHBondContact O-N 3.35Å; L817-V850 PolarHBondContact N-O 2.69Å
851I85.7Confident69.4Low26 Ų2680.7 Ų80.713%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-91.5116.9179.6-51.4178.8000109L817 T819 L824 Q825 L827 F849L817-I851 HydrophobicContact CD2-CG1 4.27Å; L817-I851 CarbonylContact O-C 3.52Å; L817-I851 WeakPolarHBondContact O-CA 3.31Å; T819-I851 HydrophobicContact CG2-CG2 4.29Å; L824-I851 WeakPolarHBondContact O-CD1 3.38Å; Q825-I851 HydrophobicContact CG-CG2 4.31Å; L827-I851 HydrophobicContact CB-CD1 3.88Å; L827-I851 HydrophobicContact CD2-CD1 4.5Å; F849-I851 HydrophobicContact CD2-CD1 4.43Å; F849-I851 HydrophobicContact CD2-CG1 3.78Å; F849-I851 HydrophobicContact CE2-CD1 3.78Å; F849-I851 HydrophobicContact CE2-CG1 3.64Å
852E83.5Confident67.4Low68 Ų6881.4 Ų81.432%0.31843%0.429SS..EExtended strand (participates in β ladder)trans-106.7127.8172.5-75.1-175.9-17500109.7K816 L817 R818 T819K816-E852 VanDerWaalsContact CD-CD 3.46Å; K816-E852 HydrophobicContact CD-CG 4.44Å; K816-E852 WeakPolarHBondContact CD-OE2 3.24Å; K816-E852 VanDerWaalsContact CE-CD 3.45Å; K816-E852 WeakPolarHBondContact CE-OE1 3.15Å; K816-E852 WeakPolarHBondContact CE-OE2 3.09Å; K816-E852 HydrophobicContact CG-CG 4.2Å; K816-E852 VanDerWaalsContact NZ-CD 3.27Å; K816-E852 IonicContact NZ-OE1 3.82Å; K816-E852 PolarHBondContact NZ-OE1 3.31Å; K816-E852 IonicContact NZ-OE2 3.84Å; K816-E852 PolarHBondContact NZ-OE2 2.84Å; K816-E852 VanDerWaalsContact NZ-OE2 3.14Å; L817-E852 PolarHBondContact O-N 3.46Å; R818-E852 WeakPolarHBondContact CA-O 3.36Å; R818-E852 HydrophobicContact CG-CB 3.88Å; R818-E852 IonicContact NE-OE2 2.72Å; R818-E852 PolarHBondContact NE-OE2 3.48Å; T819-E852 PolarHBondContact N-O 2.91Å
853H78.8Confident65.4Low79 Ų7982.3 Ų82.337%0.36644%0.436SS..EExtended strand (participates in β ladder)trans-81.4126.5170.8177.5-114.3000108.7T819 D820 G822 Q825T819-H853 WeakPolarHBondContact O-CA 3.31Å; T819-H853 PolarHBondContact O-CD2 3.02Å; D820-H853 PolarHBondContact O-CD2 3.29Å; D820-H853 PolarHBondContact O-NE2 2.62Å; G822-H853 PolarHBondContact N-CD2 3.41Å; G822-H853 VanDerWaalsContact N-CD2 3.28Å; Q825-H853 HydrophobicContact CG-CB 4.24Å; Q825-H853 VanDerWaalsContact NE2-CB 3.26Å
854R67.8Low63.2Low134 Ų13483.6 Ų83.651%0.50645%0.45SS..  trans-115.2100.2174.2-171.3178-171168.46.8107.8D752 E773 T819 D820 G856D752-R854 IonicContact OD1-NH1 2.81Å; E773-R854 IonicContact OE2-NH1 3.86Å; T819-R854 PolarHBondContact O-N 2.92Å; D820-R854 VanDerWaalsContact CA-O 3.28Å; D820-R854 WeakPolarHBondContact CA-O 3.32Å; R854-G856 PolarHBondContact O-N 3.36Å; R854-G856 VanDerWaalsContact O-N 3.09Å
855A57.4Low60.8Low76 Ų7689.1 Ų89.163%0.62848%0.479SS*.  trans-52.8119.6-178.800000111
856G52Low58.8Low24 Ų2484.3 Ų84.325%0.24746%0.461CS..  trans-61.4141.6171.100000110.4R854 R858R854-G856 PolarHBondContact O-N 3.36Å; R854-G856 VanDerWaalsContact O-N 3.09Å; G856-R858 PolarHBondContact O-N 2.77Å
857S43.7Very low56.8Low127 Ų12786.2 Ų86.289%0.88846%0.464SS*.THydrogen-bonded Turntrans-67.821.3-176.649.50000115
858R44.7Very low54.7Low222 Ų22290.4 Ų90.484%0.83849%0.486SS*.THydrogen-bonded Turntrans-141.420.5-173.5-71.9-170.4172.1-170-3.1115.7G856G856-R858 PolarHBondContact O-N 2.77Å
859H41.4Very low52.7Low87 Ų8790.5 Ų90.540%0.40349%0.491SS..  trans-117.236.3-161.9-66150.7000118D820 N861 V862D820-H859 IonicContact OD2-CE1 3.03Å; H859-N861 PolarHBondContact O-N 3.44Å; H859-V862 HydrophobicContact CB-CB 3.96Å; H859-V862 HydrophobicContact CB-CG2 3.48Å; H859-V862 VanDerWaalsContact CB-CG2 3.48Å; H859-V862 WeakPolarHBondContact CD2-CG2 3.4Å; H859-V862 VanDerWaalsContact CG-CG2 3.43Å; H859-V862 PolarHBondContact O-N 3.04Å
860A28.7Very low50.7Low100 Ų10091.5 Ų91.583%0.82650%0.498SS*.THydrogen-bonded Turntrans-64.3-17.9166.800000113.5
861N36.3Very low49.2Very low125 Ų12596.1 Ų96.167%0.66851%0.513SS*.THydrogen-bonded Turntrans-102.11.7-175.3-58.4-2000113.5H859H859-N861 PolarHBondContact O-N 3.44Å
862V36.6Very low47.9Very low54 Ų5498.2 Ų98.233%0.32752%0.522SS..Hα-helixtrans-89.2-16.2-167.2175.20000113.8H859 T864 S866H859-V862 HydrophobicContact CB-CB 3.96Å; H859-V862 HydrophobicContact CB-CG2 3.48Å; H859-V862 VanDerWaalsContact CB-CG2 3.48Å; H859-V862 WeakPolarHBondContact CD2-CG2 3.4Å; H859-V862 VanDerWaalsContact CG-CG2 3.43Å; H859-V862 PolarHBondContact O-N 3.04Å; V862-T864 VanDerWaalsContact C-N 3.27Å; V862-T864 PolarHBondContact O-N 3.23Å; V862-S866 VanDerWaalsContact O-CB 3.3Å; V862-S866 WeakPolarHBondContact O-CB 3.43Å; V862-S866 PolarHBondContact O-N 2.93Å; V862-S866 PolarHBondContact O-OG 2.87Å
863D37.2Very low46.5Very low93 Ų9395.3 Ų95.350%0.49751%0.509SS..Hα-helixtrans-64.8-34.7176.3-164.217.4000111.2S866 R867D863-S866 PolarHBondContact O-OG 3.44Å; D863-R867 WeakPolarHBondContact O-CD 3.24Å; D863-R867 WeakPolarHBondContact O-CG 3.39Å; D863-R867 PolarHBondContact O-NE 2.89Å; D863-R867 IonicContact OD1-CZ 2.73Å; D863-R867 IonicContact OD1-NE 3.38Å; D863-R867 PolarHBondContact OD1-NE 3.33Å; D863-R867 IonicContact OD1-NH2 3.79Å; D863-R867 PolarHBondContact OD1-NH2 2.97Å; D863-R867 IonicContact OD2-CZ 3.78Å; D863-R867 IonicContact OD2-NE 2.86Å; D863-R867 IonicContact OD2-NH2 2.86Å; D863-R867 PolarHBondContact OD2-NH2 2.93Å
864T34.1Very low45.1Very low107 Ų10794.1 Ų94.166%0.65652%0.519SS*.Hα-helixtrans-79.8-32.5-177.2-18.30000114.2V862V862-T864 VanDerWaalsContact C-N 3.27Å; V862-T864 PolarHBondContact O-N 3.23Å
865L36.4Very low44.2Very low124 Ų12490.3 Ų90.365%0.64950%0.504SS*.Hα-helixtrans-83.2-26.6178.9-70.9170.8000113.1R867 I868L865-R867 PolarHBondContact O-N 2.74Å; L865-I868 HydrophobicContact CD2-CD1 3.93Å; L865-I868 PolarHBondContact O-N 2.89Å
866S38.5Very low43.3Very low40 Ų4091.9 Ų91.928%0.2851%0.511SS..THydrogen-bonded Turntrans-71.6-13.4176.679.70000113.7V862 D863 R875V862-S866 VanDerWaalsContact O-CB 3.3Å; V862-S866 WeakPolarHBondContact O-CB 3.43Å; V862-S866 PolarHBondContact O-N 2.93Å; V862-S866 PolarHBondContact O-OG 2.87Å; D863-S866 PolarHBondContact O-OG 3.44Å; S866-R875 PolarHBondContact O-NH1 3.09Å
867R41.3Very low42.5Very low156 Ų15692.2 Ų92.259%0.58951%0.514SS*.THydrogen-bonded Turntrans-90.8-9-179.1-67.5167.4-172.1-124.24.1113.7D863 L865D863-R867 WeakPolarHBondContact O-CD 3.24Å; D863-R867 WeakPolarHBondContact O-CG 3.39Å; D863-R867 PolarHBondContact O-NE 2.89Å; D863-R867 IonicContact OD1-CZ 2.73Å; D863-R867 IonicContact OD1-NE 3.38Å; D863-R867 PolarHBondContact OD1-NE 3.33Å; D863-R867 IonicContact OD1-NH2 3.79Å; D863-R867 PolarHBondContact OD1-NH2 2.97Å; D863-R867 IonicContact OD2-CZ 3.78Å; D863-R867 IonicContact OD2-NE 2.86Å; D863-R867 IonicContact OD2-NH2 2.86Å; D863-R867 PolarHBondContact OD2-NH2 2.93Å; L865-R867 PolarHBondContact O-N 2.74Å
868I42Very low41.9Very low106 Ų10692.8 Ų92.854%0.54451%0.512SS..SBendtrans-76128176.7-58.4174.6000110.1L865 C870L865-I868 HydrophobicContact CD2-CD1 3.93Å; L865-I868 PolarHBondContact O-N 2.89Å; I868-C870 PolarHBondContact O-N 3.22Å
869P44.1Very low41.1Very low76 Ų7691.4 Ų91.449%0.49452%0.515SS..  trans-62.6102.4178.7-20.130.4000113K871 R875P869-K871 PolarHBondContact O-N 2.94Å; P869-R875 VanDerWaalsContact CA-O 3.32Å; P869-R875 WeakPolarHBondContact CA-O 3.49Å
870C48.7Very low40.5Very low29 Ų2990.4 Ų90.420%0.19653%0.529CS..  trans-81.2110.1173.5168.30000110.5C791 I868 Q872 C873 G874C791-C870 HydrophobicContact CB-CB 4.14Å; C791-C870 WeakPolarHBondContact CB-SG 3.18Å; C791-C870 WeakPolarHBondContact SG-CB 3.46Å; C791-C870 CovalentContact SG-SG 2.08Å; C791-C870 PolarHBondContact SG-SG 3.17Å; I868-C870 PolarHBondContact O-N 3.22Å; C870-Q872 PolarHBondContact O-N 3.22Å; C870-Q872 PolarHBondContact SG-N 2.9Å; C870-C873 WeakPolarHBondContact CB-SG 3.32Å; C870-C873 PolarHBondContact O-N 3.48Å; C870-C873 PolarHBondContact SG-N 2.66Å; C870-C873 VanDerWaalsContact SG-SG 3.69Å; C870-G874 PolarHBondContact O-N 3.22Å
871K54.1Low40.4Very low166 Ų16692.3 Ų92.372%0.72253%0.53SS*.THydrogen-bonded Turntrans-54.2-22.9174.4-71.3-173.4176.4-173.40114.8P869P869-K871 PolarHBondContact O-N 2.94Å
872Q57.5Low40Very low70 Ų7091.9 Ų91.933%0.32754%0.537SS..THydrogen-bonded Turntrans-92.7-16.1-176.7-62.7177.3-17.400114.5R789 Y790 W837 C870R789-Q872 PolarHBondContact O-NE2 3.45Å; R789-Q872 PolarHBondContact O-OE1 3.29Å; Y790-Q872 VanDerWaalsContact C-OE1 3.31Å; W837-Q872 PolarHBondContact NE1-O 3.38Å; C870-Q872 PolarHBondContact O-N 3.22Å; C870-Q872 PolarHBondContact SG-N 2.9Å
873C55.6Low39.6Very low6 Ų698.1 Ų98.14%0.04156%0.563CS.*THydrogen-bonded Turntrans-122.39.2-18077.50000113.8T793 W837 C870 R875T793-C873 HydrophobicContact CG2-CB 3.86Å; W837-C873 HydrophobicContact CZ2-CB 3.67Å; C870-C873 WeakPolarHBondContact CB-SG 3.32Å; C870-C873 PolarHBondContact O-N 3.48Å; C870-C873 PolarHBondContact SG-N 2.66Å; C870-C873 VanDerWaalsContact SG-SG 3.69Å; C873-R875 PolarHBondContact O-N 2.97Å
874G49.9Very low39.3Very low55 Ų5596.2 Ų96.257%0.56756%0.555SS**THydrogen-bonded Turntrans67.36.9171.200000115.7C870 S876C870-G874 PolarHBondContact O-N 3.22Å; G874-S876 PolarHBondContact O-N 3.38Å
875R47.4Very low39.1Very low54 Ų5498 Ų9820%0.20457%0.566CS.*  trans-67.899.5172.7-76.3-158.6-145.8-175.59.5109S823 W826 S866 P869 C873 G877S823-R875 PolarHBondContact OG-NH2 3.37Å; W826-R875 VanDerWaalsContact CH2-CZ 3.43Å; W826-R875 HydrophobicContact CZ2-CG 4.39Å; W826-R875 VanDerWaalsContact CZ2-NE 3.3Å; S866-R875 PolarHBondContact O-NH1 3.09Å; P869-R875 VanDerWaalsContact CA-O 3.32Å; P869-R875 WeakPolarHBondContact CA-O 3.49Å; C873-R875 PolarHBondContact O-N 2.97Å; R875-G877 PolarHBondContact O-N 3.46Å
876S39.8Very low39.2Very low109 Ų10997 Ų9776%0.76256%0.561SS**  trans-75.690.7161.643.60000107.8G874 T878G874-S876 PolarHBondContact O-N 3.38Å; S876-T878 PolarHBondContact O-N 3.1Å
877G35.1Very low39.4Very low30 Ų3098.4 Ų98.431%0.30957%0.568SS.*  trans-54.5126.816500000108.7R875 E879R875-G877 PolarHBondContact O-N 3.46Å; G877-E879 PolarHBondContact O-N 3.32Å
878T30.9Very low40Very low140 Ų14092.2 Ų92.286%0.85955%0.547SS*.SBendtrans-52.1117.616940.80000109S876S876-T878 PolarHBondContact O-N 3.1Å
879E27.3Very low40.6Very low193 Ų19391.3 Ų91.390%0.90255%0.546SS*.SBendtrans38.298.3159.9-56.7-169.4157.500117.6G877G877-E879 PolarHBondContact O-N 3.32Å
880G28.4Very low41.5Very low66 Ų6689.1 Ų89.168%0.6853%0.53SS*.  trans173.7110.3168.300000113.1
881T27.2Very low42Very low139 Ų13991 Ų9185%0.85354%0.539SS*.  trans-54.3125.9-177.333.20000116.8
882S28.3Very low42.8Very low117 Ų11785.3 Ų85.382%0.81853%0.526SS*.  trans180106.5136.238.80000115.2
883Q28Very low43.8Very low185 Ų18586.3 Ų86.386%0.86453%0.533SS*.  trans40.4119.2146.3-59.6-171.4-1.200124.3
884P30.7Very low45Very low53 Ų5394 Ų9434%0.34457%0.569SS.*  trans-90.913816732.5-27.3000114.1N886 V887P884-N886 PolarHBondContact O-N 3.03Å; P884-V887 HydrophobicContact CG-CG2 4.04Å; P884-V887 WeakPolarHBondContact O-CG2 3.39Å
885V29.7Very low46.7Very low145 Ų14595.2 Ų95.288%0.87956%0.563SS**SBendtrans-69.449.7179.8-166.20000114.4
886N38.8Very low48.7Very low102 Ų10293 Ų9355%0.54555%0.554SS.*  trans-157.537.5175.3-95.7-30.8000110.6P884 V888 R999P884-N886 PolarHBondContact O-N 3.03Å; N886-V888 PolarHBondContact O-N 3.39Å; N886-R999 PolarHBondContact O-NH1 2.81Å; N886-R999 PolarHBondContact O-NH2 2.72Å
887V43.5Very low51.1Low70 Ų7092.6 Ų92.642%0.42454%0.536SS..  trans-88.2116.5-166.9174.60000108.7P884 V889P884-V887 HydrophobicContact CG-CG2 4.04Å; P884-V887 WeakPolarHBondContact O-CG2 3.39Å; V887-V889 HydrophobicContact CB-CG2 4.41Å; V887-V889 HydrophobicContact CG1-CG2 4.1Å; V887-V889 WeakPolarHBondContact O-CG2 3.29Å; V887-V889 PolarHBondContact O-N 3.28Å
888V53.6Low53.7Low25 Ų2596.8 Ų96.815%0.15255%0.546CS..  trans-55.3102.2148.41680000104.5N886 L890 V974 Q977 F1000N886-V888 PolarHBondContact O-N 3.39Å; V888-L890 HydrophobicContact CG1-CD2 4.26Å; V888-L890 HydrophobicContact CG1-CG 4.24Å; V888-L890 PolarHBondContact O-N 2.9Å; V888-L890 VanDerWaalsContact O-N 3.11Å; V888-V974 HydrophobicContact CG1-CG1 4.46Å; V888-V974 HydrophobicContact CG1-CG2 4.35Å; V888-Q977 VanDerWaalsContact C-OE1 3.27Å; V888-Q977 HydrophobicContact CB-CB 4.46Å; V888-Q977 HydrophobicContact CG1-CB 4.06Å; V888-Q977 HydrophobicContact CG2-CB 4.08Å; V888-F1000 HydrophobicContact CB-CE2 3.65Å; V888-F1000 HydrophobicContact CB-CZ 3.72Å; V888-F1000 HydrophobicContact CG1-CE2 3.81Å; V888-F1000 HydrophobicContact CG1-CZ 3.73Å; V888-F1000 HydrophobicContact CG2-CE2 3.9Å; V888-F1000 HydrophobicContact CG2-CZ 4.48Å
889V54.7Low56.6Low88 Ų8890.2 Ų90.253%0.53351%0.506SS..  trans-76.8100.6-177.3-174.30000106V887 R973 Q977V887-V889 HydrophobicContact CB-CG2 4.41Å; V887-V889 HydrophobicContact CG1-CG2 4.1Å; V887-V889 WeakPolarHBondContact O-CG2 3.29Å; V887-V889 PolarHBondContact O-N 3.28Å; V889-R973 PolarHBondContact O-NE 2.83Å; V889-R973 PolarHBondContact O-NH2 3.23Å; V889-Q977 PolarHBondContact O-NE2 3.06Å
890L62.5Low59.7Low29 Ų2981 Ų8115%0.15246%0.463CS..PPolyproline II helixtrans-85.6148.4160.3-59.6169.7000106.7V888 M896 M970 V974 F1000V888-L890 HydrophobicContact CG1-CD2 4.26Å; V888-L890 HydrophobicContact CG1-CG 4.24Å; V888-L890 PolarHBondContact O-N 2.9Å; V888-L890 VanDerWaalsContact O-N 3.11Å; L890-M896 HydrophobicContact CB-CE 3.87Å; L890-M896 HydrophobicContact CD1-CE 3.47Å; L890-M896 VanDerWaalsContact CD1-CE 3.47Å; L890-M896 HydrophobicContact CG-CE 4.14Å; L890-M970 HydrophobicContact CB-CE 4.08Å; L890-M970 HydrophobicContact CD2-CE 3.86Å; L890-M970 HydrophobicContact CG-CE 4.43Å; L890-V974 HydrophobicContact CD1-CG2 4.01Å; L890-V974 HydrophobicContact CD2-CG2 3.52Å; L890-V974 HydrophobicContact CG-CG2 4.32Å; L890-F1000 HydrophobicContact CD1-CD1 4.15Å; L890-F1000 HydrophobicContact CD1-CE1 3.32Å; L890-F1000 HydrophobicContact CD1-CZ 3.86Å; L890-F1000 HydrophobicContact CG-CE1 4.42Å
891D60.2Low62.8Low70 Ų7080.8 Ų80.837%0.37445%0.446SS..PPolyproline II helixtrans-57.4173.5179.1-52.9-40.8000110.8D895 R973D891-D895 HydrophobicContact CB-CB 3.69Å; D891-D895 VanDerWaalsContact CB-OD2 3.22Å; D891-D895 WeakPolarHBondContact CB-OD2 3.37Å; D891-R973 IonicContact OD1-CZ 3.3Å; D891-R973 VanDerWaalsContact OD1-CZ 3.23Å; D891-R973 IonicContact OD1-NH1 2.81Å; D891-R973 PolarHBondContact OD1-NH1 3.22Å; D891-R973 IonicContact OD1-NH2 3.21Å; D891-R973 PolarHBondContact OD1-NH2 3.03Å; D891-R973 IonicContact OD2-CZ 3.74Å; D891-R973 IonicContact OD2-NH1 2.77Å; D891-R973 PolarHBondContact OD2-NH1 3.05Å; D891-R973 IonicContact OD2-NH2 3.73Å
892G69.8Low65.9Low45 Ų4579.2 Ų79.246%0.46443%0.428SS..PPolyproline II helixtrans-48.4158-171.100000113.9E894 D895 M896G892-E894 PolarHBondContact O-N 2.66Å; G892-D895 PolarHBondContact N-OD2 3.38Å; G892-D895 PolarHBondContact O-N 3.31Å; G892-M896 PolarHBondContact O-N 3.28Å; G892-M896 VanDerWaalsContact O-N 3.1Å
893L78.7Confident68.9Low91 Ų9174.4 Ų74.448%0.47639%0.394SS..Hα-helixtrans-49.5-32.9176.3-95.7147.4000112.6R897 N945 I947L893-R897 WeakPolarHBondContact O-CB 3.25Å; L893-R897 PolarHBondContact O-N 2.83Å; L893-N945 HydrophobicContact CD1-CB 4.5Å; L893-N945 HydrophobicContact CD2-CB 3.76Å; L893-I947 HydrophobicContact CD2-CD1 3.94Å; L893-I947 HydrophobicContact CD2-CG1 4.06Å; L893-I947 HydrophobicContact CD2-CG2 4.17Å
894E81.5Confident71.9Confident167 Ų16773.1 Ų73.178%0.7839%0.388SS*.Hα-helixtrans-63.9-46.7174.9-65.7-179.816400112.8G892 M896 R897 K898G892-E894 PolarHBondContact O-N 2.66Å; E894-M896 PolarHBondContact O-N 2.9Å; E894-R897 PolarHBondContact O-N 3.33Å; E894-K898 WeakPolarHBondContact O-CB 3.4Å; E894-K898 PolarHBondContact O-N 2.9Å
895D84.9Confident74.8Confident82 Ų8271.1 Ų71.144%0.43937%0.374SS..Hα-helixtrans-65.4-39.8177.9-67.3-44.7000111.8D891 G892 A899D891-D895 HydrophobicContact CB-CB 3.69Å; D891-D895 VanDerWaalsContact CB-OD2 3.22Å; D891-D895 WeakPolarHBondContact CB-OD2 3.37Å; G892-D895 PolarHBondContact N-OD2 3.38Å; G892-D895 PolarHBondContact O-N 3.31Å; D895-A899 WeakPolarHBondContact O-CB 3.29Å; D895-A899 PolarHBondContact O-N 3.37Å
896M88.3Confident77.7Confident6 Ų664.4 Ų64.43%0.0333%0.333CS..Hα-helixtrans-63.2-45174-178.256.758.900111.3L890 G892 E894 A899 Q900 I947 V964 P967 M970L890-M896 HydrophobicContact CB-CE 3.87Å; L890-M896 HydrophobicContact CD1-CE 3.47Å; L890-M896 VanDerWaalsContact CD1-CE 3.47Å; L890-M896 HydrophobicContact CG-CE 4.14Å; G892-M896 PolarHBondContact O-N 3.28Å; G892-M896 VanDerWaalsContact O-N 3.1Å; E894-M896 PolarHBondContact O-N 2.9Å; M896-A899 WeakPolarHBondContact O-CB 3.49Å; M896-A899 PolarHBondContact O-N 3.04Å; M896-Q900 WeakPolarHBondContact O-CG 3.44Å; M896-Q900 PolarHBondContact O-N 2.89Å; M896-Q900 HydrophobicContact SD-CG 4.2Å; M896-I947 HydrophobicContact CB-CG2 4.17Å; M896-I947 HydrophobicContact CG-CB 4.37Å; M896-I947 HydrophobicContact CG-CD1 4.22Å; M896-I947 HydrophobicContact CG-CG2 3.81Å; M896-V964 HydrophobicContact CE-CG1 4.43Å; M896-V964 HydrophobicContact CG-CG1 4.44Å; M896-V964 HydrophobicContact SD-CG1 4.12Å; M896-P967 HydrophobicContact SD-CG 4.2Å; M896-M970 HydrophobicContact CE-CE 3.56Å; M896-M970 HydrophobicContact CE-SD 3.42Å; M896-M970 WeakPolarHBondContact CE-SD 3.38Å; M896-M970 HydrophobicContact SD-SD 3.9Å
897R90.5Very high80.2Confident102 Ų10259.6 Ų59.639%0.38531%0.308SS..Hα-helixtrans-63.7-47178.2-176.2171.9-162.8-170.32.5111.4L893 E894 A899 Q900 L901 E914 G946 I947L893-R897 WeakPolarHBondContact O-CB 3.25Å; L893-R897 PolarHBondContact O-N 2.83Å; E894-R897 PolarHBondContact O-N 3.33Å; R897-A899 VanDerWaalsContact C-N 3.27Å; R897-A899 PolarHBondContact O-N 2.85Å; R897-Q900 PolarHBondContact O-N 2.96Å; R897-L901 HydrophobicContact CG-CD1 4.02Å; R897-L901 HydrophobicContact CG-CG 4.47Å; R897-L901 WeakPolarHBondContact O-CB 3.46Å; R897-L901 WeakPolarHBondContact O-CG 3.3Å; R897-L901 PolarHBondContact O-N 2.87Å; R897-E914 IonicContact CZ-OE1 2.81Å; R897-E914 IonicContact NE-OE1 3.72Å; R897-E914 IonicContact NH2-OE1 3.85Å; R897-E914 PolarHBondContact NH2-OE1 2.83Å; R897-E914 IonicContact NH2-OE2 2.83Å; R897-G946 VanDerWaalsContact CD-O 3.3Å; R897-G946 WeakPolarHBondContact CD-O 3.36Å; R897-G946 VanDerWaalsContact CG-O 3.31Å; R897-G946 WeakPolarHBondContact CG-O 3.44Å; R897-G946 PolarHBondContact NE-O 3.41Å; R897-G946 VanDerWaalsContact NE-O 3.16Å; R897-I947 HydrophobicContact CB-CG2 3.94Å
898K90.6Very high82.5Confident118 Ų11858 Ų5851%0.51330%0.299SS..Hα-helixtrans-55.8-44.9174-175.7176.7178.1-178.70110.6E894 Q900 L901 E902E894-K898 WeakPolarHBondContact O-CB 3.4Å; E894-K898 PolarHBondContact O-N 2.9Å; K898-Q900 PolarHBondContact O-N 2.85Å; K898-L901 PolarHBondContact O-N 3.25Å; K898-E902 WeakPolarHBondContact CE-OE1 3.47Å; K898-E902 VanDerWaalsContact CG-OE1 3.31Å; K898-E902 WeakPolarHBondContact CG-OE1 3.27Å; K898-E902 WeakPolarHBondContact O-CB 3.49Å; K898-E902 VanDerWaalsContact O-CG 3.26Å; K898-E902 WeakPolarHBondContact O-CG 3.37Å; K898-E902 PolarHBondContact O-N 3.16Å
899A91.4Very high84.2Confident1 Ų156.9 Ų56.91%0.00829%0.292CS..Hα-helixtrans-64.3-37.7176.900000114.7D895 M896 R897 D903 P967 R969 M970D895-A899 WeakPolarHBondContact O-CB 3.29Å; D895-A899 PolarHBondContact O-N 3.37Å; M896-A899 WeakPolarHBondContact O-CB 3.49Å; M896-A899 PolarHBondContact O-N 3.04Å; R897-A899 VanDerWaalsContact C-N 3.27Å; R897-A899 PolarHBondContact O-N 2.85Å; A899-D903 WeakPolarHBondContact O-CB 3.45Å; A899-D903 PolarHBondContact O-N 3.09Å; A899-P967 HydrophobicContact CB-CB 4.3Å; A899-P967 HydrophobicContact CB-CG 3.5Å; A899-P967 VanDerWaalsContact O-CB 3.32Å; A899-P967 WeakPolarHBondContact O-CB 3.48Å; A899-R969 VanDerWaalsContact CA-CZ 3.46Å; A899-R969 HydrophobicContact CB-CG 4.47Å; A899-R969 VanDerWaalsContact CB-NH2 3.26Å; A899-R969 VanDerWaalsContact N-NH2 3.16Å; A899-M970 HydrophobicContact CB-CG 4.37Å; A899-M970 HydrophobicContact CB-SD 3.72Å
900Q93.4Very high86Confident0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-72.5-37.5176.1-73.9-174.8-23.500112.2M896 R897 K898 D903 V906 G907 L910 I947 L948 V965 P967M896-Q900 WeakPolarHBondContact O-CG 3.44Å; M896-Q900 PolarHBondContact O-N 2.89Å; M896-Q900 HydrophobicContact SD-CG 4.2Å; R897-Q900 PolarHBondContact O-N 2.96Å; K898-Q900 PolarHBondContact O-N 2.85Å; Q900-D903 PolarHBondContact O-N 3.3Å; Q900-V906 HydrophobicContact CB-CG1 3.91Å; Q900-V906 HydrophobicContact CG-CG1 3.88Å; Q900-G907 WeakPolarHBondContact O-CA 3.49Å; Q900-G907 PolarHBondContact O-N 3.03Å; Q900-L910 HydrophobicContact CB-CD2 3.83Å; Q900-I947 VanDerWaalsContact OE1-CB 3.23Å; Q900-L948 PolarHBondContact NE2-O 3.46Å; Q900-L948 VanDerWaalsContact NE2-O 3.07Å; Q900-V965 PolarHBondContact NE2-O 3.14Å; Q900-P967 HydrophobicContact CG-CG 4.17Å
901L92Very high87.3Confident62 Ų6257.1 Ų57.133%0.32529%0.285SS..Hα-helixtrans-69.6-33.7177.6-74.5171.3000112.9R897 K898 L910 K911R897-L901 HydrophobicContact CG-CD1 4.02Å; R897-L901 HydrophobicContact CG-CG 4.47Å; R897-L901 WeakPolarHBondContact O-CB 3.46Å; R897-L901 WeakPolarHBondContact O-CG 3.3Å; R897-L901 PolarHBondContact O-N 2.87Å; K898-L901 PolarHBondContact O-N 3.25Å; L901-L910 HydrophobicContact CD2-CD2 3.87Å; L901-L910 HydrophobicContact CD2-CG 4.37Å; L901-L910 HydrophobicContact CG-CD2 3.99Å; L901-K911 HydrophobicContact CD2-CG 4.12Å
902E92.2Very high88.7Confident105 Ų10553.8 Ų53.849%0.49127%0.267SS..Hα-helixtrans-80.8-12.7177.3-70.3168.4172.700113.1K898 R969K898-E902 WeakPolarHBondContact CE-OE1 3.47Å; K898-E902 VanDerWaalsContact CG-OE1 3.31Å; K898-E902 WeakPolarHBondContact CG-OE1 3.27Å; K898-E902 WeakPolarHBondContact O-CB 3.49Å; K898-E902 VanDerWaalsContact O-CG 3.26Å; K898-E902 WeakPolarHBondContact O-CG 3.37Å; K898-E902 PolarHBondContact O-N 3.16Å; E902-R969 IonicContact OE2-CZ 3.82Å; E902-R969 IonicContact OE2-NH1 3.25Å; E902-R969 PolarHBondContact OE2-NH1 2.97Å; E902-R969 IonicContact OE2-NH2 2.74Å; E902-R969 PolarHBondContact OE2-NH2 3.14Å
903D92.3Very high89.6Confident16 Ų1654 Ų549%0.08626%0.255CS..SBendtrans-79.8128.3177.8-174-75.2000111.5A899 Q900 D905 V906 G907 P967 K968A899-D903 WeakPolarHBondContact O-CB 3.45Å; A899-D903 PolarHBondContact O-N 3.09Å; Q900-D903 PolarHBondContact O-N 3.3Å; D903-D905 PolarHBondContact O-N 2.8Å; D903-D905 PolarHBondContact OD1-N 3.2Å; D903-V906 HydrophobicContact CB-CB 4.02Å; D903-V906 HydrophobicContact CB-CG2 4.46Å; D903-V906 PolarHBondContact OD1-N 3.08Å; D903-G907 VanDerWaalsContact O-CA 3.31Å; D903-G907 WeakPolarHBondContact O-CA 3.4Å; D903-G907 PolarHBondContact O-N 3.35Å; D903-P967 HydrophobicContact CB-CB 3.83Å; D903-P967 WeakPolarHBondContact OD2-CA 3.33Å; D903-K968 WeakPolarHBondContact OD2-CB 2.95Å; D903-K968 PolarHBondContact OD2-N 2.66Å
904E90.8Very high90Very high158 Ų15853.3 Ų53.374%0.73825%0.249SC*.THydrogen-bonded Turntrans-60.6-28.3-175.5-62.7179.9156.400114.1P908E904-P908 WeakPolarHBondContact O-CD 3.17Å; E904-P908 VanDerWaalsContact O-CG 3.29Å; E904-P908 WeakPolarHBondContact O-CG 3.28Å
905D90.9Very high90.3Very high12 Ų1248.6 Ų48.66%0.06424%0.239CC..THydrogen-bonded Turntrans-101.8-42.4-175.3-64.6-42.4000111.9D903 V909 S928 A930 K968D903-D905 PolarHBondContact O-N 2.8Å; D903-D905 PolarHBondContact OD1-N 3.2Å; D905-V909 WeakPolarHBondContact O-CG2 3.37Å; D905-S928 WeakPolarHBondContact OD1-CB 3.49Å; D905-S928 PolarHBondContact OD1-OG 2.93Å; D905-S928 PolarHBondContact OD2-OG 2.79Å; D905-A930 HydrophobicContact CB-CB 4.14Å; D905-A930 WeakPolarHBondContact OD2-CB 3.33Å; D905-K968 WeakPolarHBondContact OD2-CE 3.15Å; D905-K968 IonicContact OD2-NZ 3.68Å; D905-K968 PolarHBondContact OD2-NZ 2.95Å
906V91.9Very high90.1Very high4 Ų447.9 Ų47.92%0.02425%0.251CS..Hα-helixtrans-77.7-37.9-179.8-178.80000111.2Q900 D903 V909 L910 L934 L948 V965Q900-V906 HydrophobicContact CB-CG1 3.91Å; Q900-V906 HydrophobicContact CG-CG1 3.88Å; D903-V906 HydrophobicContact CB-CB 4.02Å; D903-V906 HydrophobicContact CB-CG2 4.46Å; D903-V906 PolarHBondContact OD1-N 3.08Å; V906-V909 PolarHBondContact O-N 3.24Å; V906-L910 WeakPolarHBondContact O-CB 3.24Å; V906-L910 PolarHBondContact O-N 2.88Å; V906-L934 HydrophobicContact CG2-CD1 4.16Å; V906-L948 HydrophobicContact CG1-CB 4.33Å; V906-L948 HydrophobicContact CG1-CD2 3.82Å; V906-V965 HydrophobicContact CG1-CG1 4.16Å; V906-V965 HydrophobicContact CG2-CG1 3.92Å
907G91.5Very high89.7Confident1 Ų151 Ų511%0.0127%0.266CS..Hα-helixtrans-60.4-49.8-175.100000114.1Q900 D903 V909 L910 K911Q900-G907 WeakPolarHBondContact O-CA 3.49Å; Q900-G907 PolarHBondContact O-N 3.03Å; D903-G907 VanDerWaalsContact O-CA 3.31Å; D903-G907 WeakPolarHBondContact O-CA 3.4Å; D903-G907 PolarHBondContact O-N 3.35Å; G907-V909 VanDerWaalsContact C-N 3.3Å; G907-V909 PolarHBondContact O-N 3.05Å; G907-L910 PolarHBondContact O-N 3.1Å; G907-K911 WeakPolarHBondContact O-CG 3.3Å; G907-K911 PolarHBondContact O-N 2.55Å
908P89.8Confident88.8Confident37 Ų3747.8 Ų47.824%0.2426%0.262CS..Hα-helixtrans-60.7-36.6174.4-25.935.8000113.3E904 A912E904-P908 WeakPolarHBondContact O-CD 3.17Å; E904-P908 VanDerWaalsContact O-CG 3.29Å; E904-P908 WeakPolarHBondContact O-CG 3.28Å; P908-A912 VanDerWaalsContact O-CB 3.24Å; P908-A912 WeakPolarHBondContact O-CB 3.4Å; P908-A912 PolarHBondContact O-N 3.47Å
909V90.6Very high87.9Confident0 Ų046.4 Ų46.40%026%0.257CS..Hα-helixtrans-71.5-38.8178.91780000111.1D905 V906 G907 A912 K913 L922 K931 L934 M935 W938 L941 L948D905-V909 WeakPolarHBondContact O-CG2 3.37Å; V906-V909 PolarHBondContact O-N 3.24Å; G907-V909 VanDerWaalsContact C-N 3.3Å; G907-V909 PolarHBondContact O-N 3.05Å; V909-A912 PolarHBondContact O-N 2.86Å; V909-K913 WeakPolarHBondContact O-CB 3.41Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.19Å; V909-L922 HydrophobicContact CG2-CD2 4.23Å; V909-K931 HydrophobicContact CG2-CG 4.2Å; V909-L934 HydrophobicContact CG2-CB 4.28Å; V909-L934 HydrophobicContact CG2-CD1 4.34Å; V909-M935 HydrophobicContact CG2-SD 4.43Å; V909-W938 HydrophobicContact CG1-CZ3 4.08Å; V909-L941 HydrophobicContact CG1-CD1 3.82Å; V909-L948 HydrophobicContact CB-CD2 4.24Å; V909-L948 HydrophobicContact CG1-CD1 4.33Å; V909-L948 HydrophobicContact CG1-CD2 3.8Å
910L91.4Very high86.9Confident0 Ų052.1 Ų52.10%028%0.283CS..Hα-helixtrans-62.4-51.9173.6176.358.1000110.8Q900 L901 V906 G907 A912 K913 E914 V943 L948Q900-L910 HydrophobicContact CB-CD2 3.83Å; L901-L910 HydrophobicContact CD2-CD2 3.87Å; L901-L910 HydrophobicContact CD2-CG 4.37Å; L901-L910 HydrophobicContact CG-CD2 3.99Å; V906-L910 WeakPolarHBondContact O-CB 3.24Å; V906-L910 PolarHBondContact O-N 2.88Å; G907-L910 PolarHBondContact O-N 3.1Å; L910-A912 VanDerWaalsContact C-N 3.29Å; L910-A912 PolarHBondContact O-N 3.47Å; L910-K913 PolarHBondContact O-N 3.49Å; L910-E914 HydrophobicContact CD1-CG 3.97Å; L910-E914 HydrophobicContact CG-CG 4.48Å; L910-E914 WeakPolarHBondContact O-CB 3.47Å; L910-E914 WeakPolarHBondContact O-CG 3.38Å; L910-E914 PolarHBondContact O-N 2.84Å; L910-V943 HydrophobicContact CD1-CG1 3.93Å; L910-V943 HydrophobicContact CD1-CG2 3.9Å; L910-L948 HydrophobicContact CB-CB 4.48Å; L910-L948 HydrophobicContact CD1-CB 4.17Å
911K90.2Very high85.6Confident123 Ų12356.7 Ų56.754%0.53531%0.305SS..Hα-helixtrans-57.8-41177.2-71176.8-177.2178.10112.2L901 G907 E914 A915L901-K911 HydrophobicContact CD2-CG 4.12Å; G907-K911 WeakPolarHBondContact O-CG 3.3Å; G907-K911 PolarHBondContact O-N 2.55Å; K911-E914 PolarHBondContact O-N 3.27Å; K911-A915 VanDerWaalsContact O-CB 3.28Å; K911-A915 WeakPolarHBondContact O-CB 3.34Å; K911-A915 PolarHBondContact O-N 3.47Å
912A89.5Confident84.5Confident0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-66.1-44.5177.500000112.8P908 V909 L910 A915 G916 M917 L922 W938P908-A912 VanDerWaalsContact O-CB 3.24Å; P908-A912 WeakPolarHBondContact O-CB 3.4Å; P908-A912 PolarHBondContact O-N 3.47Å; V909-A912 PolarHBondContact O-N 2.86Å; L910-A912 VanDerWaalsContact C-N 3.29Å; L910-A912 PolarHBondContact O-N 3.47Å; A912-A915 PolarHBondContact O-N 3.42Å; A912-G916 PolarHBondContact O-N 2.9Å; A912-M917 HydrophobicContact CB-CB 4.37Å; A912-M917 HydrophobicContact CB-SD 4.32Å; A912-M917 PolarHBondContact O-N 2.93Å; A912-L922 HydrophobicContact CB-CB 4.45Å; A912-L922 HydrophobicContact CB-CD1 3.52Å; A912-L922 HydrophobicContact CB-CD2 3.66Å; A912-L922 HydrophobicContact CB-CG 4.06Å; A912-W938 HydrophobicContact CB-CH2 3.82Å; A912-W938 HydrophobicContact CB-CZ3 4.44Å
913K89.4Confident83.2Confident48 Ų4851.5 Ų51.521%0.20929%0.285CS..Hα-helixtrans-68.3-33.1176-80.3-74.6-174.3172.20112.7V909 L910 W938 L941 V943 L948V909-K913 WeakPolarHBondContact O-CB 3.41Å; V909-K913 WeakPolarHBondContact O-CG 3.22Å; V909-K913 PolarHBondContact O-N 3.19Å; L910-K913 PolarHBondContact O-N 3.49Å; K913-W938 HydrophobicContact CD-CH2 4.09Å; K913-W938 HydrophobicContact CD-CZ2 3.83Å; K913-W938 WeakPolarHBondContact CE-O 3.33Å; K913-W938 HydrophobicContact CG-CH2 3.86Å; K913-W938 HydrophobicContact CG-CZ2 4.14Å; K913-W938 HydrophobicContact CG-CZ3 4.18Å; K913-W938 PolarHBondContact NZ-O 3.11Å; K913-L941 WeakPolarHBondContact CE-O 3.38Å; K913-L941 PolarHBondContact NZ-O 3.35Å; K913-V943 HydrophobicContact CB-CG2 3.57Å; K913-L948 HydrophobicContact CB-CD1 4.39Å; K913-L948 HydrophobicContact CG-CD1 4.21Å
914E87.7Confident81.8Confident77 Ų7761.3 Ų61.336%0.3632%0.32SS..Hα-helixtrans-70.4-39.7174.1-77-175.9149.600112.1R897 L910 K911 G916 V943R897-E914 IonicContact CZ-OE1 2.81Å; R897-E914 IonicContact NE-OE1 3.72Å; R897-E914 IonicContact NH2-OE1 3.85Å; R897-E914 PolarHBondContact NH2-OE1 2.83Å; R897-E914 IonicContact NH2-OE2 2.83Å; L910-E914 HydrophobicContact CD1-CG 3.97Å; L910-E914 HydrophobicContact CG-CG 4.48Å; L910-E914 WeakPolarHBondContact O-CB 3.47Å; L910-E914 WeakPolarHBondContact O-CG 3.38Å; L910-E914 PolarHBondContact O-N 2.84Å; K911-E914 PolarHBondContact O-N 3.27Å; E914-G916 PolarHBondContact O-N 3.47Å; E914-V943 HydrophobicContact CG-CB 4.43Å; E914-V943 HydrophobicContact CG-CG1 3.95Å; E914-V943 HydrophobicContact CG-CG2 3.9Å
915A86.6Confident80.6Confident68 Ų6858.7 Ų58.756%0.56231%0.308SS*.THydrogen-bonded Turntrans-76.6-1.617800000114.1K911 A912 M917K911-A915 VanDerWaalsContact O-CB 3.28Å; K911-A915 WeakPolarHBondContact O-CB 3.34Å; K911-A915 PolarHBondContact O-N 3.47Å; A912-A915 PolarHBondContact O-N 3.42Å; A915-M917 HydrophobicContact CB-CE 3.59Å; A915-M917 HydrophobicContact CB-CG 4.07Å; A915-M917 PolarHBondContact O-N 3.11Å
916G81.8Confident79.2Confident67 Ų6770 Ų7069%0.69135%0.35SS*.THydrogen-bonded Turntrans67.815.7-176.400000114.2A912 E914A912-G916 PolarHBondContact O-N 2.9Å; E914-G916 PolarHBondContact O-N 3.47Å
917M79.2Confident78Confident72 Ų7274 Ų7436%0.35536%0.364SS..  trans-60.9143.8178.5-70.2-177.4-130.300110.6A912 A915 E921 L922 W938A912-M917 HydrophobicContact CB-CB 4.37Å; A912-M917 HydrophobicContact CB-SD 4.32Å; A912-M917 PolarHBondContact O-N 2.93Å; A915-M917 HydrophobicContact CB-CE 3.59Å; A915-M917 HydrophobicContact CB-CG 4.07Å; A915-M917 PolarHBondContact O-N 3.11Å; M917-E921 VanDerWaalsContact CA-OE2 3.32Å; M917-E921 WeakPolarHBondContact CA-OE2 3.4Å; M917-E921 HydrophobicContact CB-CB 4.48Å; M917-E921 WeakPolarHBondContact CB-OE2 3.32Å; M917-L922 HydrophobicContact SD-CD1 4.48Å; M917-W938 WeakPolarHBondContact O-CZ2 3.45Å
918A72.1Confident77.4Confident35 Ų3575.9 Ų75.929%0.28938%0.378SS..  trans-76.4155174.900000111.4H920 E921A918-H920 WeakPolarHBondContact CB-CE1 3.31Å; A918-H920 WeakPolarHBondContact CB-ND1 3.33Å; A918-H920 PolarHBondContact O-N 3.44Å; A918-E921 HydrophobicContact CB-CG 4.44Å; A918-E921 PolarHBondContact N-OE2 3.48Å; A918-E921 PolarHBondContact O-N 3.14Å
919E70.5Confident77.1Confident88 Ų8880.5 Ų80.541%0.41140%0.401SS..Hα-helixtrans-50.1-39.1-179.2-175.6177168.500112.7E921 S923 M935 W938E919-E921 VanDerWaalsContact C-N 3.3Å; E919-E921 PolarHBondContact O-N 3.41Å; E919-S923 PolarHBondContact O-N 3.33Å; E919-M935 HydrophobicContact CB-CE 4.46Å; E919-M935 HydrophobicContact CG-CE 3.59Å; E919-M935 VanDerWaalsContact O-CE 3.25Å; E919-M935 WeakPolarHBondContact O-CE 3.32Å; E919-W938 HydrophobicContact CB-CD2 4.05Å; E919-W938 HydrophobicContact CB-CG 3.86Å; E919-W938 HydrophobicContact CG-CB 4.09Å; E919-W938 HydrophobicContact CG-CD2 4.17Å; E919-W938 HydrophobicContact CG-CG 3.89Å
920H70.1Confident76.8Confident121 Ų12181.6 Ų81.656%0.5641%0.41SS*.Hα-helixtrans-73.4-17.2-176.668.2-95.4000113.8A918 S923A918-H920 WeakPolarHBondContact CB-CE1 3.31Å; A918-H920 WeakPolarHBondContact CB-ND1 3.33Å; A918-H920 PolarHBondContact O-N 3.44Å; H920-S923 WeakPolarHBondContact O-CB 3.36Å
921E66.9Low76.4Confident97 Ų9782.1 Ų82.145%0.45341%0.412SS..Hα-helixtrans-80.2-40.8179.2-66.5177.4159.200111.2M917 A918 E919 S923M917-E921 VanDerWaalsContact CA-OE2 3.32Å; M917-E921 WeakPolarHBondContact CA-OE2 3.4Å; M917-E921 HydrophobicContact CB-CB 4.48Å; M917-E921 WeakPolarHBondContact CB-OE2 3.32Å; A918-E921 HydrophobicContact CB-CG 4.44Å; A918-E921 PolarHBondContact N-OE2 3.48Å; A918-E921 PolarHBondContact O-N 3.14Å; E919-E921 VanDerWaalsContact C-N 3.3Å; E919-E921 PolarHBondContact O-N 3.41Å; E921-S923 PolarHBondContact O-N 2.84Å
922L69.8Low76.1Confident10 Ų1078.6 Ų78.65%0.05240%0.399CS..Hα-helixtrans-72.2-15.5174.3-147.172000112.8V909 A912 M917 R924 Q925 M935 W938V909-L922 HydrophobicContact CG2-CD2 4.23Å; A912-L922 HydrophobicContact CB-CB 4.45Å; A912-L922 HydrophobicContact CB-CD1 3.52Å; A912-L922 HydrophobicContact CB-CD2 3.66Å; A912-L922 HydrophobicContact CB-CG 4.06Å; M917-L922 HydrophobicContact SD-CD1 4.48Å; L922-R924 PolarHBondContact O-N 2.79Å; L922-Q925 PolarHBondContact O-N 3.45Å; L922-M935 HydrophobicContact CB-CE 4.11Å; L922-M935 HydrophobicContact CD2-SD 3.96Å; L922-W938 HydrophobicContact CD2-CZ3 4.35Å
923S64.3Low75.9Confident48 Ų4882 Ų8234%0.33642%0.417SS..THydrogen-bonded Turntrans-56.8-31.4-179.6178.20000113.8E919 H920 E921 Q925 R927E919-S923 PolarHBondContact O-N 3.33Å; H920-S923 WeakPolarHBondContact O-CB 3.36Å; E921-S923 PolarHBondContact O-N 2.84Å; S923-Q925 VanDerWaalsContact C-N 3.28Å; S923-Q925 PolarHBondContact O-N 3.38Å; S923-R927 PolarHBondContact O-NE 3.2Å; S923-R927 PolarHBondContact OG-NH2 2.98Å
924R63.5Low75.8Confident221 Ų22179.8 Ų79.883%0.83441%0.407SS*.THydrogen-bonded Turntrans-75.8-9.9-170.7-61.2-175.1-170.6172.83.9114.5L922L922-R924 PolarHBondContact O-N 2.79Å
925Q65.1Low75.7Confident104 Ų10476.3 Ų76.349%0.48639%0.391SS..SBendtrans-90.3152.1179.5-66.4177.6-10.400111.7L922 S923 R927L922-Q925 PolarHBondContact O-N 3.45Å; S923-Q925 VanDerWaalsContact C-N 3.28Å; S923-Q925 PolarHBondContact O-N 3.38Å; Q925-R927 WeakPolarHBondContact O-CG 3.17Å; Q925-R927 PolarHBondContact O-N 2.87Å
926R61.2Low75.5Confident249 Ų24979 Ų7994%0.9440%0.395SS*.  trans-54.2126.3172.6-154.1176.2-175-173.21.4109.4
927R65.8Low75.6Confident87 Ų8776.7 Ų76.733%0.32837%0.367SS..  trans-110.2129.8-172.1-51.5-174-174.5-177.8-0.2110.8S923 Q925 N932S923-R927 PolarHBondContact O-NE 3.2Å; S923-R927 PolarHBondContact OG-NH2 2.98Å; Q925-R927 WeakPolarHBondContact O-CG 3.17Å; Q925-R927 PolarHBondContact O-N 2.87Å; R927-N932 WeakPolarHBondContact CD-OD1 3.36Å; R927-N932 PolarHBondContact NH1-OD1 3.2Å; R927-N932 VanDerWaalsContact NH1-OD1 3.08Å
928S80.3Confident76Confident42 Ų4274.4 Ų74.429%0.29435%0.354SS..  trans-75.6164.1162.876.20000110.3D905 A930 K931 N932D905-S928 WeakPolarHBondContact OD1-CB 3.49Å; D905-S928 PolarHBondContact OD1-OG 2.93Å; D905-S928 PolarHBondContact OD2-OG 2.79Å; S928-A930 VanDerWaalsContact C-N 3.27Å; S928-A930 PolarHBondContact O-N 2.91Å; S928-A930 PolarHBondContact OG-N 3.37Å; S928-K931 PolarHBondContact O-N 3.12Å; S928-K931 WeakPolarHBondContact OG-CB 3.38Å; S928-K931 PolarHBondContact OG-N 3.47Å; S928-N932 PolarHBondContact O-N 2.85Å
929N82.2Confident76.6Confident134 Ų13480 Ų8072%0.71737%0.374SS*.Hα-helixtrans-60.5-37173.8-75-21.3000112.4N932 L933N929-N932 PolarHBondContact O-N 3.49Å; N929-L933 WeakPolarHBondContact O-CG 3.11Å; N929-L933 PolarHBondContact O-N 3.45Å
930A84.3Confident77.5Confident23 Ų2378 Ų7819%0.1936%0.363CS..Hα-helixtrans-66.2-45176.300000111.3D905 S928 N932 L933 L934 P1003D905-A930 HydrophobicContact CB-CB 4.14Å; D905-A930 WeakPolarHBondContact OD2-CB 3.33Å; S928-A930 VanDerWaalsContact C-N 3.27Å; S928-A930 PolarHBondContact O-N 2.91Å; S928-A930 PolarHBondContact OG-N 3.37Å; A930-N932 VanDerWaalsContact C-N 3.34Å; A930-N932 PolarHBondContact O-N 3.04Å; A930-L933 PolarHBondContact O-N 3.33Å; A930-L934 WeakPolarHBondContact O-CG 3.17Å; A930-L934 PolarHBondContact O-N 2.59Å; A930-P1003 HydrophobicContact CB-CB 3.95Å; A930-P1003 HydrophobicContact CB-CG 4.01Å; A930-P1003 WeakPolarHBondContact O-CG 3.24Å
931K84Confident78.5Confident10 Ų1072.6 Ų72.64%0.04334%0.338CS..Hα-helixtrans-59.3-44.1173.3-170173.5178.5-179.30110.6V909 S928 L933 L934 M935V909-K931 HydrophobicContact CG2-CG 4.2Å; S928-K931 PolarHBondContact O-N 3.12Å; S928-K931 WeakPolarHBondContact OG-CB 3.38Å; S928-K931 PolarHBondContact OG-N 3.47Å; K931-L933 PolarHBondContact O-N 2.88Å; K931-L934 WeakPolarHBondContact O-CB 3.34Å; K931-L934 PolarHBondContact O-N 3.13Å; K931-M935 VanDerWaalsContact O-CG 3.25Å; K931-M935 WeakPolarHBondContact O-CG 3.29Å; K931-M935 PolarHBondContact O-N 3.16Å
932N84.1Confident79.7Confident50 Ų5069.2 Ų69.227%0.26733%0.327SS..Hα-helixtrans-59.4-43.5175.2-87-31.9000113.6R927 S928 N929 A930 L934 M935 L936R927-N932 WeakPolarHBondContact CD-OD1 3.36Å; R927-N932 PolarHBondContact NH1-OD1 3.2Å; R927-N932 VanDerWaalsContact NH1-OD1 3.08Å; S928-N932 PolarHBondContact O-N 2.85Å; N929-N932 PolarHBondContact O-N 3.49Å; A930-N932 VanDerWaalsContact C-N 3.34Å; A930-N932 PolarHBondContact O-N 3.04Å; N932-L934 VanDerWaalsContact C-N 3.31Å; N932-L934 PolarHBondContact O-N 3.43Å; N932-M935 PolarHBondContact O-N 2.87Å; N932-L936 WeakPolarHBondContact O-CG 3.45Å; N932-L936 PolarHBondContact O-N 3.22Å
933L84.9Confident80.7Confident72 Ų7271 Ų7138%0.37734%0.338SS..Hα-helixtrans-68.1-30.9177.5-75.5168.5000112.7N929 A930 K931 L936 N937 P1003N929-L933 WeakPolarHBondContact O-CG 3.11Å; N929-L933 PolarHBondContact O-N 3.45Å; A930-L933 PolarHBondContact O-N 3.33Å; K931-L933 PolarHBondContact O-N 2.88Å; L933-L936 HydrophobicContact CD2-CD1 4.22Å; L933-N937 PolarHBondContact O-N 2.83Å; L933-N937 PolarHBondContact O-ND2 2.92Å; L933-P1003 HydrophobicContact CB-CB 3.87Å; L933-P1003 HydrophobicContact CB-CG 4.03Å; L933-P1003 HydrophobicContact CD1-CB 3.76Å; L933-P1003 HydrophobicContact CG-CB 4.48Å
934L88Confident81.8Confident1 Ų174.9 Ų74.91%0.00535%0.345CS..Hα-helixtrans-67-46.3169-70.4167.7000110.7V906 V909 A930 K931 N932 L936 N937 W938 L941 V965 Y1001 P1003V906-L934 HydrophobicContact CG2-CD1 4.16Å; V909-L934 HydrophobicContact CG2-CB 4.28Å; V909-L934 HydrophobicContact CG2-CD1 4.34Å; A930-L934 WeakPolarHBondContact O-CG 3.17Å; A930-L934 PolarHBondContact O-N 2.59Å; K931-L934 WeakPolarHBondContact O-CB 3.34Å; K931-L934 PolarHBondContact O-N 3.13Å; N932-L934 VanDerWaalsContact C-N 3.31Å; N932-L934 PolarHBondContact O-N 3.43Å; L934-L936 PolarHBondContact O-N 3.33Å; L934-N937 CarbonylContact O-C 3.44Å; L934-N937 VanDerWaalsContact O-C 3.31Å; L934-N937 WeakPolarHBondContact O-CA 3.44Å; L934-N937 PolarHBondContact O-N 2.87Å; L934-W938 PolarHBondContact O-N 3.41Å; L934-L941 HydrophobicContact CB-CD1 4.1Å; L934-L941 HydrophobicContact CD2-CD1 4.28Å; L934-L941 HydrophobicContact CD2-CD2 4.37Å; L934-L941 WeakPolarHBondContact O-CD1 3.25Å; L934-V965 HydrophobicContact CD2-CG1 3.87Å; L934-Y1001 HydrophobicContact CD2-CD1 4.43Å; L934-Y1001 HydrophobicContact CD2-CE1 3.93Å; L934-P1003 HydrophobicContact CD1-CG 4.45Å; L934-P1003 HydrophobicContact CD2-CG 4.3Å; L934-P1003 HydrophobicContact CG-CG 3.88Å
935M84.3Confident82.8Confident3 Ų370.6 Ų70.62%0.01534%0.339CS..Hα-helixtrans-60.6-40.9176.2-64.9-57-69.900112.6V909 E919 L922 K931 N932 N937 W938V909-M935 HydrophobicContact CG2-SD 4.43Å; E919-M935 HydrophobicContact CB-CE 4.46Å; E919-M935 HydrophobicContact CG-CE 3.59Å; E919-M935 VanDerWaalsContact O-CE 3.25Å; E919-M935 WeakPolarHBondContact O-CE 3.32Å; L922-M935 HydrophobicContact CB-CE 4.11Å; L922-M935 HydrophobicContact CD2-SD 3.96Å; K931-M935 VanDerWaalsContact O-CG 3.25Å; K931-M935 WeakPolarHBondContact O-CG 3.29Å; K931-M935 PolarHBondContact O-N 3.16Å; N932-M935 PolarHBondContact O-N 2.87Å; M935-N937 PolarHBondContact O-N 2.94Å; M935-N937 VanDerWaalsContact O-N 3.1Å; M935-W938 HydrophobicContact CE-CD2 4.46Å; M935-W938 HydrophobicContact CE-CE3 3.81Å; M935-W938 HydrophobicContact CE-CZ3 4.02Å; M935-W938 WeakPolarHBondContact O-CA 3.11Å; M935-W938 WeakPolarHBondContact O-CB 3.26Å; M935-W938 PolarHBondContact O-N 3.44Å; M935-W938 HydrophobicContact SD-CE3 3.53Å; M935-W938 VanDerWaalsContact SD-CE3 3.53Å; M935-W938 HydrophobicContact SD-CZ3 3.64Å
936L82.6Confident83.8Confident124 Ų12466.3 Ų66.365%0.64932%0.323SS*.THydrogen-bonded Turntrans-61.2-22.5174-77.2166.5000113.2N932 L933 L934N932-L936 WeakPolarHBondContact O-CG 3.45Å; N932-L936 PolarHBondContact O-N 3.22Å; L933-L936 HydrophobicContact CD2-CD1 4.22Å; L934-L936 PolarHBondContact O-N 3.33Å
937N84.4Confident85.2Confident20 Ų2055.1 Ų55.111%0.10728%0.282CS..THydrogen-bonded Turntrans-100.716.9173.7-72.2-91.2000112L933 L934 M935 H939 R940 L941 R950 Y1001L933-N937 PolarHBondContact O-N 2.83Å; L933-N937 PolarHBondContact O-ND2 2.92Å; L934-N937 CarbonylContact O-C 3.44Å; L934-N937 VanDerWaalsContact O-C 3.31Å; L934-N937 WeakPolarHBondContact O-CA 3.44Å; L934-N937 PolarHBondContact O-N 2.87Å; M935-N937 PolarHBondContact O-N 2.94Å; M935-N937 VanDerWaalsContact O-N 3.1Å; N937-H939 VanDerWaalsContact C-N 3.27Å; N937-H939 PolarHBondContact O-N 2.92Å; N937-R940 HydrophobicContact CB-CB 4.46Å; N937-R940 CarbonylContact O-C 3.31Å; N937-R940 WeakPolarHBondContact O-CA 3.45Å; N937-R940 WeakPolarHBondContact O-CB 3.37Å; N937-R940 PolarHBondContact O-N 3.39Å; N937-L941 WeakPolarHBondContact O-CG 3.46Å; N937-L941 PolarHBondContact O-N 3.44Å; N937-R950 VanDerWaalsContact OD1-CZ 3.29Å; N937-R950 PolarHBondContact OD1-NE 2.83Å; N937-R950 PolarHBondContact OD1-NH2 3.02Å; N937-Y1001 PolarHBondContact ND2-OH 2.82Å
938W87Confident86.6Confident23 Ų2351 Ų519%0.08727%0.266CS..G310 helixtrans-51.8-44.1-174.4-174.6-96.6000112.7V909 A912 K913 M917 E919 L922 L934 M935 R940 L941V909-W938 HydrophobicContact CG1-CZ3 4.08Å; A912-W938 HydrophobicContact CB-CH2 3.82Å; A912-W938 HydrophobicContact CB-CZ3 4.44Å; K913-W938 HydrophobicContact CD-CH2 4.09Å; K913-W938 HydrophobicContact CD-CZ2 3.83Å; K913-W938 WeakPolarHBondContact CE-O 3.33Å; K913-W938 HydrophobicContact CG-CH2 3.86Å; K913-W938 HydrophobicContact CG-CZ2 4.14Å; K913-W938 HydrophobicContact CG-CZ3 4.18Å; K913-W938 PolarHBondContact NZ-O 3.11Å; M917-W938 WeakPolarHBondContact O-CZ2 3.45Å; E919-W938 HydrophobicContact CB-CD2 4.05Å; E919-W938 HydrophobicContact CB-CG 3.86Å; E919-W938 HydrophobicContact CG-CB 4.09Å; E919-W938 HydrophobicContact CG-CD2 4.17Å; E919-W938 HydrophobicContact CG-CG 3.89Å; L922-W938 HydrophobicContact CD2-CZ3 4.35Å; L934-W938 PolarHBondContact O-N 3.41Å; M935-W938 HydrophobicContact CE-CD2 4.46Å; M935-W938 HydrophobicContact CE-CE3 3.81Å; M935-W938 HydrophobicContact CE-CZ3 4.02Å; M935-W938 WeakPolarHBondContact O-CA 3.11Å; M935-W938 WeakPolarHBondContact O-CB 3.26Å; M935-W938 PolarHBondContact O-N 3.44Å; M935-W938 HydrophobicContact SD-CE3 3.53Å; M935-W938 VanDerWaalsContact SD-CE3 3.53Å; M935-W938 HydrophobicContact SD-CZ3 3.64Å; W938-R940 PolarHBondContact O-N 2.9Å; W938-L941 PolarHBondContact O-N 2.92Å; W938-L941 VanDerWaalsContact O-N 3.13Å
939H86.2Confident87.2Confident152 Ų15249.5 Ų49.570%0.70426%0.255SS*.G310 helixtrans-64.9-18.6176.569.6-83.7000113.9N937N937-H939 VanDerWaalsContact C-N 3.27Å; N937-H939 PolarHBondContact O-N 2.92Å
940R89.2Confident87.7Confident47 Ų4744.5 Ų44.518%0.17723%0.226CC..G310 helixtrans-99-13.5176.8-51.617970.9163.97.5112.1N937 W938 R950 K951 F953N937-R940 HydrophobicContact CB-CB 4.46Å; N937-R940 CarbonylContact O-C 3.31Å; N937-R940 WeakPolarHBondContact O-CA 3.45Å; N937-R940 WeakPolarHBondContact O-CB 3.37Å; N937-R940 PolarHBondContact O-N 3.39Å; W938-R940 PolarHBondContact O-N 2.9Å; R940-R950 HydrophobicContact CB-CG 4.1Å; R940-R950 CarbonylContact O-C 3.49Å; R940-R950 WeakPolarHBondContact O-CA 3.3Å; R940-K951 HydrophobicContact CB-CB 4.25Å; R940-K951 VanDerWaalsContact CZ-O 3.27Å; R940-K951 PolarHBondContact NE-O 2.9Å; R940-K951 PolarHBondContact NH2-O 3.09Å; R940-K951 WeakPolarHBondContact O-CB 3.4Å; R940-K951 PolarHBondContact O-N 2.93Å; R940-F953 VanDerWaalsContact NH2-CD2 3.32Å
941L91.5Very high87.9Confident7 Ų746.3 Ų46.34%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-86.5137.8-179.4-69.1177.3000111.4V909 K913 L934 N937 W938 L948 V949 R950 V965V909-L941 HydrophobicContact CG1-CD1 3.82Å; K913-L941 WeakPolarHBondContact CE-O 3.38Å; K913-L941 PolarHBondContact NZ-O 3.35Å; L934-L941 HydrophobicContact CB-CD1 4.1Å; L934-L941 HydrophobicContact CD2-CD1 4.28Å; L934-L941 HydrophobicContact CD2-CD2 4.37Å; L934-L941 WeakPolarHBondContact O-CD1 3.25Å; N937-L941 WeakPolarHBondContact O-CG 3.46Å; N937-L941 PolarHBondContact O-N 3.44Å; W938-L941 PolarHBondContact O-N 2.92Å; W938-L941 VanDerWaalsContact O-N 3.13Å; L941-L948 HydrophobicContact CB-CD1 4.45Å; L941-L948 HydrophobicContact CD2-CD2 4.47Å; L941-L948 HydrophobicContact CD2-CG 4.4Å; L941-V949 WeakPolarHBondContact CA-O 3.5Å; L941-R950 HydrophobicContact CD2-CB 3.87Å; L941-R950 HydrophobicContact CD2-CG 4.27Å; L941-V965 HydrophobicContact CD2-CG2 3.91Å
942A90.9Very high88Confident27 Ų2747.7 Ų47.722%0.22324%0.235CC..EExtended strand (participates in β ladder)trans-143.9158.6174.900000110.4V949 W962A942-V949 HydrophobicContact CB-CG2 4.27Å; A942-V949 PolarHBondContact N-O 3.01Å; A942-V949 VanDerWaalsContact O-CG2 3.26Å; A942-V949 WeakPolarHBondContact O-CG2 3.37Å; A942-V949 PolarHBondContact O-N 2.82Å; A942-W962 HydrophobicContact CB-CH2 3.68Å; A942-W962 HydrophobicContact CB-CZ3 3.69Å
943V90.8Very high87.8Confident48 Ų4850.1 Ų50.129%0.29124%0.243SC..EExtended strand (participates in β ladder)trans-96.9126169-171.40000107.8L910 K913 E914 I947L910-V943 HydrophobicContact CD1-CG1 3.93Å; L910-V943 HydrophobicContact CD1-CG2 3.9Å; K913-V943 HydrophobicContact CB-CG2 3.57Å; E914-V943 HydrophobicContact CG-CB 4.43Å; E914-V943 HydrophobicContact CG-CG1 3.95Å; E914-V943 HydrophobicContact CG-CG2 3.9Å; V943-I947 WeakPolarHBondContact CA-O 3.47Å
944R87.4Confident87.1Confident128 Ų12847.5 Ų47.548%0.48323%0.231SC..EExtended strand (participates in β ladder)trans-132.5128.9173.7-61.8-167.885.6-168.33108.5G946 I947 V949R944-G946 PolarHBondContact O-N 2.99Å; R944-I947 PolarHBondContact N-O 3.32Å; R944-I947 WeakPolarHBondContact O-CG1 3.46Å; R944-I947 PolarHBondContact O-N 3.07Å; R944-I947 VanDerWaalsContact O-N 3.11Å; R944-V949 HydrophobicContact CB-CG2 4.05Å; R944-V949 HydrophobicContact CG-CG2 3.67Å
945N83.7Confident86.1Confident131 Ų13151.3 Ų51.370%0.70126%0.262SS*.THydrogen-bonded Turntrans52.338.9-177.2-55.4-17.6000113.5L893 I947L893-N945 HydrophobicContact CD1-CB 4.5Å; L893-N945 HydrophobicContact CD2-CB 3.76Å; N945-I947 VanDerWaalsContact C-N 3.27Å; N945-I947 PolarHBondContact O-N 3.24Å
946G86.5Confident84.9Confident15 Ų1556.2 Ų56.216%0.15529%0.289CS..THydrogen-bonded Turntrans75.74.1179.900000115.9R897 R944R897-G946 VanDerWaalsContact CD-O 3.3Å; R897-G946 WeakPolarHBondContact CD-O 3.36Å; R897-G946 VanDerWaalsContact CG-O 3.31Å; R897-G946 WeakPolarHBondContact CG-O 3.44Å; R897-G946 PolarHBondContact NE-O 3.41Å; R897-G946 VanDerWaalsContact NE-O 3.16Å; R944-G946 PolarHBondContact O-N 2.99Å
947I91.9Very high83.5Confident14 Ų1460 Ų607%0.07230%0.296CS..EExtended strand (participates in β ladder)trans-118.7151.2177.762164.3000112.2L893 M896 R897 Q900 V943 R944 N945 V949 V964L893-I947 HydrophobicContact CD2-CD1 3.94Å; L893-I947 HydrophobicContact CD2-CG1 4.06Å; L893-I947 HydrophobicContact CD2-CG2 4.17Å; M896-I947 HydrophobicContact CB-CG2 4.17Å; M896-I947 HydrophobicContact CG-CB 4.37Å; M896-I947 HydrophobicContact CG-CD1 4.22Å; M896-I947 HydrophobicContact CG-CG2 3.81Å; R897-I947 HydrophobicContact CB-CG2 3.94Å; Q900-I947 VanDerWaalsContact OE1-CB 3.23Å; V943-I947 WeakPolarHBondContact CA-O 3.47Å; R944-I947 PolarHBondContact N-O 3.32Å; R944-I947 WeakPolarHBondContact O-CG1 3.46Å; R944-I947 PolarHBondContact O-N 3.07Å; R944-I947 VanDerWaalsContact O-N 3.11Å; N945-I947 VanDerWaalsContact C-N 3.27Å; N945-I947 PolarHBondContact O-N 3.24Å; I947-V949 HydrophobicContact CD1-CG1 4.41Å; I947-V949 HydrophobicContact CG1-CG1 4.38Å; I947-V964 HydrophobicContact CD1-CG1 4.3Å; I947-V964 HydrophobicContact CD1-CG2 4.31Å
948L93.6Very high82.3Confident0 Ų061 Ų610%031%0.305CS..EExtended strand (participates in β ladder)trans-77127.6176.2-165.870.1000111.2Q900 V906 V909 L910 K913 L941 V965Q900-L948 PolarHBondContact NE2-O 3.46Å; Q900-L948 VanDerWaalsContact NE2-O 3.07Å; V906-L948 HydrophobicContact CG1-CB 4.33Å; V906-L948 HydrophobicContact CG1-CD2 3.82Å; V909-L948 HydrophobicContact CB-CD2 4.24Å; V909-L948 HydrophobicContact CG1-CD1 4.33Å; V909-L948 HydrophobicContact CG1-CD2 3.8Å; L910-L948 HydrophobicContact CB-CB 4.48Å; L910-L948 HydrophobicContact CD1-CB 4.17Å; K913-L948 HydrophobicContact CB-CD1 4.39Å; K913-L948 HydrophobicContact CG-CD1 4.21Å; L941-L948 HydrophobicContact CB-CD1 4.45Å; L941-L948 HydrophobicContact CD2-CD2 4.47Å; L941-L948 HydrophobicContact CD2-CG 4.4Å; L948-V965 HydrophobicContact CB-CB 4.27Å; L948-V965 HydrophobicContact CB-CG2 4.39Å; L948-V965 HydrophobicContact CD2-CB 4.17Å; L948-V965 HydrophobicContact CD2-CG1 4.17Å; L948-V965 HydrophobicContact CD2-CG2 4.08Å; L948-V965 HydrophobicContact CG-CB 4.27Å; L948-V965 HydrophobicContact CG-CG2 3.97Å; L948-V965 WeakPolarHBondContact O-CB 3.32Å; L948-V965 PolarHBondContact O-N 2.82Å
949V93.2Very high81.6Confident10 Ų1061.4 Ų61.46%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-131155.8178.1-620000111.7L941 A942 R944 I947 W962 Q963L941-V949 WeakPolarHBondContact CA-O 3.5Å; A942-V949 HydrophobicContact CB-CG2 4.27Å; A942-V949 PolarHBondContact N-O 3.01Å; A942-V949 VanDerWaalsContact O-CG2 3.26Å; A942-V949 WeakPolarHBondContact O-CG2 3.37Å; A942-V949 PolarHBondContact O-N 2.82Å; R944-V949 HydrophobicContact CB-CG2 4.05Å; R944-V949 HydrophobicContact CG-CG2 3.67Å; I947-V949 HydrophobicContact CD1-CG1 4.41Å; I947-V949 HydrophobicContact CG1-CG1 4.38Å; V949-W962 HydrophobicContact CB-CE3 4.07Å; V949-W962 HydrophobicContact CG2-CD2 4.17Å; V949-W962 HydrophobicContact CG2-CE3 3.48Å; V949-W962 VanDerWaalsContact CG2-CE3 3.48Å; V949-W962 HydrophobicContact CG2-CZ3 3.86Å; V949-Q963 CarbonylContact C-O 3.5Å; V949-Q963 WeakPolarHBondContact CA-O 3.37Å; V949-Q963 WeakPolarHBondContact CB-O 3.48Å
950R92.2Very high81.4Confident29 Ų2958.9 Ų58.911%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-119.4136.2178.4-176.8-179.9172.5-129.311.5112N937 R940 L941 Q963 V965 Y1001N937-R950 VanDerWaalsContact OD1-CZ 3.29Å; N937-R950 PolarHBondContact OD1-NE 2.83Å; N937-R950 PolarHBondContact OD1-NH2 3.02Å; R940-R950 HydrophobicContact CB-CG 4.1Å; R940-R950 CarbonylContact O-C 3.49Å; R940-R950 WeakPolarHBondContact O-CA 3.3Å; L941-R950 HydrophobicContact CD2-CB 3.87Å; L941-R950 HydrophobicContact CD2-CG 4.27Å; R950-Q963 HydrophobicContact CB-CB 4.43Å; R950-Q963 PolarHBondContact N-O 3.41Å; R950-Q963 PolarHBondContact O-N 3.45Å; R950-V965 HydrophobicContact CB-CG2 4.37Å; R950-Y1001 HydrophobicContact CB-CD1 4.31Å; R950-Y1001 HydrophobicContact CG-CD1 4.48Å
951K89.5Confident81Confident61 Ų6162.1 Ų62.127%0.26532%0.315SS..EExtended strand (participates in β ladder)trans-81.6113.5176.2-167.5174.5-179.5176.60111.2R940 F953 F960 W962R940-K951 HydrophobicContact CB-CB 4.25Å; R940-K951 VanDerWaalsContact CZ-O 3.27Å; R940-K951 PolarHBondContact NE-O 2.9Å; R940-K951 PolarHBondContact NH2-O 3.09Å; R940-K951 WeakPolarHBondContact O-CB 3.4Å; R940-K951 PolarHBondContact O-N 2.93Å; K951-F953 HydrophobicContact CD-CZ 4.19Å; K951-F953 HydrophobicContact CG-CZ 4.45Å; K951-F960 HydrophobicContact CD-CD2 3.95Å; K951-F960 HydrophobicContact CD-CE2 4.14Å; K951-F960 HydrophobicContact CD-CG 4.2Å; K951-F960 VanDerWaalsContact CE-CE1 3.47Å; K951-F960 HydrophobicContact CG-CB 4.1Å; K951-F960 HydrophobicContact CG-CD2 3.49Å; K951-F960 VanDerWaalsContact CG-CD2 3.49Å; K951-F960 HydrophobicContact CG-CE2 4.07Å; K951-F960 HydrophobicContact CG-CG 3.88Å; K951-W962 HydrophobicContact CB-CE3 4.17Å; K951-W962 HydrophobicContact CB-CH2 4.11Å; K951-W962 HydrophobicContact CB-CZ3 3.77Å; K951-W962 HydrophobicContact CD-CH2 4.44Å; K951-W962 HydrophobicContact CG-CH2 4.49Å
952W86.1Confident80.8Confident39 Ų3966 Ų6615%0.14833%0.329CS..EExtended strand (participates in β ladder)trans-108.9128.7179.7-179.473000111.7C954 F960 R961 Q963 R997W952-C954 HydrophobicContact CH2-CB 4.35Å; W952-C954 HydrophobicContact CZ3-CB 4.42Å; W952-F960 CarbonylContact O-C 3.3Å; W952-F960 WeakPolarHBondContact O-CA 3.21Å; W952-F960 VanDerWaalsContact O-CB 3.24Å; W952-F960 WeakPolarHBondContact O-CB 3.06Å; W952-R961 HydrophobicContact CE3-CB 4.41Å; W952-R961 PolarHBondContact N-O 3.17Å; W952-R961 PolarHBondContact O-N 2.79Å; W952-Q963 VanDerWaalsContact CB-CD 3.49Å; W952-Q963 HydrophobicContact CB-CG 3.9Å; W952-R997 HydrophobicContact CD2-CG 4.48Å; W952-R997 HydrophobicContact CZ2-CG 4.31Å; W952-R997 VanDerWaalsContact CZ2-CZ 3.42Å
953F79.4Confident80.9Confident102 Ų10264.8 Ų64.845%0.44732%0.319SS..EExtended strand (participates in β ladder)trans-95.4137.4-179.1-65.2-82.2000110.8R940 K951 G959 F960R940-F953 VanDerWaalsContact NH2-CD2 3.32Å; K951-F953 HydrophobicContact CD-CZ 4.19Å; K951-F953 HydrophobicContact CG-CZ 4.45Å; F953-G959 WeakPolarHBondContact CA-O 3.42Å; F953-F960 HydrophobicContact CD1-CB 3.71Å; F953-F960 HydrophobicContact CE1-CB 3.98Å; F953-F960 HydrophobicContact CE1-CD1 4.44Å; F953-F960 HydrophobicContact CG-CB 4.33Å
954C70.2Confident80.9Confident17 Ų1764.1 Ų64.112%0.11532%0.315CS..  trans-70145.2178.4-56.40000110.9W952 D956 Y957 S958 G959W952-C954 HydrophobicContact CH2-CB 4.35Å; W952-C954 HydrophobicContact CZ3-CB 4.42Å; C954-D956 WeakPolarHBondContact CB-OD1 3.34Å; C954-D956 PolarHBondContact O-N 2.75Å; C954-Y957 PolarHBondContact O-N 3.49Å; C954-S958 VanDerWaalsContact CB-OG 3.32Å; C954-S958 WeakPolarHBondContact CB-OG 3.31Å; C954-G959 PolarHBondContact N-O 3.32Å
955A66.7Low81.2Confident80 Ų8058 Ų5866%0.66129%0.292SS*.THydrogen-bonded Turntrans-71.7-17.9-174.900000113.9Y957A955-Y957 VanDerWaalsContact C-N 3.34Å
956D60.7Low81.6Confident107 Ų10752 Ų5257%0.57226%0.26SS*.THydrogen-bonded Turntrans-91.98175.858.5-0.2000112.8C954 S958C954-D956 WeakPolarHBondContact CB-OD1 3.34Å; C954-D956 PolarHBondContact O-N 2.75Å; D956-S958 VanDerWaalsContact CG-OG 3.28Å; D956-S958 PolarHBondContact O-N 2.67Å; D956-S958 VanDerWaalsContact O-N 3.13Å; D956-S958 VanDerWaalsContact OD1-CB 3.26Å; D956-S958 WeakPolarHBondContact OD1-CB 3.01Å; D956-S958 PolarHBondContact OD1-N 3.42Å; D956-S958 VanDerWaalsContact OD1-N 3.12Å; D956-S958 PolarHBondContact OD1-OG 2.08Å; D956-S958 PolarHBondContact OD2-OG 2.97Å
957Y51.3Low81.9Confident202 Ų20251.2 Ų51.279%0.79225%0.252SS*.SBendtrans61.212.7-176.1-50.8-87.3000115.1C954 A955 G959C954-Y957 PolarHBondContact O-N 3.49Å; A955-Y957 VanDerWaalsContact C-N 3.34Å; Y957-G959 PolarHBondContact O-N 2.75Å; Y957-G959 VanDerWaalsContact O-N 3.08Å
958S59.2Low81.9Confident43 Ų4355.6 Ų55.630%0.30127%0.271SS..SBendtrans-65.3-9.9179.159.70000115.1D834 C954 D956D834-S958 WeakPolarHBondContact OD2-CB 3.5Å; C954-S958 VanDerWaalsContact CB-OG 3.32Å; C954-S958 WeakPolarHBondContact CB-OG 3.31Å; D956-S958 VanDerWaalsContact CG-OG 3.28Å; D956-S958 PolarHBondContact O-N 2.67Å; D956-S958 VanDerWaalsContact O-N 3.13Å; D956-S958 VanDerWaalsContact OD1-CB 3.26Å; D956-S958 WeakPolarHBondContact OD1-CB 3.01Å; D956-S958 PolarHBondContact OD1-N 3.42Å; D956-S958 VanDerWaalsContact OD1-N 3.12Å; D956-S958 PolarHBondContact OD1-OG 2.08Å; D956-S958 PolarHBondContact OD2-OG 2.97Å
959G73Confident81.8Confident31 Ų3162.4 Ų62.432%0.3230%0.297SS..  trans143.2-151177.900000113.9F953 C954 Y957F953-G959 WeakPolarHBondContact CA-O 3.42Å; C954-G959 PolarHBondContact N-O 3.32Å; Y957-G959 PolarHBondContact O-N 2.75Å; Y957-G959 VanDerWaalsContact O-N 3.08Å
960F81.7Confident81.7Confident98 Ų9862.7 Ų62.743%0.4330%0.297SS..EExtended strand (participates in β ladder)trans-137.3158.8179.171.2-92000112.9K951 W952 F953 W962K951-F960 HydrophobicContact CD-CD2 3.95Å; K951-F960 HydrophobicContact CD-CE2 4.14Å; K951-F960 HydrophobicContact CD-CG 4.2Å; K951-F960 VanDerWaalsContact CE-CE1 3.47Å; K951-F960 HydrophobicContact CG-CB 4.1Å; K951-F960 HydrophobicContact CG-CD2 3.49Å; K951-F960 VanDerWaalsContact CG-CD2 3.49Å; K951-F960 HydrophobicContact CG-CE2 4.07Å; K951-F960 HydrophobicContact CG-CG 3.88Å; W952-F960 CarbonylContact O-C 3.3Å; W952-F960 WeakPolarHBondContact O-CA 3.21Å; W952-F960 VanDerWaalsContact O-CB 3.24Å; W952-F960 WeakPolarHBondContact O-CB 3.06Å; F953-F960 HydrophobicContact CD1-CB 3.71Å; F953-F960 HydrophobicContact CE1-CB 3.98Å; F953-F960 HydrophobicContact CE1-CD1 4.44Å; F953-F960 HydrophobicContact CG-CB 4.33Å; F960-W962 HydrophobicContact CE2-CZ2 4.29Å; F960-W962 AromaticContact CE2-NE1 3.74Å
961R81.2Confident81.7Confident116 Ų11662.3 Ų62.344%0.43830%0.297SS..EExtended strand (participates in β ladder)trans-128.7152.8174.7-58.4-174-177.9-174.86.2110.5W952 E998W952-R961 HydrophobicContact CE3-CB 4.41Å; W952-R961 PolarHBondContact N-O 3.17Å; W952-R961 PolarHBondContact O-N 2.79Å; R961-E998 IonicContact CZ-OE1 2.59Å; R961-E998 IonicContact NH1-OE1 2.82Å; R961-E998 PolarHBondContact NH1-OE1 3.49Å; R961-E998 IonicContact NH1-OE2 2.95Å; R961-E998 IonicContact NH2-OE1 3.07Å
962W88.3Confident81.7Confident87 Ų8763.3 Ų63.333%0.3331%0.312SS..EExtended strand (participates in β ladder)trans-89.7128.7173.1-69.1103.7000110.6A942 V949 K951 F960A942-W962 HydrophobicContact CB-CH2 3.68Å; A942-W962 HydrophobicContact CB-CZ3 3.69Å; V949-W962 HydrophobicContact CB-CE3 4.07Å; V949-W962 HydrophobicContact CG2-CD2 4.17Å; V949-W962 HydrophobicContact CG2-CE3 3.48Å; V949-W962 VanDerWaalsContact CG2-CE3 3.48Å; V949-W962 HydrophobicContact CG2-CZ3 3.86Å; K951-W962 HydrophobicContact CB-CE3 4.17Å; K951-W962 HydrophobicContact CB-CH2 4.11Å; K951-W962 HydrophobicContact CB-CZ3 3.77Å; K951-W962 HydrophobicContact CD-CH2 4.44Å; K951-W962 HydrophobicContact CG-CH2 4.49Å; F960-W962 HydrophobicContact CE2-CZ2 4.29Å; F960-W962 AromaticContact CE2-NE1 3.74Å
963Q92Very high81.8Confident3 Ų365.4 Ų65.41%0.01432%0.32CS..EExtended strand (participates in β ladder)trans-104.7129.7174.3-65.5174.8-3700109.5V949 R950 W952 V965 R997 R999V949-Q963 CarbonylContact C-O 3.5Å; V949-Q963 WeakPolarHBondContact CA-O 3.37Å; V949-Q963 WeakPolarHBondContact CB-O 3.48Å; R950-Q963 HydrophobicContact CB-CB 4.43Å; R950-Q963 PolarHBondContact N-O 3.41Å; R950-Q963 PolarHBondContact O-N 3.45Å; W952-Q963 VanDerWaalsContact CB-CD 3.49Å; W952-Q963 HydrophobicContact CB-CG 3.9Å; Q963-V965 PolarHBondContact O-N 2.81Å; Q963-R997 PolarHBondContact NE2-O 2.71Å; Q963-R999 CarbonylContact C-O 3.6Å; Q963-R999 VanDerWaalsContact CA-O 3.24Å; Q963-R999 WeakPolarHBondContact CA-O 3.38Å
964V91.6Very high82.3Confident34 Ų3460.5 Ų60.521%0.20630%0.298CS..EExtended strand (participates in β ladder)trans-68.7130.7171.1176.80000109.1M896 I947 V966 R999 F1000 Y1001M896-V964 HydrophobicContact CE-CG1 4.43Å; M896-V964 HydrophobicContact CG-CG1 4.44Å; M896-V964 HydrophobicContact SD-CG1 4.12Å; I947-V964 HydrophobicContact CD1-CG1 4.3Å; I947-V964 HydrophobicContact CD1-CG2 4.31Å; V964-V966 PolarHBondContact O-N 3.28Å; V964-R999 PolarHBondContact N-O 3.28Å; V964-F1000 HydrophobicContact CB-CD1 4.03Å; V964-F1000 HydrophobicContact CB-CE1 4.3Å; V964-F1000 WeakPolarHBondContact O-CA 3.42Å; V964-Y1001 PolarHBondContact O-N 2.91Å
965V93.6Very high83.3Confident0 Ų060 Ų600%029%0.294CS..EExtended strand (participates in β ladder)trans-77.7110.8172.9-177.40000108.3Q900 V906 L934 L941 L948 R950 Q963 Y1001Q900-V965 PolarHBondContact NE2-O 3.14Å; V906-V965 HydrophobicContact CG1-CG1 4.16Å; V906-V965 HydrophobicContact CG2-CG1 3.92Å; L934-V965 HydrophobicContact CD2-CG1 3.87Å; L941-V965 HydrophobicContact CD2-CG2 3.91Å; L948-V965 HydrophobicContact CB-CB 4.27Å; L948-V965 HydrophobicContact CB-CG2 4.39Å; L948-V965 HydrophobicContact CD2-CB 4.17Å; L948-V965 HydrophobicContact CD2-CG1 4.17Å; L948-V965 HydrophobicContact CD2-CG2 4.08Å; L948-V965 HydrophobicContact CG-CB 4.27Å; L948-V965 HydrophobicContact CG-CG2 3.97Å; L948-V965 WeakPolarHBondContact O-CB 3.32Å; L948-V965 PolarHBondContact O-N 2.82Å; R950-V965 HydrophobicContact CB-CG2 4.37Å; Q963-V965 PolarHBondContact O-N 2.81Å; V965-Y1001 CarbonylContact C-O 3.58Å; V965-Y1001 VanDerWaalsContact CA-O 3.26Å; V965-Y1001 WeakPolarHBondContact CA-O 3.42Å; V965-Y1001 HydrophobicContact CG2-CD1 4.39Å
966V92.7Very high84.3Confident3 Ų361.8 Ų61.82%0.01829%0.287CS..  trans-84.5122.8-172.7-175.20000109.6V964 M970 I971 V974 F1000 Y1001 W1002V964-V966 PolarHBondContact O-N 3.28Å; V966-M970 HydrophobicContact CG1-CB 3.85Å; V966-I971 HydrophobicContact CG1-CG1 4.03Å; V966-V974 HydrophobicContact CG1-CG2 3.91Å; V966-V974 HydrophobicContact CG2-CG2 4.25Å; V966-F1000 HydrophobicContact CG2-CB 3.8Å; V966-F1000 HydrophobicContact CG2-CD1 3.59Å; V966-F1000 HydrophobicContact CG2-CG 3.99Å; V966-Y1001 PolarHBondContact N-O 2.69Å; V966-W1002 HydrophobicContact CB-CE3 3.8Å; V966-W1002 HydrophobicContact CB-CZ3 4.38Å; V966-W1002 HydrophobicContact CG2-CE3 3.78Å; V966-W1002 HydrophobicContact CG2-CZ3 4.03Å
967P92.6Very high85.5Confident0 Ų059.5 Ų59.50%027%0.273CS..  trans-69.1150.7173.827.1-31.1000110.9M896 A899 Q900 D903 R969 M970M896-P967 HydrophobicContact SD-CG 4.2Å; A899-P967 HydrophobicContact CB-CB 4.3Å; A899-P967 HydrophobicContact CB-CG 3.5Å; A899-P967 VanDerWaalsContact O-CB 3.32Å; A899-P967 WeakPolarHBondContact O-CB 3.48Å; Q900-P967 HydrophobicContact CG-CG 4.17Å; D903-P967 HydrophobicContact CB-CB 3.83Å; D903-P967 WeakPolarHBondContact OD2-CA 3.33Å; P967-R969 VanDerWaalsContact C-N 3.25Å; P967-R969 PolarHBondContact O-N 3.46Å; P967-R969 VanDerWaalsContact O-N 3.08Å; P967-M970 HydrophobicContact CG-CB 4.36Å; P967-M970 HydrophobicContact CG-CG 4.05Å; P967-M970 HydrophobicContact CG-SD 3.89Å; P967-M970 PolarHBondContact O-N 2.65Å
968K91.4Very high87.2Confident106 Ų10650.1 Ų50.146%0.46124%0.237SC..G310 helixtrans-48.8-44.6-170.8-75.1178.3-174.6164.30113.1D903 D905 M970 I971D903-K968 WeakPolarHBondContact OD2-CB 2.95Å; D903-K968 PolarHBondContact OD2-N 2.66Å; D905-K968 WeakPolarHBondContact OD2-CE 3.15Å; D905-K968 IonicContact OD2-NZ 3.68Å; D905-K968 PolarHBondContact OD2-NZ 2.95Å; K968-M970 PolarHBondContact O-N 2.79Å; K968-M970 VanDerWaalsContact O-N 3.15Å; K968-I971 PolarHBondContact O-N 3.31Å
969R91.3Very high88.6Confident143 Ų14348 Ų4854%0.5422%0.223SC..G310 helixtrans-63.1-19.9-178.174.6-178-171.1-176.2-5115.1A899 E902 P967A899-R969 VanDerWaalsContact CA-CZ 3.46Å; A899-R969 HydrophobicContact CB-CG 4.47Å; A899-R969 VanDerWaalsContact CB-NH2 3.26Å; A899-R969 VanDerWaalsContact N-NH2 3.16Å; E902-R969 IonicContact OE2-CZ 3.82Å; E902-R969 IonicContact OE2-NH1 3.25Å; E902-R969 PolarHBondContact OE2-NH1 2.97Å; E902-R969 IonicContact OE2-NH2 2.74Å; E902-R969 PolarHBondContact OE2-NH2 3.14Å; P967-R969 VanDerWaalsContact C-N 3.25Å; P967-R969 PolarHBondContact O-N 3.46Å; P967-R969 VanDerWaalsContact O-N 3.08Å
970M91Very high89Confident15 Ų1550.1 Ų50.17%0.07422%0.224CC..G310 helixtrans-100.9-9.7-178-61.3-174.382.300113.1L890 M896 A899 V966 P967 K968 S972 R973 V974L890-M970 HydrophobicContact CB-CE 4.08Å; L890-M970 HydrophobicContact CD2-CE 3.86Å; L890-M970 HydrophobicContact CG-CE 4.43Å; M896-M970 HydrophobicContact CE-CE 3.56Å; M896-M970 HydrophobicContact CE-SD 3.42Å; M896-M970 WeakPolarHBondContact CE-SD 3.38Å; M896-M970 HydrophobicContact SD-SD 3.9Å; A899-M970 HydrophobicContact CB-CG 4.37Å; A899-M970 HydrophobicContact CB-SD 3.72Å; V966-M970 HydrophobicContact CG1-CB 3.85Å; P967-M970 HydrophobicContact CG-CB 4.36Å; P967-M970 HydrophobicContact CG-CG 4.05Å; P967-M970 HydrophobicContact CG-SD 3.89Å; P967-M970 PolarHBondContact O-N 2.65Å; K968-M970 PolarHBondContact O-N 2.79Å; K968-M970 VanDerWaalsContact O-N 3.15Å; M970-S972 PolarHBondContact O-N 3.37Å; M970-R973 PolarHBondContact O-N 3.47Å; M970-V974 PolarHBondContact O-N 3.07Å
971I91.9Very high88.6Confident22 Ų2246.5 Ų46.511%0.11322%0.215CC..Hα-helixtrans-56.4-48.2-176.9-68.5173.4000111.3V966 K968 R973 V974 L975 W1002 D1008V966-I971 HydrophobicContact CG1-CG1 4.03Å; K968-I971 PolarHBondContact O-N 3.31Å; I971-R973 VanDerWaalsContact C-N 3.27Å; I971-R973 PolarHBondContact O-N 3.18Å; I971-V974 PolarHBondContact O-N 3.46Å; I971-V974 VanDerWaalsContact O-N 3.12Å; I971-L975 HydrophobicContact CG2-CD1 3.6Å; I971-L975 HydrophobicContact CG2-CG 4.19Å; I971-L975 WeakPolarHBondContact O-CG 3.18Å; I971-L975 PolarHBondContact O-N 3.03Å; I971-W1002 HydrophobicContact CD1-CB 4.4Å; I971-W1002 VanDerWaalsContact CD1-CD1 3.5Å; I971-W1002 HydrophobicContact CD1-CD2 4.29Å; I971-W1002 HydrophobicContact CD1-CG 3.85Å; I971-W1002 HydrophobicContact CG1-CD2 4.13Å; I971-W1002 HydrophobicContact CG1-CG 4.16Å; I971-W1002 HydrophobicContact CG2-CZ2 3.82Å; I971-D1008 HydrophobicContact CG2-CB 4.46Å
972S90Very high88Confident82 Ų8246.4 Ų46.457%0.57324%0.239SC*.Hα-helixtrans-59.2-38.2-179.3-54.60000112.6M970 K976M970-S972 PolarHBondContact O-N 3.37Å; S972-K976 WeakPolarHBondContact O-CB 2.96Å; S972-K976 PolarHBondContact O-N 3.48Å
973R88.3Confident86.6Confident82 Ų8247.1 Ų47.131%0.30925%0.253SS..Hα-helixtrans-69.1-41.9176.6178.1175.5162.7168.8-6.5111.8V889 D891 M970 I971 K976 Q977V889-R973 PolarHBondContact O-NE 2.83Å; V889-R973 PolarHBondContact O-NH2 3.23Å; D891-R973 IonicContact OD1-CZ 3.3Å; D891-R973 VanDerWaalsContact OD1-CZ 3.23Å; D891-R973 IonicContact OD1-NH1 2.81Å; D891-R973 PolarHBondContact OD1-NH1 3.22Å; D891-R973 IonicContact OD1-NH2 3.21Å; D891-R973 PolarHBondContact OD1-NH2 3.03Å; D891-R973 IonicContact OD2-CZ 3.74Å; D891-R973 IonicContact OD2-NH1 2.77Å; D891-R973 PolarHBondContact OD2-NH1 3.05Å; D891-R973 IonicContact OD2-NH2 3.73Å; M970-R973 PolarHBondContact O-N 3.47Å; I971-R973 VanDerWaalsContact C-N 3.27Å; I971-R973 PolarHBondContact O-N 3.18Å; R973-K976 PolarHBondContact O-N 2.96Å; R973-Q977 WeakPolarHBondContact O-CG 3.5Å; R973-Q977 PolarHBondContact O-N 2.94Å
974V90Very high85.6Confident0 Ų047.1 Ų47.10%025%0.253CS..Hα-helixtrans-62.7-44.2175.91740000110.8V888 L890 V966 M970 I971 A978 F1000 W1002V888-V974 HydrophobicContact CG1-CG1 4.46Å; V888-V974 HydrophobicContact CG1-CG2 4.35Å; L890-V974 HydrophobicContact CD1-CG2 4.01Å; L890-V974 HydrophobicContact CD2-CG2 3.52Å; L890-V974 HydrophobicContact CG-CG2 4.32Å; V966-V974 HydrophobicContact CG1-CG2 3.91Å; V966-V974 HydrophobicContact CG2-CG2 4.25Å; M970-V974 PolarHBondContact O-N 3.07Å; I971-V974 PolarHBondContact O-N 3.46Å; I971-V974 VanDerWaalsContact O-N 3.12Å; V974-A978 WeakPolarHBondContact O-CB 3.34Å; V974-A978 PolarHBondContact O-N 3.28Å; V974-F1000 HydrophobicContact CG1-CB 4.45Å; V974-F1000 HydrophobicContact CG1-CD2 3.7Å; V974-F1000 HydrophobicContact CG1-CE2 4.07Å; V974-F1000 HydrophobicContact CG1-CG 3.98Å; V974-W1002 HydrophobicContact CG1-CH2 4.11Å; V974-W1002 HydrophobicContact CG1-CZ3 4.02Å
975L91.3Very high84.6Confident6 Ų647.7 Ų47.73%0.03127%0.266CS..Hα-helixtrans-62.4-47.2177.1-72.2167.2000111.8I971 Q977 A978 H979 I996 W1002 D1008 I1009 Y1012I971-L975 HydrophobicContact CG2-CD1 3.6Å; I971-L975 HydrophobicContact CG2-CG 4.19Å; I971-L975 WeakPolarHBondContact O-CG 3.18Å; I971-L975 PolarHBondContact O-N 3.03Å; L975-Q977 PolarHBondContact O-N 3.12Å; L975-A978 PolarHBondContact O-N 3.18Å; L975-H979 WeakPolarHBondContact O-CB 3.4Å; L975-H979 PolarHBondContact O-N 3.38Å; L975-I996 HydrophobicContact CD2-CD1 3.68Å; L975-W1002 HydrophobicContact CD2-CH2 4.41Å; L975-W1002 HydrophobicContact CD2-CZ2 4.2Å; L975-W1002 HydrophobicContact CG-CZ2 4.36Å; L975-D1008 HydrophobicContact CD1-CB 4.16Å; L975-I1009 HydrophobicContact CD2-CB 4.35Å; L975-I1009 HydrophobicContact CD2-CG1 3.55Å; L975-Y1012 HydrophobicContact CB-CD1 4.23Å; L975-Y1012 HydrophobicContact CB-CD2 3.6Å; L975-Y1012 HydrophobicContact CB-CE1 4.46Å; L975-Y1012 HydrophobicContact CB-CE2 3.82Å; L975-Y1012 HydrophobicContact CB-CG 3.83Å; L975-Y1012 HydrophobicContact CD1-CD2 3.86Å; L975-Y1012 HydrophobicContact CD1-CG 4.17Å; L975-Y1012 HydrophobicContact CG-CD2 4.3Å; L975-Y1012 HydrophobicContact CG-CG 4.41Å
976K87.7Confident84.2Confident118 Ų11849.1 Ų49.151%0.51327%0.272SS..Hα-helixtrans-55.9-51.4176.8-172.7170.4-175.4174.80111.9S972 R973 A978 H979 E980 Y1012S972-K976 WeakPolarHBondContact O-CB 2.96Å; S972-K976 PolarHBondContact O-N 3.48Å; R973-K976 PolarHBondContact O-N 2.96Å; K976-A978 VanDerWaalsContact C-N 3.33Å; K976-A978 PolarHBondContact O-N 3.04Å; K976-H979 PolarHBondContact O-N 3.17Å; K976-E980 VanDerWaalsContact CE-OE2 3.22Å; K976-E980 WeakPolarHBondContact CE-OE2 3.19Å; K976-E980 HydrophobicContact CG-CB 4.48Å; K976-E980 HydrophobicContact CG-CG 4.48Å; K976-E980 WeakPolarHBondContact CG-OE2 3.48Å; K976-E980 WeakPolarHBondContact O-CA 3.13Å; K976-E980 WeakPolarHBondContact O-CB 3.36Å; K976-E980 PolarHBondContact O-N 3.43Å; K976-Y1012 VanDerWaalsContact CA-OH 3.24Å; K976-Y1012 WeakPolarHBondContact CA-OH 3.06Å; K976-Y1012 VanDerWaalsContact CB-OH 3.3Å; K976-Y1012 WeakPolarHBondContact CB-OH 3.16Å
977Q85.4Confident83.7Confident58 Ų5853.9 Ų53.927%0.27130%0.297SS..Hα-helixtrans-67-33.1179-66.8-174.229.200112.9V888 V889 R973 L975 G981V888-Q977 VanDerWaalsContact C-OE1 3.27Å; V888-Q977 HydrophobicContact CB-CB 4.46Å; V888-Q977 HydrophobicContact CG1-CB 4.06Å; V888-Q977 HydrophobicContact CG2-CB 4.08Å; V889-Q977 PolarHBondContact O-NE2 3.06Å; R973-Q977 WeakPolarHBondContact O-CG 3.5Å; R973-Q977 PolarHBondContact O-N 2.94Å; L975-Q977 PolarHBondContact O-N 3.12Å; Q977-G981 PolarHBondContact O-N 2.88Å
978A86.2Confident83.2Confident5 Ų555 Ų554%0.04131%0.308CS..Hα-helixtrans-76.6-27.7-179.700000114V974 L975 K976 A984 T992 R995 I996V974-A978 WeakPolarHBondContact O-CB 3.34Å; V974-A978 PolarHBondContact O-N 3.28Å; L975-A978 PolarHBondContact O-N 3.18Å; K976-A978 VanDerWaalsContact C-N 3.33Å; K976-A978 PolarHBondContact O-N 3.04Å; A978-A984 VanDerWaalsContact O-CB 3.22Å; A978-A984 WeakPolarHBondContact O-CB 3.38Å; A978-T992 HydrophobicContact CB-CG2 4.47Å; A978-R995 WeakPolarHBondContact O-CD 3.43Å; A978-I996 HydrophobicContact CB-CD1 4.07Å; A978-I996 HydrophobicContact CB-CG1 3.91Å
979H88.7Confident82.9Confident0 Ų053.7 Ų53.70%031%0.305CS..Hα-helixtrans-103.9-45.4-176.8-172.365.6000113.8L975 K976 A984 H986 T992 Y1012 C1016 C1019L975-H979 WeakPolarHBondContact O-CB 3.4Å; L975-H979 PolarHBondContact O-N 3.38Å; K976-H979 PolarHBondContact O-N 3.17Å; H979-A984 VanDerWaalsContact O-CB 3.23Å; H979-A984 WeakPolarHBondContact O-CB 3.47Å; H979-H986 AromaticContact CD2-ND1 3.64Å; H979-H986 AromaticContact NE2-ND1 3.31Å; H979-H986 PolarHBondContact NE2-ND1 3.08Å; H979-H986 PolarHBondContact O-N 2.7Å; H979-T992 HydrophobicContact CB-CG2 4.02Å; H979-T992 PolarHBondContact ND1-OG1 3.36Å; H979-Y1012 HydrophobicContact CB-CD1 4.19Å; H979-Y1012 HydrophobicContact CB-CE1 4.02Å; H979-C1016 PolarHBondContact NE2-SG 2.98Å; H979-C1016 VanDerWaalsContact NE2-SG 3.43Å; H979-C1019 VanDerWaalsContact CE1-SG 3.57Å; H979-C1019 PolarHBondContact NE2-SG 3.15Å
980E83.1Confident82.5Confident75 Ų7554.9 Ų54.935%0.3532%0.317SS..THydrogen-bonded Turntrans-98.3-11.6-174-55.9176-161.500113.4K976 Y1012K976-E980 VanDerWaalsContact CE-OE2 3.22Å; K976-E980 WeakPolarHBondContact CE-OE2 3.19Å; K976-E980 HydrophobicContact CG-CB 4.48Å; K976-E980 HydrophobicContact CG-CG 4.48Å; K976-E980 WeakPolarHBondContact CG-OE2 3.48Å; K976-E980 WeakPolarHBondContact O-CA 3.13Å; K976-E980 WeakPolarHBondContact O-CB 3.36Å; K976-E980 PolarHBondContact O-N 3.43Å; E980-Y1012 HydrophobicContact CG-CE1 4.45Å; E980-Y1012 PolarHBondContact OE1-OH 2.81Å
981G73.2Confident82.2Confident22 Ų2258.8 Ų58.823%0.22733%0.333CS..SBendtrans-53.1149.9179.800000111.9Q977 T983 A984 G985Q977-G981 PolarHBondContact O-N 2.88Å; G981-T983 PolarHBondContact O-N 2.82Å; G981-A984 WeakPolarHBondContact O-CA 3.32Å; G981-A984 VanDerWaalsContact O-CB 3.31Å; G981-A984 WeakPolarHBondContact O-CB 3.36Å; G981-A984 PolarHBondContact O-N 3.02Å; G981-G985 PolarHBondContact O-N 3.32Å
982A67.9Low81.9Confident114 Ų11457.9 Ų57.994%0.94233%0.329SS*.THydrogen-bonded Turntrans-54.2-27.7-176.400000113.8
983T58.8Low81.9Confident102 Ų10254.8 Ų54.863%0.62631%0.307SS*.THydrogen-bonded Turntrans-91.3-6.1175.561.80000113.8G981 R995G981-T983 PolarHBondContact O-N 2.82Å; T983-R995 PolarHBondContact O-NH1 3.13Å; T983-R995 PolarHBondContact O-NH2 3.45Å
984A70.5Confident81.7Confident2 Ų256 Ų562%0.01732%0.316CS..THydrogen-bonded Turntrans-94-38.6-177.300000115.2A978 H979 G981 H986 L987 R995A978-A984 VanDerWaalsContact O-CB 3.22Å; A978-A984 WeakPolarHBondContact O-CB 3.38Å; H979-A984 VanDerWaalsContact O-CB 3.23Å; H979-A984 WeakPolarHBondContact O-CB 3.47Å; G981-A984 WeakPolarHBondContact O-CA 3.32Å; G981-A984 VanDerWaalsContact O-CB 3.31Å; G981-A984 WeakPolarHBondContact O-CB 3.36Å; G981-A984 PolarHBondContact O-N 3.02Å; A984-H986 PolarHBondContact O-N 2.67Å; A984-H986 VanDerWaalsContact O-N 3.08Å; A984-L987 WeakPolarHBondContact O-CD1 3.46Å; A984-L987 WeakPolarHBondContact O-CG 3.2Å; A984-L987 PolarHBondContact O-N 3.14Å; A984-R995 VanDerWaalsContact CA-CZ 3.41Å
985G71.9Confident81.5Confident46 Ų4659.9 Ų59.947%0.47433%0.331SS..THydrogen-bonded Turntrans54.430.9165.200000115.8G981 L987G981-G985 PolarHBondContact O-N 3.32Å; G985-L987 VanDerWaalsContact C-N 3.27Å; G985-L987 PolarHBondContact O-N 2.84Å
986H84.7Confident81.4Confident30 Ų3059.6 Ų59.614%0.13933%0.329CS..THydrogen-bonded Turntrans56.434.5174.6-63.4-97.3000114.7H979 A984 G988 C1016 E1018H979-H986 AromaticContact CD2-ND1 3.64Å; H979-H986 AromaticContact NE2-ND1 3.31Å; H979-H986 PolarHBondContact NE2-ND1 3.08Å; H979-H986 PolarHBondContact O-N 2.7Å; A984-H986 PolarHBondContact O-N 2.67Å; A984-H986 VanDerWaalsContact O-N 3.08Å; H986-G988 PolarHBondContact O-N 2.94Å; H986-C1016 PolarHBondContact CE1-SG 3.23Å; H986-C1016 PolarHBondContact ND1-SG 3.2Å; H986-E1018 IonicContact CD2-OE2 2.91Å; H986-E1018 PolarHBondContact CD2-OE2 3.3Å; H986-E1018 IonicContact CE1-OE2 3.66Å; H986-E1018 IonicContact CG-OE2 2.65Å; H986-E1018 IonicContact NE2-OE1 2.7Å; H986-E1018 IonicContact NE2-OE2 2.69Å; H986-E1018 PolarHBondContact NE2-OE2 3.2Å
987L81.4Confident81.4Confident103 Ų10357.7 Ų57.754%0.53932%0.319SS..  trans-6920.4-174.1-66.1169.3000115.9A984 G985 K991A984-L987 WeakPolarHBondContact O-CD1 3.46Å; A984-L987 WeakPolarHBondContact O-CG 3.2Å; A984-L987 PolarHBondContact O-N 3.14Å; G985-L987 VanDerWaalsContact C-N 3.27Å; G985-L987 PolarHBondContact O-N 2.84Å; L987-K991 HydrophobicContact CB-CB 3.68Å; L987-K991 HydrophobicContact CB-CG 3.92Å
988G82.6Confident81.2Confident23 Ų2358.7 Ų58.724%0.23732%0.323CS..Hα-helixtrans79.2-178.1177.500000115.7H986 T992H986-G988 PolarHBondContact O-N 2.94Å; G988-T992 WeakPolarHBondContact O-CB 2.98Å; G988-T992 PolarHBondContact O-N 3.47Å; G988-T992 PolarHBondContact O-OG1 3.16Å
989M85.5Confident81.1Confident80 Ų8061.4 Ų61.439%0.39433%0.332SS..Hα-helixtrans-64.2-44.6-171.4-179.7-173.816600112.9T992 T993 I1009 K1010M989-T992 PolarHBondContact O-N 2.87Å; M989-T993 WeakPolarHBondContact O-CB 3.28Å; M989-T993 PolarHBondContact O-N 2.78Å; M989-T993 PolarHBondContact O-OG1 2.95Å; M989-I1009 HydrophobicContact CG-CG2 4.2Å; M989-K1010 HydrophobicContact CE-CB 4.2Å; M989-K1010 HydrophobicContact SD-CB 4.25Å; M989-K1010 HydrophobicContact SD-CG 4.25Å
990E82.8Confident81.2Confident167 Ų16762 Ų6278%0.7834%0.335SS*.Hα-helixtrans-63.9-46.4-175.8-67.9-172165.900111.8T992 T993 E994E990-T992 PolarHBondContact O-N 3.37Å; E990-T993 WeakPolarHBondContact O-CB 3.16Å; E990-T993 PolarHBondContact O-N 2.96Å; E990-E994 PolarHBondContact O-N 3.22Å
991K83.6Confident81.7Confident97 Ų9759.1 Ų59.142%0.42232%0.321SS..Hα-helixtrans-68.7-35.3179.4-69.7-67.9170.5-161.90112.8L987 E994 R995L987-K991 HydrophobicContact CB-CB 3.68Å; L987-K991 HydrophobicContact CB-CG 3.92Å; K991-E994 IonicContact NZ-OE2 2.87Å; K991-E994 PolarHBondContact NZ-OE2 2.79Å; K991-E994 PolarHBondContact O-N 3.02Å; K991-R995 WeakPolarHBondContact O-CG 3.38Å; K991-R995 PolarHBondContact O-N 3.4Å; K991-R995 VanDerWaalsContact O-N 3.13Å
992T87Confident82.7Confident3 Ų358.3 Ų58.32%0.01831%0.311CS..Hα-helixtrans-66.2-40.2173.3-50.60000110.8A978 H979 G988 M989 E990 R995 I996 I1009 V1013A978-T992 HydrophobicContact CB-CG2 4.47Å; H979-T992 HydrophobicContact CB-CG2 4.02Å; H979-T992 PolarHBondContact ND1-OG1 3.36Å; G988-T992 WeakPolarHBondContact O-CB 2.98Å; G988-T992 PolarHBondContact O-N 3.47Å; G988-T992 PolarHBondContact O-OG1 3.16Å; M989-T992 PolarHBondContact O-N 2.87Å; E990-T992 PolarHBondContact O-N 3.37Å; T992-R995 PolarHBondContact O-N 3.09Å; T992-I996 HydrophobicContact CG2-CD1 4.09Å; T992-I996 PolarHBondContact O-N 3.4Å; T992-I996 VanDerWaalsContact O-N 3.11Å; T992-I1009 HydrophobicContact CG2-CG2 3.89Å; T992-V1013 HydrophobicContact CG2-CG2 4.47Å
993T89.9Confident83.7Confident18 Ų1854.1 Ų54.111%0.1127%0.274CS..Hα-helixtrans-62.8-43.8174.7-56.40000112.3M989 E990 I996 R997 Y1005 R1006M989-T993 WeakPolarHBondContact O-CB 3.28Å; M989-T993 PolarHBondContact O-N 2.78Å; M989-T993 PolarHBondContact O-OG1 2.95Å; E990-T993 WeakPolarHBondContact O-CB 3.16Å; E990-T993 PolarHBondContact O-N 2.96Å; T993-I996 PolarHBondContact O-N 2.82Å; T993-R997 WeakPolarHBondContact O-CB 3.32Å; T993-R997 PolarHBondContact O-N 3.26Å; T993-Y1005 HydrophobicContact CG2-CE2 4.02Å; T993-R1006 HydrophobicContact CG2-CG 4.32Å
994E84.4Confident85.1Confident106 Ų10651 Ų5150%0.49526%0.262SS..Hα-helixtrans-60.8-46.5178.1-166.2169.6-155.200111E990 K991 I996 R997 E998E990-E994 PolarHBondContact O-N 3.22Å; K991-E994 IonicContact NZ-OE2 2.87Å; K991-E994 PolarHBondContact NZ-OE2 2.79Å; K991-E994 PolarHBondContact O-N 3.02Å; E994-I996 PolarHBondContact O-N 3.01Å; E994-R997 PolarHBondContact O-N 3.19Å; E994-E998 WeakPolarHBondContact O-CG 3.46Å; E994-E998 PolarHBondContact O-N 3.16Å; E994-E998 VanDerWaalsContact O-N 3.14Å
995R85.8Confident86Confident83 Ų8352.5 Ų52.531%0.31327%0.268SS..Hα-helixtrans-61.8-43.6178.1-72.3171.4-175.5-124.8-2113.6A978 T983 A984 K991 T992A978-R995 WeakPolarHBondContact O-CD 3.43Å; T983-R995 PolarHBondContact O-NH1 3.13Å; T983-R995 PolarHBondContact O-NH2 3.45Å; A984-R995 VanDerWaalsContact CA-CZ 3.41Å; K991-R995 WeakPolarHBondContact O-CG 3.38Å; K991-R995 PolarHBondContact O-N 3.4Å; K991-R995 VanDerWaalsContact O-N 3.13Å; T992-R995 PolarHBondContact O-N 3.09Å
996I89.5Confident86.8Confident0 Ų056.7 Ų56.70%027%0.269CS..Hα-helixtrans-68.7-46.9178.7-75.9163.6000110.1L975 A978 T992 T993 E994 E998 R999 F1000 W1002 Y1005 I1009L975-I996 HydrophobicContact CD2-CD1 3.68Å; A978-I996 HydrophobicContact CB-CD1 4.07Å; A978-I996 HydrophobicContact CB-CG1 3.91Å; T992-I996 HydrophobicContact CG2-CD1 4.09Å; T992-I996 PolarHBondContact O-N 3.4Å; T992-I996 VanDerWaalsContact O-N 3.11Å; T993-I996 PolarHBondContact O-N 2.82Å; E994-I996 PolarHBondContact O-N 3.01Å; I996-E998 PolarHBondContact O-N 2.96Å; I996-E998 VanDerWaalsContact O-N 3.13Å; I996-R999 PolarHBondContact O-N 3.48Å; I996-F1000 HydrophobicContact CG2-CB 4.24Å; I996-F1000 PolarHBondContact O-N 3.32Å; I996-F1000 VanDerWaalsContact O-O 3.11Å; I996-W1002 HydrophobicContact CD1-CH2 3.92Å; I996-W1002 HydrophobicContact CG1-CH2 4.25Å; I996-W1002 HydrophobicContact CG2-CH2 3.6Å; I996-W1002 HydrophobicContact CG2-CZ2 4.5Å; I996-W1002 HydrophobicContact CG2-CZ3 3.66Å; I996-Y1005 HydrophobicContact CG2-CD2 3.82Å; I996-I1009 HydrophobicContact CB-CD1 4.1Å; I996-I1009 HydrophobicContact CD1-CD1 3.42Å; I996-I1009 VanDerWaalsContact CD1-CD1 3.42Å; I996-I1009 HydrophobicContact CD1-CG1 3.48Å; I996-I1009 VanDerWaalsContact CD1-CG1 3.48Å; I996-I1009 HydrophobicContact CG1-CD1 4.34Å; I996-I1009 HydrophobicContact CG2-CD1 4.2Å
997R86.3Confident87.1Confident78 Ų7860.1 Ų60.129%0.29429%0.292SS..Hα-helixtrans-60.9-23.9-179.9178.3174.8144.3176.9-12.2112.9W952 Q963 T993 E994 R999W952-R997 HydrophobicContact CD2-CG 4.48Å; W952-R997 HydrophobicContact CZ2-CG 4.31Å; W952-R997 VanDerWaalsContact CZ2-CZ 3.42Å; Q963-R997 PolarHBondContact NE2-O 2.71Å; T993-R997 WeakPolarHBondContact O-CB 3.32Å; T993-R997 PolarHBondContact O-N 3.26Å; E994-R997 PolarHBondContact O-N 3.19Å; R997-R999 VanDerWaalsContact C-N 3.31Å; R997-R999 PolarHBondContact O-N 3.07Å
998E81Confident87.6Confident79 Ų7958 Ų5837%0.36928%0.282SS..THydrogen-bonded Turntrans-69.2-25.3175-75.7-158.5132.800114.2R961 E994 I996R961-E998 IonicContact CZ-OE1 2.59Å; R961-E998 IonicContact NH1-OE1 2.82Å; R961-E998 PolarHBondContact NH1-OE1 3.49Å; R961-E998 IonicContact NH1-OE2 2.95Å; R961-E998 IonicContact NH2-OE1 3.07Å; E994-E998 WeakPolarHBondContact O-CG 3.46Å; E994-E998 PolarHBondContact O-N 3.16Å; E994-E998 VanDerWaalsContact O-N 3.14Å; I996-E998 PolarHBondContact O-N 2.96Å; I996-E998 VanDerWaalsContact O-N 3.13Å
999R84.6Confident88.1Confident62 Ų6256.9 Ų56.923%0.23427%0.27CS..THydrogen-bonded Turntrans-143-18.8-166-58.4-170.7-168.1178.815.3117.1N886 Q963 V964 I996 R997N886-R999 PolarHBondContact O-NH1 2.81Å; N886-R999 PolarHBondContact O-NH2 2.72Å; Q963-R999 CarbonylContact C-O 3.6Å; Q963-R999 VanDerWaalsContact CA-O 3.24Å; Q963-R999 WeakPolarHBondContact CA-O 3.38Å; V964-R999 PolarHBondContact N-O 3.28Å; I996-R999 PolarHBondContact O-N 3.48Å; R997-R999 VanDerWaalsContact C-N 3.31Å; R997-R999 PolarHBondContact O-N 3.07Å
1000F91.4Very high88.3Confident13 Ų1359.8 Ų59.86%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-129.8152-173.3-59.2-67.3000110.7V888 L890 V964 V966 V974 I996 W1002V888-F1000 HydrophobicContact CB-CE2 3.65Å; V888-F1000 HydrophobicContact CB-CZ 3.72Å; V888-F1000 HydrophobicContact CG1-CE2 3.81Å; V888-F1000 HydrophobicContact CG1-CZ 3.73Å; V888-F1000 HydrophobicContact CG2-CE2 3.9Å; V888-F1000 HydrophobicContact CG2-CZ 4.48Å; L890-F1000 HydrophobicContact CD1-CD1 4.15Å; L890-F1000 HydrophobicContact CD1-CE1 3.32Å; L890-F1000 HydrophobicContact CD1-CZ 3.86Å; L890-F1000 HydrophobicContact CG-CE1 4.42Å; V964-F1000 HydrophobicContact CB-CD1 4.03Å; V964-F1000 HydrophobicContact CB-CE1 4.3Å; V964-F1000 WeakPolarHBondContact O-CA 3.42Å; V966-F1000 HydrophobicContact CG2-CB 3.8Å; V966-F1000 HydrophobicContact CG2-CD1 3.59Å; V966-F1000 HydrophobicContact CG2-CG 3.99Å; V974-F1000 HydrophobicContact CG1-CB 4.45Å; V974-F1000 HydrophobicContact CG1-CD2 3.7Å; V974-F1000 HydrophobicContact CG1-CE2 4.07Å; V974-F1000 HydrophobicContact CG1-CG 3.98Å; I996-F1000 HydrophobicContact CG2-CB 4.24Å; I996-F1000 PolarHBondContact O-N 3.32Å; I996-F1000 VanDerWaalsContact O-O 3.11Å; F1000-W1002 HydrophobicContact CB-CE3 4.33Å; F1000-W1002 HydrophobicContact CB-CZ3 3.81Å
1001Y93.2Very high88.6Confident14 Ų1453.8 Ų53.86%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-144.5139.6173.3175.4-105.5000110L934 N937 R950 V964 V965 V966 Y1005L934-Y1001 HydrophobicContact CD2-CD1 4.43Å; L934-Y1001 HydrophobicContact CD2-CE1 3.93Å; N937-Y1001 PolarHBondContact ND2-OH 2.82Å; R950-Y1001 HydrophobicContact CB-CD1 4.31Å; R950-Y1001 HydrophobicContact CG-CD1 4.48Å; V964-Y1001 PolarHBondContact O-N 2.91Å; V965-Y1001 CarbonylContact C-O 3.58Å; V965-Y1001 VanDerWaalsContact CA-O 3.26Å; V965-Y1001 WeakPolarHBondContact CA-O 3.42Å; V965-Y1001 HydrophobicContact CG2-CD1 4.39Å; V966-Y1001 PolarHBondContact N-O 2.69Å; Y1001-Y1005 HydrophobicContact CD2-CD1 4.44Å
1002W93.3Very high89Confident4 Ų451.3 Ų51.32%0.01525%0.252CS..  trans-151151.2159.457.398000107.9V966 I971 V974 L975 I996 F1000 G1004 Y1005 D1008V966-W1002 HydrophobicContact CB-CE3 3.8Å; V966-W1002 HydrophobicContact CB-CZ3 4.38Å; V966-W1002 HydrophobicContact CG2-CE3 3.78Å; V966-W1002 HydrophobicContact CG2-CZ3 4.03Å; I971-W1002 HydrophobicContact CD1-CB 4.4Å; I971-W1002 VanDerWaalsContact CD1-CD1 3.5Å; I971-W1002 HydrophobicContact CD1-CD2 4.29Å; I971-W1002 HydrophobicContact CD1-CG 3.85Å; I971-W1002 HydrophobicContact CG1-CD2 4.13Å; I971-W1002 HydrophobicContact CG1-CG 4.16Å; I971-W1002 HydrophobicContact CG2-CZ2 3.82Å; V974-W1002 HydrophobicContact CG1-CH2 4.11Å; V974-W1002 HydrophobicContact CG1-CZ3 4.02Å; L975-W1002 HydrophobicContact CD2-CH2 4.41Å; L975-W1002 HydrophobicContact CD2-CZ2 4.2Å; L975-W1002 HydrophobicContact CG-CZ2 4.36Å; I996-W1002 HydrophobicContact CD1-CH2 3.92Å; I996-W1002 HydrophobicContact CG1-CH2 4.25Å; I996-W1002 HydrophobicContact CG2-CH2 3.6Å; I996-W1002 HydrophobicContact CG2-CZ2 4.5Å; I996-W1002 HydrophobicContact CG2-CZ3 3.66Å; F1000-W1002 HydrophobicContact CB-CE3 4.33Å; F1000-W1002 HydrophobicContact CB-CZ3 3.81Å; W1002-G1004 PolarHBondContact O-N 2.65Å; W1002-Y1005 VanDerWaalsContact NE1-CA 3.26Å; W1002-Y1005 PolarHBondContact O-N 3.01Å; W1002-D1008 VanDerWaalsContact CD1-OD2 3.3Å; W1002-D1008 PolarHBondContact NE1-OD2 2.91Å
1003P89.6Confident89Confident26 Ų2651.9 Ų51.917%0.16926%0.255CS..THydrogen-bonded Turntrans-53.6124.3171.7-26.936.7000110.7A930 L933 L934A930-P1003 HydrophobicContact CB-CB 3.95Å; A930-P1003 HydrophobicContact CB-CG 4.01Å; A930-P1003 WeakPolarHBondContact O-CG 3.24Å; L933-P1003 HydrophobicContact CB-CB 3.87Å; L933-P1003 HydrophobicContact CB-CG 4.03Å; L933-P1003 HydrophobicContact CD1-CB 3.76Å; L933-P1003 HydrophobicContact CG-CB 4.48Å; L934-P1003 HydrophobicContact CD1-CG 4.45Å; L934-P1003 HydrophobicContact CD2-CG 4.3Å; L934-P1003 HydrophobicContact CG-CG 3.88Å
1004G87.7Confident88.8Confident36 Ų3653.1 Ų53.137%0.37127%0.271SS..THydrogen-bonded Turntrans88.65.8179.700000116.4W1002 R1006 T1007 D1008W1002-G1004 PolarHBondContact O-N 2.65Å; G1004-R1006 VanDerWaalsContact C-N 3.27Å; G1004-R1006 PolarHBondContact O-N 3.05Å; G1004-T1007 WeakPolarHBondContact O-CA 3.26Å; G1004-T1007 WeakPolarHBondContact O-CB 3.24Å; G1004-T1007 PolarHBondContact O-N 3.38Å; G1004-D1008 PolarHBondContact O-N 3.02Å; G1004-D1008 VanDerWaalsContact O-N 3.16Å
1005Y91Very high89Confident34 Ų3453.3 Ų53.313%0.13328%0.28CS..Hα-helixtrans-51.2-36.2-17580.1-80.2000116.1T993 I996 Y1001 W1002 T1007 D1008 I1009T993-Y1005 HydrophobicContact CG2-CE2 4.02Å; I996-Y1005 HydrophobicContact CG2-CD2 3.82Å; Y1001-Y1005 HydrophobicContact CD2-CD1 4.44Å; W1002-Y1005 VanDerWaalsContact NE1-CA 3.26Å; W1002-Y1005 PolarHBondContact O-N 3.01Å; Y1005-T1007 VanDerWaalsContact C-N 3.33Å; Y1005-T1007 PolarHBondContact O-N 3.48Å; Y1005-D1008 PolarHBondContact O-N 3.18Å; Y1005-I1009 HydrophobicContact CD2-CD1 3.73Å; Y1005-I1009 HydrophobicContact CE2-CD1 4.34Å; Y1005-I1009 WeakPolarHBondContact O-CB 3.07Å; Y1005-I1009 WeakPolarHBondContact O-CD1 3.46Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; Y1005-I1009 PolarHBondContact O-N 3.11Å
1006R88.7Confident89Confident135 Ų13549.9 Ų49.951%0.50927%0.268SS..Hα-helixtrans-65.6-36.3176.1-72.5-175.2175.6162.2-7112.7T993 G1004 K1010T993-R1006 HydrophobicContact CG2-CG 4.32Å; G1004-R1006 VanDerWaalsContact C-N 3.27Å; G1004-R1006 PolarHBondContact O-N 3.05Å; R1006-K1010 WeakPolarHBondContact O-CB 3.47Å; R1006-K1010 PolarHBondContact O-N 3.12Å
1007T90.4Very high88.7Confident101 Ų10158.8 Ų58.862%0.6230%0.303SS*.Hα-helixtrans-68.5-45.4177.5-52.60000109.9G1004 Y1005 I1009 K1010 G1011G1004-T1007 WeakPolarHBondContact O-CA 3.26Å; G1004-T1007 WeakPolarHBondContact O-CB 3.24Å; G1004-T1007 PolarHBondContact O-N 3.38Å; Y1005-T1007 VanDerWaalsContact C-N 3.33Å; Y1005-T1007 PolarHBondContact O-N 3.48Å; T1007-I1009 PolarHBondContact O-N 2.93Å; T1007-K1010 PolarHBondContact O-N 2.82Å; T1007-G1011 PolarHBondContact O-N 3.24Å
1008D92.2Very high88.5Confident59 Ų5959.2 Ų59.232%0.31631%0.309SS..Hα-helixtrans-65.5-38.7177.9-60.3-28000111.8I971 L975 W1002 G1004 Y1005 G1011 Y1012I971-D1008 HydrophobicContact CG2-CB 4.46Å; L975-D1008 HydrophobicContact CD1-CB 4.16Å; W1002-D1008 VanDerWaalsContact CD1-OD2 3.3Å; W1002-D1008 PolarHBondContact NE1-OD2 2.91Å; G1004-D1008 PolarHBondContact O-N 3.02Å; G1004-D1008 VanDerWaalsContact O-N 3.16Å; Y1005-D1008 PolarHBondContact O-N 3.18Å; D1008-G1011 PolarHBondContact O-N 2.92Å; D1008-Y1012 VanDerWaalsContact O-CB 3.29Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.3Å; D1008-Y1012 PolarHBondContact O-N 2.98Å
1009I91.6Very high88.5Confident0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-61.9-46.3172.4-68.1164.8000110.8L975 M989 T992 I996 Y1005 T1007 G1011 Y1012 V1013L975-I1009 HydrophobicContact CD2-CB 4.35Å; L975-I1009 HydrophobicContact CD2-CG1 3.55Å; M989-I1009 HydrophobicContact CG-CG2 4.2Å; T992-I1009 HydrophobicContact CG2-CG2 3.89Å; I996-I1009 HydrophobicContact CB-CD1 4.1Å; I996-I1009 HydrophobicContact CD1-CD1 3.42Å; I996-I1009 VanDerWaalsContact CD1-CD1 3.42Å; I996-I1009 HydrophobicContact CD1-CG1 3.48Å; I996-I1009 VanDerWaalsContact CD1-CG1 3.48Å; I996-I1009 HydrophobicContact CG1-CD1 4.34Å; I996-I1009 HydrophobicContact CG2-CD1 4.2Å; Y1005-I1009 HydrophobicContact CD2-CD1 3.73Å; Y1005-I1009 HydrophobicContact CE2-CD1 4.34Å; Y1005-I1009 WeakPolarHBondContact O-CB 3.07Å; Y1005-I1009 WeakPolarHBondContact O-CD1 3.46Å; Y1005-I1009 WeakPolarHBondContact O-CG1 3.33Å; Y1005-I1009 PolarHBondContact O-N 3.11Å; T1007-I1009 PolarHBondContact O-N 2.93Å; I1009-G1011 VanDerWaalsContact C-N 3.32Å; I1009-G1011 PolarHBondContact O-N 3.15Å; I1009-Y1012 PolarHBondContact O-N 2.94Å; I1009-V1013 HydrophobicContact CG2-CG2 4.1Å; I1009-V1013 WeakPolarHBondContact O-CB 3.22Å; I1009-V1013 VanDerWaalsContact O-CG2 3.28Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; I1009-V1013 PolarHBondContact O-N 2.76Å
1010K89.8Confident88.2Confident141 Ų14157.4 Ų57.461%0.61331%0.306SS*.Hα-helixtrans-60.3-43.5178.2-175.1-178.7177.6-175.90111M989 R1006 T1007 G1014M989-K1010 HydrophobicContact CE-CB 4.2Å; M989-K1010 HydrophobicContact SD-CB 4.25Å; M989-K1010 HydrophobicContact SD-CG 4.25Å; R1006-K1010 WeakPolarHBondContact O-CB 3.47Å; R1006-K1010 PolarHBondContact O-N 3.12Å; T1007-K1010 PolarHBondContact O-N 2.82Å; K1010-G1014 PolarHBondContact O-N 2.78Å
1011G89.6Confident87.4Confident40 Ų4061 Ų6141%0.41233%0.329SS..Hα-helixtrans-63-46.1175.500000112.6T1007 D1008 I1009 G1014 T1015T1007-G1011 PolarHBondContact O-N 3.24Å; D1008-G1011 PolarHBondContact O-N 2.92Å; I1009-G1011 VanDerWaalsContact C-N 3.32Å; I1009-G1011 PolarHBondContact O-N 3.15Å; G1011-G1014 PolarHBondContact O-N 2.83Å; G1011-T1015 WeakPolarHBondContact O-CB 3.47Å; G1011-T1015 WeakPolarHBondContact O-CG2 3.32Å; G1011-T1015 PolarHBondContact O-N 2.97Å; G1011-T1015 PolarHBondContact O-OG1 3.01Å
1012Y91.5Very high86.1Confident45 Ų4569 Ų6918%0.17636%0.359CS..Hα-helixtrans-64.8-48.6179.6-165.8-83.6000112.3L975 K976 H979 E980 D1008 I1009 G1014 T1015 C1016L975-Y1012 HydrophobicContact CB-CD1 4.23Å; L975-Y1012 HydrophobicContact CB-CD2 3.6Å; L975-Y1012 HydrophobicContact CB-CE1 4.46Å; L975-Y1012 HydrophobicContact CB-CE2 3.82Å; L975-Y1012 HydrophobicContact CB-CG 3.83Å; L975-Y1012 HydrophobicContact CD1-CD2 3.86Å; L975-Y1012 HydrophobicContact CD1-CG 4.17Å; L975-Y1012 HydrophobicContact CG-CD2 4.3Å; L975-Y1012 HydrophobicContact CG-CG 4.41Å; K976-Y1012 VanDerWaalsContact CA-OH 3.24Å; K976-Y1012 WeakPolarHBondContact CA-OH 3.06Å; K976-Y1012 VanDerWaalsContact CB-OH 3.3Å; K976-Y1012 WeakPolarHBondContact CB-OH 3.16Å; H979-Y1012 HydrophobicContact CB-CD1 4.19Å; H979-Y1012 HydrophobicContact CB-CE1 4.02Å; E980-Y1012 HydrophobicContact CG-CE1 4.45Å; E980-Y1012 PolarHBondContact OE1-OH 2.81Å; D1008-Y1012 VanDerWaalsContact O-CB 3.29Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.3Å; D1008-Y1012 PolarHBondContact O-N 2.98Å; I1009-Y1012 PolarHBondContact O-N 2.94Å; Y1012-G1014 VanDerWaalsContact C-N 3.33Å; Y1012-G1014 PolarHBondContact O-N 2.9Å; Y1012-T1015 PolarHBondContact O-N 3.34Å; Y1012-T1015 PolarHBondContact O-OG1 2.79Å; Y1012-C1016 PolarHBondContact O-N 2.76Å; Y1012-C1016 VanDerWaalsContact O-N 3.12Å
1013V88.1Confident84.3Confident16 Ų1674.4 Ų74.410%0.09739%0.389CS..Hα-helixtrans-66.8-36.8178.4177.90000111T992 I1009 T1015 C1016T992-V1013 HydrophobicContact CG2-CG2 4.47Å; I1009-V1013 HydrophobicContact CG2-CG2 4.1Å; I1009-V1013 WeakPolarHBondContact O-CB 3.22Å; I1009-V1013 VanDerWaalsContact O-CG2 3.28Å; I1009-V1013 WeakPolarHBondContact O-CG2 3.42Å; I1009-V1013 PolarHBondContact O-N 2.76Å; V1013-T1015 VanDerWaalsContact C-N 3.3Å; V1013-T1015 PolarHBondContact O-N 3.39Å; V1013-C1016 WeakPolarHBondContact O-CB 3.48Å; V1013-C1016 PolarHBondContact O-N 3.43Å
1014G84.5Confident82.6Confident43 Ų4375.9 Ų75.944%0.44341%0.409SS..Hα-helixtrans-72.3-16.8177.200000114.9K1010 G1011 Y1012 N1020K1010-G1014 PolarHBondContact O-N 2.78Å; G1011-G1014 PolarHBondContact O-N 2.83Å; Y1012-G1014 VanDerWaalsContact C-N 3.33Å; Y1012-G1014 PolarHBondContact O-N 2.9Å; G1014-N1020 PolarHBondContact O-ND2 3.07Å; G1014-N1020 PolarHBondContact O-OD1 3.19Å
1015T88.4Confident80.9Confident110 Ų11080.6 Ų80.668%0.67543%0.433SS*.Hα-helixtrans-102.9-3.3174.750.20000112.8G1011 Y1012 V1013 Y1017G1011-T1015 WeakPolarHBondContact O-CB 3.47Å; G1011-T1015 WeakPolarHBondContact O-CG2 3.32Å; G1011-T1015 PolarHBondContact O-N 2.97Å; G1011-T1015 PolarHBondContact O-OG1 3.01Å; Y1012-T1015 PolarHBondContact O-N 3.34Å; Y1012-T1015 PolarHBondContact O-OG1 2.79Å; V1013-T1015 VanDerWaalsContact C-N 3.3Å; V1013-T1015 PolarHBondContact O-N 3.39Å; T1015-Y1017 PolarHBondContact O-N 3.39Å
1016C86.3Confident78.7Confident11 Ų1186.8 Ų86.87%0.07447%0.468CS..  trans-69.9117.4-1801780000111.3H979 H986 Y1012 V1013 E1018 C1019 N1020H979-C1016 PolarHBondContact NE2-SG 2.98Å; H979-C1016 VanDerWaalsContact NE2-SG 3.43Å; H986-C1016 PolarHBondContact CE1-SG 3.23Å; H986-C1016 PolarHBondContact ND1-SG 3.2Å; Y1012-C1016 PolarHBondContact O-N 2.76Å; Y1012-C1016 VanDerWaalsContact O-N 3.12Å; V1013-C1016 WeakPolarHBondContact O-CB 3.48Å; V1013-C1016 PolarHBondContact O-N 3.43Å; C1016-E1018 VanDerWaalsContact C-N 3.34Å; C1016-E1018 PolarHBondContact O-N 3.37Å; C1016-C1019 HydrophobicContact CB-CB 3.98Å; C1016-C1019 PolarHBondContact O-N 3.38Å; C1016-C1019 VanDerWaalsContact O-N 3.14Å; C1016-N1020 PolarHBondContact O-N 3.06Å
1017Y83.8Confident76.8Confident188 Ų18886.1 Ų86.174%0.73748%0.48SS*.Hα-helixtrans-56.2-43.9-178.9178.8-98.5000112.7T1015 C1019 N1020 T1021T1015-Y1017 PolarHBondContact O-N 3.39Å; Y1017-C1019 VanDerWaalsContact C-N 3.33Å; Y1017-C1019 PolarHBondContact O-N 2.85Å; Y1017-N1020 PolarHBondContact O-N 3.25Å; Y1017-T1021 HydrophobicContact CD2-CG2 4.36Å; Y1017-T1021 HydrophobicContact CE1-CG2 4.21Å; Y1017-T1021 HydrophobicContact CE2-CG2 4.02Å; Y1017-T1021 WeakPolarHBondContact O-CB 3.46Å; Y1017-T1021 WeakPolarHBondContact O-CG2 3.45Å; Y1017-T1021 PolarHBondContact O-N 3.48Å; Y1017-T1021 VanDerWaalsContact O-N 3.09Å; Y1017-T1021 PolarHBondContact O-OG1 3.31Å
1018E81.8Confident74.8Confident86 Ų8691.1 Ų91.140%0.40249%0.494SS..Hα-helixtrans-66.4-33.2179-64.3-163.7-165.400113.1H986 C1016 T1021 R1022H986-E1018 IonicContact CD2-OE2 2.91Å; H986-E1018 PolarHBondContact CD2-OE2 3.3Å; H986-E1018 IonicContact CE1-OE2 3.66Å; H986-E1018 IonicContact CG-OE2 2.65Å; H986-E1018 IonicContact NE2-OE1 2.7Å; H986-E1018 IonicContact NE2-OE2 2.69Å; H986-E1018 PolarHBondContact NE2-OE2 3.2Å; C1016-E1018 VanDerWaalsContact C-N 3.34Å; C1016-E1018 PolarHBondContact O-N 3.37Å; E1018-T1021 PolarHBondContact O-OG1 3.08Å; E1018-R1022 WeakPolarHBondContact O-CG 3.21Å
1019C81.7Confident72.9Confident6 Ų692.2 Ų92.24%0.04152%0.519CS..Hα-helixtrans-76.1-42.5177.7-72.90000111.8H979 C1016 Y1017 T1021 R1022 N1023H979-C1019 VanDerWaalsContact CE1-SG 3.57Å; H979-C1019 PolarHBondContact NE2-SG 3.15Å; C1016-C1019 HydrophobicContact CB-CB 3.98Å; C1016-C1019 PolarHBondContact O-N 3.38Å; C1016-C1019 VanDerWaalsContact O-N 3.14Å; Y1017-C1019 VanDerWaalsContact C-N 3.33Å; Y1017-C1019 PolarHBondContact O-N 2.85Å; C1019-T1021 VanDerWaalsContact C-N 3.34Å; C1019-R1022 PolarHBondContact O-N 2.76Å; C1019-N1023 PolarHBondContact O-N 2.75Å; C1019-N1023 PolarHBondContact O-ND2 3.04Å; C1019-N1023 VanDerWaalsContact O-ND2 3.12Å
1020N77.9Confident70.9Confident97 Ų97102.3 Ų102.352%0.51956%0.563SS.*Hα-helixtrans-70.7-29.3-178.1-78.9-14.5000113G1014 C1016 Y1017G1014-N1020 PolarHBondContact O-ND2 3.07Å; G1014-N1020 PolarHBondContact O-OD1 3.19Å; C1016-N1020 PolarHBondContact O-N 3.06Å; Y1017-N1020 PolarHBondContact O-N 3.25Å
1021T75.3Confident69Low88 Ų8899.7 Ų99.754%0.5457%0.567SS.*Hα-helixtrans-75.9-23.9175.647.60000113.2Y1017 E1018 C1019Y1017-T1021 HydrophobicContact CD2-CG2 4.36Å; Y1017-T1021 HydrophobicContact CE1-CG2 4.21Å; Y1017-T1021 HydrophobicContact CE2-CG2 4.02Å; Y1017-T1021 WeakPolarHBondContact O-CB 3.46Å; Y1017-T1021 WeakPolarHBondContact O-CG2 3.45Å; Y1017-T1021 PolarHBondContact O-N 3.48Å; Y1017-T1021 VanDerWaalsContact O-N 3.09Å; Y1017-T1021 PolarHBondContact O-OG1 3.31Å; E1018-T1021 PolarHBondContact O-OG1 3.08Å; C1019-T1021 VanDerWaalsContact C-N 3.34Å
1022R65.8Low67.3Low182 Ų182101.3 Ų101.369%0.68757%0.571SS**Hα-helixtrans-95.6-27.3-177-72.4-179.2177.6165.66115E1018 C1019E1018-R1022 WeakPolarHBondContact O-CG 3.21Å; C1019-R1022 PolarHBondContact O-N 2.76Å
1023N54.4Low65.6Low118 Ų118107.1 Ų107.163%0.63160%0.604SS**  trans-102.394.9-174.3-66.3-51000111.4C1019C1019-N1023 PolarHBondContact O-N 2.75Å; C1019-N1023 PolarHBondContact O-ND2 3.04Å; C1019-N1023 VanDerWaalsContact O-ND2 3.12Å
1024G53.3Low64.1Low57 Ų57111.9 Ų111.959%0.58863%0.625SS**PPolyproline II helixtrans-61.5159160.800000111.5L1026G1024-L1026 PolarHBondContact O-N 3.5Å
1025P52.7Low63Low135 Ų135113.8 Ų113.888%0.87763%0.63SS**PPolyproline II helixtrans-61.3119.5-175.6-15.427.3000111.8
1026L45.9Very low62Low165 Ų165112.2 Ų112.286%0.86462%0.616SS**PPolyproline II helixtrans-69.3128.9172.6-84.8152.7000110.6G1024G1024-L1026 PolarHBondContact O-N 3.5Å
1027P48.6Very low61.4Low120 Ų120121.6 Ų121.678%0.77965%0.65SS**PPolyproline II helixtrans-65.4148.4177.3-18.330.5000113.6
1028K48.3Very low61.4Low207 Ų207113.7 Ų113.790%0.962%0.624SS**SBendtrans-55.1150.4-178.9-67.8175.9178.8175.80113.4
1029G51.9Low61.6Low82 Ų82114.4 Ų114.485%0.84563%0.634SS**  trans-39.8132.4-166.300000117.7
1030K48.7Very low61.9Low212 Ų212120.8 Ų120.892%0.92266%0.658SS**PPolyproline II helixtrans-67.8135.7176.6-68.9179.9175.7-178.30111.1
1031A50.8Low62.5Low85 Ų85124.4 Ų124.470%0.70266%0.664SS**PPolyproline II helixtrans-61152.4171.200000111.6L1033A1031-L1033 PolarHBondContact O-N 3.07Å
1032P53.8Low63.1Low75 Ų75123.1 Ų123.149%0.48765%0.649SS.*PPolyproline II helixtrans-54.5132177.5-18.526.6000112H1034P1032-H1034 PolarHBondContact O-N 2.76Å; P1032-H1034 VanDerWaalsContact O-N 3.17Å
1033L56.5Low64.3Low166 Ų166116.4 Ų116.487%0.86963%0.626SS**  trans-71106.4176.8-82151.1000110.2A1031A1031-L1033 PolarHBondContact O-N 3.07Å
1034H55.4Low66.1Low116 Ų116114.3 Ų114.354%0.53761%0.609SS.*  trans-89.6127171.1-71.7-70.7000110.7P1032 L1036P1032-H1034 PolarHBondContact O-N 2.76Å; P1032-H1034 VanDerWaalsContact O-N 3.17Å; H1034-L1036 PolarHBondContact O-N 2.76Å; H1034-L1036 VanDerWaalsContact O-N 3.13Å
1035P61.7Low68.1Low84 Ų84111.6 Ų111.655%0.54558%0.581SS.*  trans-65.8115.1173.923.8-29.8000110.2R1037P1035-R1037 PolarHBondContact O-N 2.91Å
1036L67.8Low70Confident76 Ų76106 Ų10640%0.39855%0.546SS..  trans-74.6102.1173.9-64.3171.5000109H1034 R1044 Y1069H1034-L1036 PolarHBondContact O-N 2.76Å; H1034-L1036 VanDerWaalsContact O-N 3.13Å; L1036-R1044 VanDerWaalsContact CD2-NH1 3.3Å; L1036-Y1069 HydrophobicContact CB-CE1 4.37Å
1037R72.5Confident72.3Confident208 Ų20898.3 Ų98.379%0.78551%0.506SS*.  trans-78.8127.6175.5-72.8-175.6172.8174.6-0.6110.8P1035P1035-R1037 PolarHBondContact O-N 2.91Å
1038A84.3Confident74.5Confident22 Ų2297.2 Ų97.218%0.18249%0.493CS..  trans-105.7141.816400000109Q1043 F1070A1038-Q1043 VanDerWaalsContact CA-OE1 3.25Å; A1038-F1070 HydrophobicContact CB-CB 3.92Å; A1038-F1070 WeakPolarHBondContact O-CD2 3.22Å
1039T85.7Confident76.7Confident102 Ų10288.4 Ų88.463%0.62646%0.456SS*.  trans-108.2-18-174570000113.7Q1043 F1070T1039-Q1043 PolarHBondContact OG1-OE1 2.87Å; T1039-Q1043 VanDerWaalsContact OG1-OE1 3.12Å; T1039-F1070 VanDerWaalsContact C-CD2 3.47Å; T1039-F1070 VanDerWaalsContact O-CE2 3.22Å; T1039-F1070 WeakPolarHBondContact O-CE2 3.36Å
1040R89.1Confident78.5Confident140 Ų14089.1 Ų89.153%0.52844%0.44SS..SBendtrans-144.5157.6176.560.5179.7167.6-130.43.8111W1042 Q1043 F1070 E1103R1040-W1042 PolarHBondContact O-N 3.48Å; R1040-Q1043 HydrophobicContact CG-CB 3.87Å; R1040-Q1043 HydrophobicContact CG-CG 4.46Å; R1040-Q1043 WeakPolarHBondContact O-CB 3.38Å; R1040-Q1043 PolarHBondContact O-N 2.93Å; R1040-F1070 VanDerWaalsContact C-CG 3.45Å; R1040-F1070 VanDerWaalsContact O-CB 3.3Å; R1040-F1070 WeakPolarHBondContact O-CB 2.86Å; R1040-E1103 IonicContact CZ-OE1 2.82Å; R1040-E1103 IonicContact NE-OE1 3.89Å; R1040-E1103 PolarHBondContact NE-OE1 3.33Å; R1040-E1103 IonicContact NH2-OE1 3.83Å; R1040-E1103 PolarHBondContact NH2-OE1 3.5Å; R1040-E1103 IonicContact NH2-OE2 3.92Å; R1040-E1103 PolarHBondContact NH2-OE2 3.47Å
1041R89.8Confident80.4Confident173 Ų17380.8 Ų80.865%0.65341%0.414SS*.THydrogen-bonded Turntrans-52.9137.5172.3-74.7-175.3-100.1168.2-4.7110Q1043 F1070R1041-Q1043 PolarHBondContact O-N 2.7Å; R1041-Q1043 VanDerWaalsContact O-N 3.17Å; R1041-F1070 HydrophobicContact CB-CD1 4.33Å; R1041-F1070 HydrophobicContact CG-CD1 3.59Å; R1041-F1070 HydrophobicContact CG-CE1 3.98Å
1042W88.7Confident82Confident60 Ų6080.9 Ų80.923%0.22741%0.407CS..THydrogen-bonded Turntrans66.97.1176.3-40127.6000115.7R1040 I1045 D1068 F1073 F1095 Y1099 P1102R1040-W1042 PolarHBondContact O-N 3.48Å; W1042-I1045 HydrophobicContact CE3-CG2 4.4Å; W1042-D1068 HydrophobicContact CE3-CB 3.8Å; W1042-D1068 HydrophobicContact CZ3-CB 3.68Å; W1042-D1068 PolarHBondContact N-OD1 2.77Å; W1042-F1073 AromaticContact CH2-CD1 3.56Å; W1042-F1073 HydrophobicContact CH2-CD1 3.56Å; W1042-F1073 HydrophobicContact CH2-CE1 4Å; W1042-F1073 HydrophobicContact CH2-CG 4.32Å; W1042-F1073 HydrophobicContact CZ3-CD1 4.17Å; W1042-F1095 AromaticContact CE3-CZ 3.97Å; W1042-F1095 HydrophobicContact CE3-CZ 3.97Å; W1042-F1095 HydrophobicContact CH2-CZ 4.49Å; W1042-F1095 HydrophobicContact CZ3-CE2 4.26Å; W1042-F1095 AromaticContact CZ3-CZ 3.65Å; W1042-F1095 HydrophobicContact CZ3-CZ 3.65Å; W1042-Y1099 AromaticContact CE2-CD1 3.99Å; W1042-Y1099 HydrophobicContact CH2-CD1 4.09Å; W1042-Y1099 HydrophobicContact CH2-CD2 4.38Å; W1042-Y1099 HydrophobicContact CH2-CE1 4.3Å; W1042-Y1099 HydrophobicContact CH2-CG 4.13Å; W1042-Y1099 AromaticContact CZ2-CD1 3.55Å; W1042-Y1099 HydrophobicContact CZ2-CD1 3.55Å; W1042-Y1099 AromaticContact CZ2-CE1 3.94Å; W1042-Y1099 HydrophobicContact CZ2-CE1 3.94Å; W1042-Y1099 AromaticContact CZ2-CG 3.91Å; W1042-Y1099 HydrophobicContact CZ2-CG 3.91Å; W1042-P1102 VanDerWaalsContact O-CA 3.23Å; W1042-P1102 WeakPolarHBondContact O-CA 3.23Å; W1042-P1102 VanDerWaalsContact O-CB 3.25Å; W1042-P1102 WeakPolarHBondContact O-CB 3.14Å
1043Q90.3Very high83.5Confident42 Ų4281 Ų8120%0.19640%0.403CS..SBendtrans-62.7-45.6174-171.4-171.614.700111.2A1038 T1039 R1040 R1041 E1103 A1104A1038-Q1043 VanDerWaalsContact CA-OE1 3.25Å; T1039-Q1043 PolarHBondContact OG1-OE1 2.87Å; T1039-Q1043 VanDerWaalsContact OG1-OE1 3.12Å; R1040-Q1043 HydrophobicContact CG-CB 3.87Å; R1040-Q1043 HydrophobicContact CG-CG 4.46Å; R1040-Q1043 WeakPolarHBondContact O-CB 3.38Å; R1040-Q1043 PolarHBondContact O-N 2.93Å; R1041-Q1043 PolarHBondContact O-N 2.7Å; R1041-Q1043 VanDerWaalsContact O-N 3.17Å; Q1043-E1103 HydrophobicContact CG-CB 4.47Å; Q1043-E1103 WeakPolarHBondContact O-CB 3.43Å; Q1043-E1103 PolarHBondContact O-N 3.04Å; Q1043-A1104 PolarHBondContact O-N 3.33Å
1044R92.5Very high84.8Confident74 Ų7479.8 Ų79.828%0.27940%0.402SS..EExtended strand (participates in β ladder)trans-138.4127.8178.4-178.2172.9-73157.1-2110.1L1036 Y1069 A1104L1036-R1044 VanDerWaalsContact CD2-NH1 3.3Å; R1044-Y1069 HydrophobicContact CB-CD2 4.29Å; R1044-Y1069 HydrophobicContact CG-CD2 3.73Å; R1044-Y1069 HydrophobicContact CG-CE2 4.16Å; R1044-Y1069 HydrophobicContact CG-CG 4.37Å; R1044-Y1069 WeakPolarHBondContact O-CB 3.35Å; R1044-Y1069 PolarHBondContact O-N 3.1Å; R1044-A1104 VanDerWaalsContact CA-O 3.27Å; R1044-A1104 WeakPolarHBondContact CA-O 3.28Å; R1044-A1104 HydrophobicContact CB-CB 4.21Å; R1044-A1104 HydrophobicContact CG-CB 4.03Å
1045I94.2Very high86.5Confident0 Ų078 Ų780%040%0.4CS..EExtended strand (participates in β ladder)trans-109.6143.6172.662.6169.7000110.3W1042 I1047 V1066 M1067 L1091 F1095 P1102 A1104 I1105 H1106W1042-I1045 HydrophobicContact CE3-CG2 4.4Å; I1045-I1047 HydrophobicContact CD1-CD1 3.93Å; I1045-I1047 HydrophobicContact CD1-CG1 4.03Å; I1045-I1047 HydrophobicContact CG1-CG1 4.34Å; I1045-V1066 HydrophobicContact CB-CG1 4.11Å; I1045-V1066 HydrophobicContact CD1-CG1 3.72Å; I1045-V1066 HydrophobicContact CG1-CG1 4.44Å; I1045-V1066 HydrophobicContact CG2-CG1 4.48Å; I1045-M1067 CarbonylContact C-O 3.53Å; I1045-M1067 VanDerWaalsContact CA-O 3.24Å; I1045-M1067 WeakPolarHBondContact CA-O 3.41Å; I1045-L1091 HydrophobicContact CD1-CD1 4.42Å; I1045-F1095 HydrophobicContact CD1-CD1 4.27Å; I1045-F1095 HydrophobicContact CD1-CE1 3.88Å; I1045-F1095 HydrophobicContact CG2-CE1 4.05Å; I1045-F1095 HydrophobicContact CG2-CZ 4.06Å; I1045-P1102 HydrophobicContact CD1-CB 4.34Å; I1045-P1102 HydrophobicContact CD1-CG 3.68Å; I1045-P1102 HydrophobicContact CG1-CB 4.09Å; I1045-P1102 HydrophobicContact CG1-CG 3.84Å; I1045-P1102 HydrophobicContact CG2-CB 4.2Å; I1045-A1104 PolarHBondContact N-O 3.22Å; I1045-I1105 HydrophobicContact CD1-CG1 4.08Å; I1045-I1105 HydrophobicContact CG1-CB 4.43Å; I1045-I1105 HydrophobicContact CG1-CG1 3.99Å; I1045-I1105 HydrophobicContact CG1-CG2 4.42Å; I1045-H1106 PolarHBondContact O-N 3.13Å
1046A93.9Very high87.7Confident16 Ų1676.3 Ų76.313%0.13239%0.39CS..EExtended strand (participates in β ladder)trans-90.4137.9161.800000108.6V1066 M1067 Y1069 H1106A1046-V1066 CarbonylContact O-C 3.5Å; A1046-V1066 WeakPolarHBondContact O-CA 3.44Å; A1046-M1067 HydrophobicContact CB-CB 4.43Å; A1046-M1067 HydrophobicContact CB-CE 4.05Å; A1046-M1067 PolarHBondContact N-O 3.18Å; A1046-M1067 PolarHBondContact O-N 3.03Å; A1046-Y1069 HydrophobicContact CB-CD2 4.29Å; A1046-Y1069 HydrophobicContact CB-CE2 3.5Å; A1046-H1106 CarbonylContact C-O 3.58Å; A1046-H1106 VanDerWaalsContact CA-O 3.28Å; A1046-H1106 WeakPolarHBondContact CA-O 3.08Å
1047I94.4Very high88.6Confident5 Ų582.7 Ų82.73%0.02642%0.418CS..EExtended strand (participates in β ladder)trans-124.5131.7170.4-49.2178.3000108.4I1045 L1064 V1065 V1066 L1091 I1105 H1106 T1107 F1113I1045-I1047 HydrophobicContact CD1-CD1 3.93Å; I1045-I1047 HydrophobicContact CD1-CG1 4.03Å; I1045-I1047 HydrophobicContact CG1-CG1 4.34Å; I1047-L1064 HydrophobicContact CG2-CD1 3.4Å; I1047-L1064 VanDerWaalsContact CG2-CD1 3.4Å; I1047-L1064 HydrophobicContact CG2-CG 4.08Å; I1047-V1065 CarbonylContact C-O 3.49Å; I1047-V1065 VanDerWaalsContact CA-O 3.27Å; I1047-V1065 WeakPolarHBondContact CA-O 3.25Å; I1047-V1066 HydrophobicContact CG1-CG1 4.27Å; I1047-V1066 HydrophobicContact CG1-CG2 4.29Å; I1047-V1066 HydrophobicContact CG2-CG2 4.28Å; I1047-L1091 HydrophobicContact CD1-CD1 3.54Å; I1047-L1091 HydrophobicContact CD1-CD2 3.5Å; I1047-L1091 VanDerWaalsContact CD1-CD2 3.5Å; I1047-L1091 HydrophobicContact CD1-CG 4.16Å; I1047-I1105 HydrophobicContact CD1-CD1 4.46Å; I1047-I1105 HydrophobicContact CD1-CG2 3.36Å; I1047-I1105 HydrophobicContact CG1-CG2 3.82Å; I1047-H1106 PolarHBondContact N-O 2.46Å; I1047-T1107 HydrophobicContact CB-CG2 4.03Å; I1047-F1113 HydrophobicContact CB-CE1 4.17Å; I1047-F1113 HydrophobicContact CB-CZ 4.39Å; I1047-F1113 HydrophobicContact CG2-CE1 3.53Å; I1047-F1113 HydrophobicContact CG2-CZ 3.86Å
1048D94.4Very high89.3Confident96 Ų9678 Ų7851%0.51341%0.413SS..EExtended strand (participates in β ladder)trans-140.4160177.6-162.55.6000109.9V1065D1048-V1065 PolarHBondContact N-O 3.48Å; D1048-V1065 PolarHBondContact O-N 3.47Å
1049I93.6Very high89.6Confident23 Ų2378.7 Ų78.712%0.11842%0.421CS..EExtended strand (participates in β ladder)trans-120.5122.7176.7-62.5-178.5000109.6Y1062 I1063 L1064 I1079 Q1082 V1087 Q1112 F1113I1049-Y1062 HydrophobicContact CG2-CD1 4.01Å; I1049-Y1062 HydrophobicContact CG2-CG 4.33Å; I1049-I1063 CarbonylContact C-O 3.53Å; I1049-I1063 WeakPolarHBondContact CA-O 3.2Å; I1049-L1064 HydrophobicContact CD1-CD1 4.13Å; I1049-L1064 HydrophobicContact CG1-CD1 3.65Å; I1049-I1079 HydrophobicContact CD1-CD1 4.2Å; I1049-Q1082 HydrophobicContact CD1-CB 4.08Å; I1049-V1087 HydrophobicContact CD1-CG2 3.73Å; I1049-Q1112 HydrophobicContact CD1-CB 4.43Å; I1049-Q1112 HydrophobicContact CD1-CG 3.8Å; I1049-F1113 HydrophobicContact CD1-CZ 4.15Å; I1049-F1113 HydrophobicContact CG1-CZ 3.94Å
1050L91.3Very high89.9Confident97 Ų9775.2 Ų75.251%0.50840%0.399SS..EExtended strand (participates in β ladder)trans-96.5119172177.667.5000110L1053 Y1062 I1063L1050-L1053 HydrophobicContact CD2-CD1 4.43Å; L1050-L1053 HydrophobicContact CG-CD1 4.45Å; L1050-Y1062 CarbonylContact O-C 3.56Å; L1050-Y1062 WeakPolarHBondContact O-CA 3.35Å; L1050-I1063 HydrophobicContact CB-CB 4.33Å; L1050-I1063 HydrophobicContact CD2-CD1 4.47Å; L1050-I1063 PolarHBondContact N-O 3Å; L1050-I1063 PolarHBondContact O-N 3.24Å
1051G88Confident90.1Very high37 Ų3774 Ų7438%0.38140%0.395SS..  trans161.3-175.7171.600000112.8
1052P83.4Confident90.4Very high86 Ų8667.6 Ų67.656%0.55837%0.37SS*.  cis-70.8142.9127.6-32.8000113R1061 Y1062P1052-R1061 CarbonylContact C-O 3.56Å; P1052-R1061 WeakPolarHBondContact CA-O 3.32Å; P1052-Y1062 HydrophobicContact CB-CE1 3.91Å
1053L85.1Confident90.7Very high78 Ų7867.1 Ų67.141%0.40837%0.372SS..  trans-109.7173.3172.9-61.5175.4000110.2L1050 T1055 R1061 I1063L1050-L1053 HydrophobicContact CD2-CD1 4.43Å; L1050-L1053 HydrophobicContact CG-CD1 4.45Å; L1053-T1055 PolarHBondContact O-N 2.95Å; L1053-R1061 PolarHBondContact N-O 3.46Å; L1053-I1063 HydrophobicContact CD1-CD1 3.42Å; L1053-I1063 VanDerWaalsContact CD1-CD1 3.42Å; L1053-I1063 HydrophobicContact CD1-CG1 3.79Å
1054V85.6Confident91Very high140 Ų14065.1 Ų65.185%0.84836%0.362SS*.PPolyproline II helixtrans-56.9132.9171.5-176.10000109S1056V1054-S1056 PolarHBondContact O-N 3.44Å
1055T89.7Confident91.1Very high79 Ų7963.8 Ų63.849%0.48536%0.363SS..PPolyproline II helixtrans-66.7125.7-176.2-51.90000110.3L1053 N1060 R1061L1053-T1055 PolarHBondContact O-N 2.95Å; T1055-N1060 WeakPolarHBondContact CA-O 3.4Å; T1055-R1061 HydrophobicContact CG2-CG 3.88Å; T1055-R1061 WeakPolarHBondContact OG1-CG 3.45Å
1056S87.7Confident91.2Very high49 Ų4963.9 Ų63.934%0.34336%0.363SS..PPolyproline II helixtrans-72.5165175.171.80000111.7V1054 T1058 G1059 N1060V1054-S1056 PolarHBondContact O-N 3.44Å; S1056-T1058 PolarHBondContact O-N 2.87Å; S1056-T1058 VanDerWaalsContact O-N 3.13Å; S1056-T1058 PolarHBondContact OG-N 3.21Å; S1056-T1058 PolarHBondContact OG-OG1 3.45Å; S1056-G1059 PolarHBondContact O-N 3.27Å; S1056-N1060 PolarHBondContact N-O 3.25Å; S1056-N1060 WeakPolarHBondContact OG-CB 3.19Å; S1056-N1060 PolarHBondContact OG-N 2.89Å
1057E86.5Confident91.2Very high210 Ų21066.3 Ų66.398%0.98137%0.372SS*.THydrogen-bonded Turntrans-56.6-27.7174.1-64.6176.9178.500113G1059E1057-G1059 VanDerWaalsContact C-N 3.31Å
1058T87.3Confident91.2Very high110 Ų11066 Ų6668%0.67537%0.371SS*.THydrogen-bonded Turntrans-87.99.217761.70000113.7S1056 N1060S1056-T1058 PolarHBondContact O-N 2.87Å; S1056-T1058 VanDerWaalsContact O-N 3.13Å; S1056-T1058 PolarHBondContact OG-N 3.21Å; S1056-T1058 PolarHBondContact OG-OG1 3.45Å; T1058-N1060 PolarHBondContact OG1-ND2 3.01Å
1059G90Very high91Very high35 Ų3563.8 Ų63.836%0.36136%0.356SS..  trans80.711.9177.300000115.8S1056 E1057 P1080S1056-G1059 PolarHBondContact O-N 3.27Å; E1057-G1059 VanDerWaalsContact C-N 3.31Å; G1059-P1080 WeakPolarHBondContact O-CA 3.44Å
1060N93.5Very high90.8Very high29 Ų2967.5 Ų67.516%0.15537%0.371CS..  trans-84.1134.1-178.6-63.7-50.5000111.8T1055 S1056 T1058 P1078 I1079 P1080T1055-N1060 WeakPolarHBondContact CA-O 3.4Å; S1056-N1060 PolarHBondContact N-O 3.25Å; S1056-N1060 WeakPolarHBondContact OG-CB 3.19Å; S1056-N1060 PolarHBondContact OG-N 2.89Å; T1058-N1060 PolarHBondContact OG1-ND2 3.01Å; N1060-P1078 HydrophobicContact CB-CB 3.9Å; N1060-I1079 WeakPolarHBondContact OD1-CA 3.44Å; N1060-P1080 WeakPolarHBondContact OD1-CD 3.4Å
1061R93.1Very high90.8Very high116 Ų11665.3 Ų65.344%0.43836%0.364SS..  trans-123.1-9.9-176.2-66.7-17761.9-172-1.3113.8P1052 L1053 T1055 I1079P1052-R1061 CarbonylContact C-O 3.56Å; P1052-R1061 WeakPolarHBondContact CA-O 3.32Å; L1053-R1061 PolarHBondContact N-O 3.46Å; T1055-R1061 HydrophobicContact CG2-CG 3.88Å; T1055-R1061 WeakPolarHBondContact OG1-CG 3.45Å; R1061-I1079 PolarHBondContact N-O 3.21Å
1062Y95.5Very high90.9Very high37 Ų3770 Ų7015%0.14537%0.374CS..EExtended strand (participates in β ladder)trans-138.6164.2-177.3-56.6-97.7000109.7I1049 L1050 P1052 I1079I1049-Y1062 HydrophobicContact CG2-CD1 4.01Å; I1049-Y1062 HydrophobicContact CG2-CG 4.33Å; L1050-Y1062 CarbonylContact O-C 3.56Å; L1050-Y1062 WeakPolarHBondContact O-CA 3.35Å; P1052-Y1062 HydrophobicContact CB-CE1 3.91Å; Y1062-I1079 PolarHBondContact N-O 2.59Å; Y1062-I1079 PolarHBondContact O-N 2.94Å
1063I95.1Very high91.3Very high50 Ų5070.3 Ų70.326%0.25637%0.367SS..EExtended strand (participates in β ladder)trans-125.5119.6175.2-61.8174.6000108.1I1049 L1050 L1053 V1065 A1076 F1077I1049-I1063 CarbonylContact C-O 3.53Å; I1049-I1063 WeakPolarHBondContact CA-O 3.2Å; L1050-I1063 HydrophobicContact CB-CB 4.33Å; L1050-I1063 HydrophobicContact CD2-CD1 4.47Å; L1050-I1063 PolarHBondContact N-O 3Å; L1050-I1063 PolarHBondContact O-N 3.24Å; L1053-I1063 HydrophobicContact CD1-CD1 3.42Å; L1053-I1063 VanDerWaalsContact CD1-CD1 3.42Å; L1053-I1063 HydrophobicContact CD1-CG1 3.79Å; I1063-V1065 HydrophobicContact CG2-CG2 4Å; I1063-A1076 HydrophobicContact CG2-CB 3.62Å; I1063-F1077 CarbonylContact C-O 3.52Å; I1063-F1077 WeakPolarHBondContact CA-O 3.26Å
1064L95.7Very high91.7Very high0 Ų069.4 Ų69.40%037%0.37CS..EExtended strand (participates in β ladder)trans-82112.6169.5-175.369.1000109.1I1047 I1049 V1066 A1076 F1077 I1079 V1087 V1090 L1091 F1113I1047-L1064 HydrophobicContact CG2-CD1 3.4Å; I1047-L1064 VanDerWaalsContact CG2-CD1 3.4Å; I1047-L1064 HydrophobicContact CG2-CG 4.08Å; I1049-L1064 HydrophobicContact CD1-CD1 4.13Å; I1049-L1064 HydrophobicContact CG1-CD1 3.65Å; L1064-V1066 HydrophobicContact CG-CG2 4.44Å; L1064-A1076 CarbonylContact O-C 3.43Å; L1064-A1076 WeakPolarHBondContact O-CA 3.37Å; L1064-F1077 HydrophobicContact CB-CB 4.34Å; L1064-F1077 PolarHBondContact N-O 3.01Å; L1064-F1077 PolarHBondContact O-N 2.92Å; L1064-I1079 HydrophobicContact CB-CD1 4.28Å; L1064-I1079 HydrophobicContact CB-CG2 4.21Å; L1064-V1087 HydrophobicContact CD1-CG1 3.99Å; L1064-V1087 HydrophobicContact CD2-CG1 4.38Å; L1064-V1090 HydrophobicContact CD2-CB 4.29Å; L1064-V1090 HydrophobicContact CD2-CG1 3.93Å; L1064-L1091 HydrophobicContact CD2-CB 4.45Å; L1064-F1113 HydrophobicContact CD1-CE1 4.12Å; L1064-F1113 HydrophobicContact CD1-CZ 4.45Å
1065V95.8Very high92.2Very high47 Ų4764.1 Ų64.129%0.28534%0.336SS..EExtended strand (participates in β ladder)trans-98.6124.9179-176.60000109.4I1047 D1048 I1063 E1075I1047-V1065 CarbonylContact C-O 3.49Å; I1047-V1065 VanDerWaalsContact CA-O 3.27Å; I1047-V1065 WeakPolarHBondContact CA-O 3.25Å; D1048-V1065 PolarHBondContact N-O 3.48Å; D1048-V1065 PolarHBondContact O-N 3.47Å; I1063-V1065 HydrophobicContact CG2-CG2 4Å; V1065-E1075 CarbonylContact C-O 3.48Å; V1065-E1075 WeakPolarHBondContact CA-O 3.1Å
1066V94.9Very high92.5Very high1 Ų163.4 Ų63.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-118.7123.8175.8-173.30000109.5I1045 A1046 I1047 L1064 A1074 E1075 F1077 L1091 F1095I1045-V1066 HydrophobicContact CB-CG1 4.11Å; I1045-V1066 HydrophobicContact CD1-CG1 3.72Å; I1045-V1066 HydrophobicContact CG1-CG1 4.44Å; I1045-V1066 HydrophobicContact CG2-CG1 4.48Å; A1046-V1066 CarbonylContact O-C 3.5Å; A1046-V1066 WeakPolarHBondContact O-CA 3.44Å; I1047-V1066 HydrophobicContact CG1-CG1 4.27Å; I1047-V1066 HydrophobicContact CG1-CG2 4.29Å; I1047-V1066 HydrophobicContact CG2-CG2 4.28Å; L1064-V1066 HydrophobicContact CG-CG2 4.44Å; V1066-A1074 CarbonylContact O-C 3.59Å; V1066-A1074 VanDerWaalsContact O-CA 3.28Å; V1066-A1074 WeakPolarHBondContact O-CA 3.37Å; V1066-E1075 PolarHBondContact N-O 3.1Å; V1066-E1075 PolarHBondContact O-N 2.89Å; V1066-F1077 HydrophobicContact CB-CE2 4.48Å; V1066-F1077 HydrophobicContact CG2-CD2 4.29Å; V1066-F1077 HydrophobicContact CG2-CE2 3.99Å; V1066-L1091 HydrophobicContact CG2-CD1 4.2Å; V1066-F1095 HydrophobicContact CB-CD2 3.88Å; V1066-F1095 HydrophobicContact CB-CE2 3.84Å; V1066-F1095 HydrophobicContact CB-CG 4.48Å; V1066-F1095 HydrophobicContact CB-CZ 4.41Å; V1066-F1095 HydrophobicContact CG1-CD1 4.1Å; V1066-F1095 HydrophobicContact CG1-CD2 3.68Å; V1066-F1095 HydrophobicContact CG1-CE1 3.82Å; V1066-F1095 HydrophobicContact CG1-CE2 3.36Å; V1066-F1095 HydrophobicContact CG1-CG 4.03Å; V1066-F1095 HydrophobicContact CG1-CZ 3.44Å; V1066-F1095 VanDerWaalsContact CG1-CZ 3.44Å; V1066-F1095 HydrophobicContact CG2-CD2 4.28Å
1067M94.2Very high92.9Very high67 Ų6761.9 Ų61.933%0.3333%0.326SS..EExtended strand (participates in β ladder)trans-128.7128.8-177177.6-177.956.100112.5I1045 A1046 F1073 A1074I1045-M1067 CarbonylContact C-O 3.53Å; I1045-M1067 VanDerWaalsContact CA-O 3.24Å; I1045-M1067 WeakPolarHBondContact CA-O 3.41Å; A1046-M1067 HydrophobicContact CB-CB 4.43Å; A1046-M1067 HydrophobicContact CB-CE 4.05Å; A1046-M1067 PolarHBondContact N-O 3.18Å; A1046-M1067 PolarHBondContact O-N 3.03Å; M1067-F1073 CarbonylContact C-O 3.5Å; M1067-F1073 VanDerWaalsContact CA-O 3.32Å; M1067-F1073 WeakPolarHBondContact CA-O 3.26Å; M1067-A1074 HydrophobicContact CB-CB 4.13Å; M1067-A1074 HydrophobicContact CG-CB 4.25Å
1068D93.8Very high93.3Very high0 Ų055.7 Ų55.70%030%0.304CS..EExtended strand (participates in β ladder)trans-75.1126171.8177.144.8000111.8W1042 F1070 S1071 K1072 F1073W1042-D1068 HydrophobicContact CE3-CB 3.8Å; W1042-D1068 HydrophobicContact CZ3-CB 3.68Å; W1042-D1068 PolarHBondContact N-OD1 2.77Å; D1068-F1070 VanDerWaalsContact C-N 3.29Å; D1068-F1070 PolarHBondContact O-N 2.83Å; D1068-S1071 VanDerWaalsContact OD2-CB 3.27Å; D1068-S1071 WeakPolarHBondContact OD2-CB 3.07Å; D1068-S1071 PolarHBondContact OD2-N 3.08Å; D1068-S1071 PolarHBondContact OD2-OG 2.84Å; D1068-K1072 VanDerWaalsContact O-CA 3.25Å; D1068-K1072 WeakPolarHBondContact O-CA 3.49Å; D1068-K1072 PolarHBondContact O-N 2.7Å; D1068-F1073 PolarHBondContact N-O 3.49Å
1069Y90.6Very high93.7Very high49 Ų4950.5 Ų50.519%0.19227%0.272CS..THydrogen-bonded Turntrans-66.4-29.5-179.5-92.2-95.2000113.5L1036 R1044 A1046 K1072 H1106L1036-Y1069 HydrophobicContact CB-CE1 4.37Å; R1044-Y1069 HydrophobicContact CB-CD2 4.29Å; R1044-Y1069 HydrophobicContact CG-CD2 3.73Å; R1044-Y1069 HydrophobicContact CG-CE2 4.16Å; R1044-Y1069 HydrophobicContact CG-CG 4.37Å; R1044-Y1069 WeakPolarHBondContact O-CB 3.35Å; R1044-Y1069 PolarHBondContact O-N 3.1Å; A1046-Y1069 HydrophobicContact CB-CD2 4.29Å; A1046-Y1069 HydrophobicContact CB-CE2 3.5Å; Y1069-K1072 WeakPolarHBondContact O-CE 3.48Å; Y1069-K1072 PolarHBondContact O-NZ 3.23Å; Y1069-H1106 HydrophobicContact CE2-CB 4.17Å; Y1069-H1106 AromaticContact CE2-ND1 3.85Å; Y1069-H1106 AromaticContact CZ-ND1 3.54Å; Y1069-H1106 PolarHBondContact OH-CE1 3.43Å; Y1069-H1106 PolarHBondContact OH-ND1 3.3Å
1070F90.8Very high93.8Very high100 Ų10051.6 Ų51.644%0.43927%0.273SS..THydrogen-bonded Turntrans-79.1-58.6-176177.6-96.9000112.1A1038 T1039 R1040 R1041 D1068A1038-F1070 HydrophobicContact CB-CB 3.92Å; A1038-F1070 WeakPolarHBondContact O-CD2 3.22Å; T1039-F1070 VanDerWaalsContact C-CD2 3.47Å; T1039-F1070 VanDerWaalsContact O-CE2 3.22Å; T1039-F1070 WeakPolarHBondContact O-CE2 3.36Å; R1040-F1070 VanDerWaalsContact C-CG 3.45Å; R1040-F1070 VanDerWaalsContact O-CB 3.3Å; R1040-F1070 WeakPolarHBondContact O-CB 2.86Å; R1041-F1070 HydrophobicContact CB-CD1 4.33Å; R1041-F1070 HydrophobicContact CG-CD1 3.59Å; R1041-F1070 HydrophobicContact CG-CE1 3.98Å; D1068-F1070 VanDerWaalsContact C-N 3.29Å; D1068-F1070 PolarHBondContact O-N 2.83Å
1071S90.6Very high93.8Very high51 Ų5152.2 Ų52.236%0.35728%0.276SS..THydrogen-bonded Turntrans-85.4-12.3-176.462.70000114.4D1068 F1073D1068-S1071 VanDerWaalsContact OD2-CB 3.27Å; D1068-S1071 WeakPolarHBondContact OD2-CB 3.07Å; D1068-S1071 PolarHBondContact OD2-N 3.08Å; D1068-S1071 PolarHBondContact OD2-OG 2.84Å; S1071-F1073 PolarHBondContact O-N 2.87Å; S1071-F1073 VanDerWaalsContact OG-CB 3.22Å; S1071-F1073 WeakPolarHBondContact OG-CB 3.36Å; S1071-F1073 PolarHBondContact OG-N 2.95Å
1072K90Very high93.8Very high135 Ų13551 Ų5159%0.58728%0.275SS*.  trans60.816.6-168.6-51-54.4-175.1-1640113.8D1068 Y1069D1068-K1072 VanDerWaalsContact O-CA 3.25Å; D1068-K1072 WeakPolarHBondContact O-CA 3.49Å; D1068-K1072 PolarHBondContact O-N 2.7Å; Y1069-K1072 WeakPolarHBondContact O-CE 3.48Å; Y1069-K1072 PolarHBondContact O-NZ 3.23Å
1073F92Very high93.6Very high94 Ų9454.6 Ų54.641%0.41229%0.293SS..  trans-69.3132.9174-176-93000110.2W1042 M1067 D1068 S1071 E1075W1042-F1073 AromaticContact CH2-CD1 3.56Å; W1042-F1073 HydrophobicContact CH2-CD1 3.56Å; W1042-F1073 HydrophobicContact CH2-CE1 4Å; W1042-F1073 HydrophobicContact CH2-CG 4.32Å; W1042-F1073 HydrophobicContact CZ3-CD1 4.17Å; M1067-F1073 CarbonylContact C-O 3.5Å; M1067-F1073 VanDerWaalsContact CA-O 3.32Å; M1067-F1073 WeakPolarHBondContact CA-O 3.26Å; D1068-F1073 PolarHBondContact N-O 3.49Å; S1071-F1073 PolarHBondContact O-N 2.87Å; S1071-F1073 VanDerWaalsContact OG-CB 3.22Å; S1071-F1073 WeakPolarHBondContact OG-CB 3.36Å; S1071-F1073 PolarHBondContact OG-N 2.95Å; F1073-E1075 HydrophobicContact CE1-CG 3.66Å; F1073-E1075 VanDerWaalsContact CE1-OE1 3.28Å; F1073-E1075 WeakPolarHBondContact CE1-OE1 3.46Å; F1073-E1075 HydrophobicContact CZ-CG 4.12Å
1074A93.6Very high93.5Very high58 Ų5854.8 Ų54.848%0.47930%0.297SS..EExtended strand (participates in β ladder)trans-129.8140.2-177.900000111.2V1066 M1067V1066-A1074 CarbonylContact O-C 3.59Å; V1066-A1074 VanDerWaalsContact O-CA 3.28Å; V1066-A1074 WeakPolarHBondContact O-CA 3.37Å; M1067-A1074 HydrophobicContact CB-CB 4.13Å; M1067-A1074 HydrophobicContact CG-CB 4.25Å
1075E95.4Very high93.4Very high29 Ų2963.1 Ų63.114%0.13633%0.333CS..EExtended strand (participates in β ladder)trans-124.9150.9170.1-77.7-168.8-144.200110.8V1065 V1066 F1073 F1077 R1098 Y1099V1065-E1075 CarbonylContact C-O 3.48Å; V1065-E1075 WeakPolarHBondContact CA-O 3.1Å; V1066-E1075 PolarHBondContact N-O 3.1Å; V1066-E1075 PolarHBondContact O-N 2.89Å; F1073-E1075 HydrophobicContact CE1-CG 3.66Å; F1073-E1075 VanDerWaalsContact CE1-OE1 3.28Å; F1073-E1075 WeakPolarHBondContact CE1-OE1 3.46Å; F1073-E1075 HydrophobicContact CZ-CG 4.12Å; E1075-F1077 HydrophobicContact CB-CE2 4.01Å; E1075-F1077 HydrophobicContact CB-CZ 3.92Å; E1075-F1077 WeakPolarHBondContact OE2-CZ 3.03Å; E1075-R1098 VanDerWaalsContact CD-NH2 3.35Å; E1075-R1098 IonicContact OE1-CZ 2.78Å; E1075-R1098 IonicContact OE1-NH1 3.93Å; E1075-R1098 IonicContact OE1-NH2 2.65Å; E1075-R1098 PolarHBondContact OE1-NH2 3.21Å; E1075-R1098 IonicContact OE2-CZ 3.96Å; E1075-R1098 VanDerWaalsContact OE2-CZ 3.29Å; E1075-R1098 IonicContact OE2-NH1 2.79Å; E1075-R1098 PolarHBondContact OE2-NH1 3.49Å; E1075-R1098 IonicContact OE2-NH2 3.09Å; E1075-R1098 PolarHBondContact OE2-NH2 2.94Å; E1075-Y1099 WeakPolarHBondContact OE1-CE2 3.35Å; E1075-Y1099 PolarHBondContact OE1-OH 3.46Å
1076A96.4Very high93.4Very high64 Ų6462 Ų6253%0.52933%0.327SS..EExtended strand (participates in β ladder)trans-131.8123-175.600000108.8I1063 L1064I1063-A1076 HydrophobicContact CG2-CB 3.62Å; L1064-A1076 CarbonylContact O-C 3.43Å; L1064-A1076 WeakPolarHBondContact O-CA 3.37Å
1077F95.4Very high93.3Very high17 Ų1762.1 Ų62.18%0.07533%0.327CS..EExtended strand (participates in β ladder)trans-113.6124.8-177.9-54.8-79.2000110.4I1063 L1064 V1066 E1075 V1090 E1094 F1095I1063-F1077 CarbonylContact C-O 3.52Å; I1063-F1077 WeakPolarHBondContact CA-O 3.26Å; L1064-F1077 HydrophobicContact CB-CB 4.34Å; L1064-F1077 PolarHBondContact N-O 3.01Å; L1064-F1077 PolarHBondContact O-N 2.92Å; V1066-F1077 HydrophobicContact CB-CE2 4.48Å; V1066-F1077 HydrophobicContact CG2-CD2 4.29Å; V1066-F1077 HydrophobicContact CG2-CE2 3.99Å; E1075-F1077 HydrophobicContact CB-CE2 4.01Å; E1075-F1077 HydrophobicContact CB-CZ 3.92Å; E1075-F1077 WeakPolarHBondContact OE2-CZ 3.03Å; F1077-V1090 HydrophobicContact CB-CG1 3.43Å; F1077-V1090 VanDerWaalsContact CB-CG1 3.43Å; F1077-V1090 HydrophobicContact CD1-CG1 4.36Å; F1077-V1090 HydrophobicContact CD2-CG1 4.2Å; F1077-V1090 HydrophobicContact CG-CG1 3.75Å; F1077-E1094 HydrophobicContact CD1-CB 3.61Å; F1077-E1094 HydrophobicContact CD1-CG 4.16Å; F1077-E1094 HydrophobicContact CE1-CB 3.4Å; F1077-E1094 VanDerWaalsContact CE1-CB 3.4Å; F1077-E1094 HydrophobicContact CE1-CG 4.37Å; F1077-E1094 HydrophobicContact CG-CB 4.35Å; F1077-E1094 HydrophobicContact CZ-CB 3.97Å; F1077-F1095 HydrophobicContact CE2-CB 4.13Å; F1077-F1095 HydrophobicContact CE2-CD2 4.02Å; F1077-F1095 HydrophobicContact CZ-CB 4.15Å; F1077-F1095 HydrophobicContact CZ-CD2 4.09Å
1078P95.7Very high93.3Very high81 Ų8162.2 Ų62.253%0.52633%0.332SS..EExtended strand (participates in β ladder)trans-72133.2175.531.6-34.5000110.2N1060N1060-P1078 HydrophobicContact CB-CB 3.9Å
1079I94.7Very high93.3Very high0 Ų064.3 Ų64.30%035%0.349CS..EExtended strand (participates in β ladder)trans-132.2146.3-179.669.6-178.4000111.8I1049 N1060 R1061 Y1062 L1064 N1081 T1086 V1087 V1090I1049-I1079 HydrophobicContact CD1-CD1 4.2Å; N1060-I1079 WeakPolarHBondContact OD1-CA 3.44Å; R1061-I1079 PolarHBondContact N-O 3.21Å; Y1062-I1079 PolarHBondContact N-O 2.59Å; Y1062-I1079 PolarHBondContact O-N 2.94Å; L1064-I1079 HydrophobicContact CB-CD1 4.28Å; L1064-I1079 HydrophobicContact CB-CG2 4.21Å; I1079-N1081 VanDerWaalsContact CD1-O 3.22Å; I1079-N1081 WeakPolarHBondContact CD1-O 3.29Å; I1079-N1081 WeakPolarHBondContact CG1-O 3.21Å; I1079-T1086 HydrophobicContact CB-CG2 4.02Å; I1079-T1086 HydrophobicContact CG2-CG2 4.48Å; I1079-V1087 HydrophobicContact CD1-CG2 4.17Å; I1079-V1090 HydrophobicContact CG2-CB 4.26Å; I1079-V1090 HydrophobicContact CG2-CG1 4.14Å; I1079-V1090 HydrophobicContact CG2-CG2 3.82Å
1080P93.9Very high93.5Very high58 Ų5863.2 Ų63.238%0.37735%0.347SS..SBendtrans-72.5-35-178.627.5-35.2000113.2G1059 N1060 T1086G1059-P1080 WeakPolarHBondContact O-CA 3.44Å; N1060-P1080 WeakPolarHBondContact OD1-CD 3.4Å; P1080-T1086 HydrophobicContact CG-CG2 4Å
1081N92.8Very high93.7Very high42 Ų4259.3 Ų59.323%0.22533%0.331CS..  trans-147.1167.6-178.564.442.8000109.8I1079 E1083 T1086I1079-N1081 VanDerWaalsContact CD1-O 3.22Å; I1079-N1081 WeakPolarHBondContact CD1-O 3.29Å; I1079-N1081 WeakPolarHBondContact CG1-O 3.21Å; N1081-E1083 VanDerWaalsContact C-N 3.33Å; N1081-E1083 HydrophobicContact CB-CG 4.23Å; N1081-E1083 PolarHBondContact ND2-OE1 2.82Å; N1081-E1083 PolarHBondContact ND2-OE2 3.37Å; N1081-E1083 VanDerWaalsContact OD1-CB 3.24Å; N1081-E1083 WeakPolarHBondContact OD1-CB 3.32Å; N1081-E1083 WeakPolarHBondContact OD1-CG 3.31Å; N1081-E1083 PolarHBondContact OD1-N 3.27Å; N1081-T1086 WeakPolarHBondContact OD1-CB 3.14Å; N1081-T1086 PolarHBondContact OD1-OG1 3.27Å
1082Q92.4Very high93.8Very high92 Ų9259.7 Ų59.743%0.4333%0.331SS..  trans-96.127175.364-178.615.700112.1I1049 Q1112I1049-Q1082 HydrophobicContact CD1-CB 4.08Å; Q1082-Q1112 HydrophobicContact CB-CB 4.46Å; Q1082-Q1112 WeakPolarHBondContact O-CB 3.4Å
1083E92.5Very high94Very high112 Ų11257.8 Ų57.852%0.52333%0.327SS..  trans-70.7143.2177.8-64.6171-174.800110.3N1081 K1085 T1086 V1087N1081-E1083 VanDerWaalsContact C-N 3.33Å; N1081-E1083 HydrophobicContact CB-CG 4.23Å; N1081-E1083 PolarHBondContact ND2-OE1 2.82Å; N1081-E1083 PolarHBondContact ND2-OE2 3.37Å; N1081-E1083 VanDerWaalsContact OD1-CB 3.24Å; N1081-E1083 WeakPolarHBondContact OD1-CB 3.32Å; N1081-E1083 WeakPolarHBondContact OD1-CG 3.31Å; N1081-E1083 PolarHBondContact OD1-N 3.27Å; E1083-K1085 PolarHBondContact O-N 3.49Å; E1083-K1085 VanDerWaalsContact O-N 3.09Å; E1083-T1086 WeakPolarHBondContact O-CB 3.25Å; E1083-T1086 PolarHBondContact O-N 2.85Å; E1083-V1087 PolarHBondContact O-N 2.92Å
1084T92.9Very high94Very high53 Ų5357.7 Ų57.733%0.32533%0.328SS..Hα-helixtrans-49.9-40.2178.1-53.30000112T1086 T1088 A1111 E1114T1084-T1086 PolarHBondContact O-N 3.19Å; T1084-T1088 WeakPolarHBondContact O-CB 2.97Å; T1084-T1088 PolarHBondContact O-N 3.27Å; T1084-T1088 PolarHBondContact O-OG1 3.03Å; T1084-A1111 PolarHBondContact OG1-O 3.01Å; T1084-A1111 VanDerWaalsContact OG1-O 3.13Å; T1084-E1114 WeakPolarHBondContact CG2-OXT 3.45Å; T1084-E1114 PolarHBondContact OG1-OXT 3.37Å; T1084-E1114 VanDerWaalsContact OG1-OXT 3.1Å
1085K93.7Very high94Very high176 Ų17655 Ų5577%0.76531%0.306SS*.Hα-helixtrans-60.9-45.2178.1-69.8-176.1179.61780112.3E1083 A1089E1083-K1085 PolarHBondContact O-N 3.49Å; E1083-K1085 VanDerWaalsContact O-N 3.09Å; K1085-A1089 VanDerWaalsContact O-CB 3.24Å; K1085-A1089 WeakPolarHBondContact O-CB 3.39Å; K1085-A1089 PolarHBondContact O-N 2.85Å
1086T94.2Very high93.8Very high24 Ų2455.3 Ų55.315%0.14731%0.307CS..Hα-helixtrans-69.4-48.3-179.6-55.40000111.2I1079 P1080 N1081 E1083 T1084 T1088 A1089 V1090I1079-T1086 HydrophobicContact CB-CG2 4.02Å; I1079-T1086 HydrophobicContact CG2-CG2 4.48Å; P1080-T1086 HydrophobicContact CG-CG2 4Å; N1081-T1086 WeakPolarHBondContact OD1-CB 3.14Å; N1081-T1086 PolarHBondContact OD1-OG1 3.27Å; E1083-T1086 WeakPolarHBondContact O-CB 3.25Å; E1083-T1086 PolarHBondContact O-N 2.85Å; T1084-T1086 PolarHBondContact O-N 3.19Å; T1086-T1088 VanDerWaalsContact C-N 3.32Å; T1086-T1088 PolarHBondContact O-N 3.33Å; T1086-A1089 PolarHBondContact O-N 3.11Å; T1086-V1090 WeakPolarHBondContact O-CG2 3.31Å; T1086-V1090 PolarHBondContact O-N 2.84Å
1087V94.6Very high93.6Very high3 Ų356.8 Ų56.82%0.01831%0.313CS..Hα-helixtrans-60.3-44.3178.1174.70000110.6I1049 L1064 I1079 E1083 L1091 Q1112 F1113I1049-V1087 HydrophobicContact CD1-CG2 3.73Å; L1064-V1087 HydrophobicContact CD1-CG1 3.99Å; L1064-V1087 HydrophobicContact CD2-CG1 4.38Å; I1079-V1087 HydrophobicContact CD1-CG2 4.17Å; E1083-V1087 PolarHBondContact O-N 2.92Å; V1087-L1091 WeakPolarHBondContact O-CB 3.43Å; V1087-L1091 PolarHBondContact O-N 2.87Å; V1087-Q1112 HydrophobicContact CG2-CB 4.28Å; V1087-F1113 HydrophobicContact CG1-CD1 3.86Å; V1087-F1113 HydrophobicContact CG1-CE1 3.73Å
1088T93.4Very high93.4Very high69 Ų6961.9 Ų61.942%0.42333%0.332SS..Hα-helixtrans-64.2-47.3177.2-58.50000111.5T1084 T1086 V1090 L1091 V1092T1084-T1088 WeakPolarHBondContact O-CB 2.97Å; T1084-T1088 PolarHBondContact O-N 3.27Å; T1084-T1088 PolarHBondContact O-OG1 3.03Å; T1086-T1088 VanDerWaalsContact C-N 3.32Å; T1086-T1088 PolarHBondContact O-N 3.33Å; T1088-V1090 VanDerWaalsContact C-N 3.35Å; T1088-V1090 PolarHBondContact O-N 3.19Å; T1088-L1091 PolarHBondContact O-N 3.43Å; T1088-V1092 HydrophobicContact CG2-CG2 4.08Å; T1088-V1092 VanDerWaalsContact O-CB 3.28Å; T1088-V1092 WeakPolarHBondContact O-CB 3.46Å; T1088-V1092 WeakPolarHBondContact O-CG2 3.41Å; T1088-V1092 PolarHBondContact O-N 2.8Å
1089A94.3Very high93.2Very high44 Ų4461.2 Ų61.236%0.36432%0.319SS..Hα-helixtrans-59.3-45.9179.900000111.5K1085 T1086 N1093K1085-A1089 VanDerWaalsContact O-CB 3.24Å; K1085-A1089 WeakPolarHBondContact O-CB 3.39Å; K1085-A1089 PolarHBondContact O-N 2.85Å; T1086-A1089 PolarHBondContact O-N 3.11Å; A1089-N1093 WeakPolarHBondContact O-CB 3.41Å; A1089-N1093 PolarHBondContact O-N 3.19Å; A1089-N1093 PolarHBondContact O-ND2 3.25Å; A1089-N1093 VanDerWaalsContact O-ND2 3.17Å
1090V94.8Very high92.9Very high25 Ų2562.9 Ų62.915%0.15234%0.336CS..Hα-helixtrans-69.2-45.8179.8174.60000111.1L1064 F1077 I1079 T1086 T1088 V1092 E1094L1064-V1090 HydrophobicContact CD2-CB 4.29Å; L1064-V1090 HydrophobicContact CD2-CG1 3.93Å; F1077-V1090 HydrophobicContact CB-CG1 3.43Å; F1077-V1090 VanDerWaalsContact CB-CG1 3.43Å; F1077-V1090 HydrophobicContact CD1-CG1 4.36Å; F1077-V1090 HydrophobicContact CD2-CG1 4.2Å; F1077-V1090 HydrophobicContact CG-CG1 3.75Å; I1079-V1090 HydrophobicContact CG2-CB 4.26Å; I1079-V1090 HydrophobicContact CG2-CG1 4.14Å; I1079-V1090 HydrophobicContact CG2-CG2 3.82Å; T1086-V1090 WeakPolarHBondContact O-CG2 3.31Å; T1086-V1090 PolarHBondContact O-N 2.84Å; T1088-V1090 VanDerWaalsContact C-N 3.35Å; T1088-V1090 PolarHBondContact O-N 3.19Å; V1090-V1092 VanDerWaalsContact C-N 3.33Å; V1090-V1092 PolarHBondContact O-N 3.38Å; V1090-E1094 HydrophobicContact CG1-CB 4.3Å; V1090-E1094 HydrophobicContact CG1-CG 4.11Å; V1090-E1094 WeakPolarHBondContact O-CA 3.31Å; V1090-E1094 WeakPolarHBondContact O-CB 3.3Å; V1090-E1094 PolarHBondContact O-N 2.84Å
1091L93.8Very high92.8Very high19 Ų1965.8 Ų65.810%0.09935%0.353CS..Iπ-helixtrans-60.4-43.1177.6-179.562000112I1045 I1047 L1064 V1066 V1087 T1088 F1095 I1096 I1105I1045-L1091 HydrophobicContact CD1-CD1 4.42Å; I1047-L1091 HydrophobicContact CD1-CD1 3.54Å; I1047-L1091 HydrophobicContact CD1-CD2 3.5Å; I1047-L1091 VanDerWaalsContact CD1-CD2 3.5Å; I1047-L1091 HydrophobicContact CD1-CG 4.16Å; L1064-L1091 HydrophobicContact CD2-CB 4.45Å; V1066-L1091 HydrophobicContact CG2-CD1 4.2Å; V1087-L1091 WeakPolarHBondContact O-CB 3.43Å; V1087-L1091 PolarHBondContact O-N 2.87Å; T1088-L1091 PolarHBondContact O-N 3.43Å; L1091-F1095 HydrophobicContact CD1-CB 4.17Å; L1091-F1095 HydrophobicContact CD1-CD1 4.41Å; L1091-F1095 HydrophobicContact CD1-CG 4.48Å; L1091-F1095 WeakPolarHBondContact O-CB 3.5Å; L1091-F1095 PolarHBondContact O-N 2.69Å; L1091-I1096 HydrophobicContact CG-CD1 4.08Å; L1091-I1096 HydrophobicContact CG-CG1 4.45Å; L1091-I1096 WeakPolarHBondContact O-CG1 3.33Å; L1091-I1096 PolarHBondContact O-N 2.9Å; L1091-I1105 HydrophobicContact CD2-CD1 4.2Å
1092V93.4Very high92.7Very high58 Ų5864.4 Ų64.435%0.35235%0.346SS..Iπ-helixtrans-69.5-53.2179.7172.80000110.8T1088 V1090 I1096 C1097T1088-V1092 HydrophobicContact CG2-CG2 4.08Å; T1088-V1092 VanDerWaalsContact O-CB 3.28Å; T1088-V1092 WeakPolarHBondContact O-CB 3.46Å; T1088-V1092 WeakPolarHBondContact O-CG2 3.41Å; T1088-V1092 PolarHBondContact O-N 2.8Å; V1090-V1092 VanDerWaalsContact C-N 3.33Å; V1090-V1092 PolarHBondContact O-N 3.38Å; V1092-I1096 HydrophobicContact CG2-CD1 4.28Å; V1092-I1096 PolarHBondContact O-N 3.16Å; V1092-C1097 PolarHBondContact O-N 3Å; V1092-C1097 PolarHBondContact O-SG 3.47Å
1093N94Very high92.7Very high95 Ų9565.3 Ų65.351%0.50835%0.35SS..Iπ-helixtrans-76.5-40.6-171.2-62.3-21.9000112.7A1089 C1097A1089-N1093 WeakPolarHBondContact O-CB 3.41Å; A1089-N1093 PolarHBondContact O-N 3.19Å; A1089-N1093 PolarHBondContact O-ND2 3.25Å; A1089-N1093 VanDerWaalsContact O-ND2 3.17Å; N1093-C1097 WeakPolarHBondContact O-CB 3.24Å
1094E93.1Very high92.6Very high93 Ų9361.2 Ų61.244%0.43534%0.335SS..Iπ-helixtrans-96.1-20.2-171.1-58.2-61.8148.300113.8F1077 V1090 R1098F1077-E1094 HydrophobicContact CD1-CB 3.61Å; F1077-E1094 HydrophobicContact CD1-CG 4.16Å; F1077-E1094 HydrophobicContact CE1-CB 3.4Å; F1077-E1094 VanDerWaalsContact CE1-CB 3.4Å; F1077-E1094 HydrophobicContact CE1-CG 4.37Å; F1077-E1094 HydrophobicContact CG-CB 4.35Å; F1077-E1094 HydrophobicContact CZ-CB 3.97Å; V1090-E1094 HydrophobicContact CG1-CB 4.3Å; V1090-E1094 HydrophobicContact CG1-CG 4.11Å; V1090-E1094 WeakPolarHBondContact O-CA 3.31Å; V1090-E1094 WeakPolarHBondContact O-CB 3.3Å; V1090-E1094 PolarHBondContact O-N 2.84Å; E1094-R1098 VanDerWaalsContact O-CD 3.3Å; E1094-R1098 WeakPolarHBondContact O-CD 3.37Å; E1094-R1098 PolarHBondContact O-NH1 3.26Å
1095F91.9Very high92.5Very high2 Ų262.6 Ų62.61%0.00934%0.34CS..Iπ-helixtrans-118.4-58.8-178.6-167-86.2000112.5W1042 I1045 V1066 F1077 L1091 C1097 R1098 Y1099W1042-F1095 AromaticContact CE3-CZ 3.97Å; W1042-F1095 HydrophobicContact CE3-CZ 3.97Å; W1042-F1095 HydrophobicContact CH2-CZ 4.49Å; W1042-F1095 HydrophobicContact CZ3-CE2 4.26Å; W1042-F1095 AromaticContact CZ3-CZ 3.65Å; W1042-F1095 HydrophobicContact CZ3-CZ 3.65Å; I1045-F1095 HydrophobicContact CD1-CD1 4.27Å; I1045-F1095 HydrophobicContact CD1-CE1 3.88Å; I1045-F1095 HydrophobicContact CG2-CE1 4.05Å; I1045-F1095 HydrophobicContact CG2-CZ 4.06Å; V1066-F1095 HydrophobicContact CB-CD2 3.88Å; V1066-F1095 HydrophobicContact CB-CE2 3.84Å; V1066-F1095 HydrophobicContact CB-CG 4.48Å; V1066-F1095 HydrophobicContact CB-CZ 4.41Å; V1066-F1095 HydrophobicContact CG1-CD1 4.1Å; V1066-F1095 HydrophobicContact CG1-CD2 3.68Å; V1066-F1095 HydrophobicContact CG1-CE1 3.82Å; V1066-F1095 HydrophobicContact CG1-CE2 3.36Å; V1066-F1095 HydrophobicContact CG1-CG 4.03Å; V1066-F1095 HydrophobicContact CG1-CZ 3.44Å; V1066-F1095 VanDerWaalsContact CG1-CZ 3.44Å; V1066-F1095 HydrophobicContact CG2-CD2 4.28Å; F1077-F1095 HydrophobicContact CE2-CB 4.13Å; F1077-F1095 HydrophobicContact CE2-CD2 4.02Å; F1077-F1095 HydrophobicContact CZ-CB 4.15Å; F1077-F1095 HydrophobicContact CZ-CD2 4.09Å; L1091-F1095 HydrophobicContact CD1-CB 4.17Å; L1091-F1095 HydrophobicContact CD1-CD1 4.41Å; L1091-F1095 HydrophobicContact CD1-CG 4.48Å; L1091-F1095 WeakPolarHBondContact O-CB 3.5Å; L1091-F1095 PolarHBondContact O-N 2.69Å; F1095-C1097 PolarHBondContact O-N 2.83Å; F1095-R1098 PolarHBondContact O-N 2.87Å; F1095-R1098 VanDerWaalsContact O-N 3.09Å; F1095-Y1099 HydrophobicContact CD1-CD2 4.36Å; F1095-Y1099 AromaticContact CD2-CD2 3.84Å; F1095-Y1099 HydrophobicContact CD2-CD2 3.84Å; F1095-Y1099 HydrophobicContact CD2-CE2 4.13Å; F1095-Y1099 HydrophobicContact CE1-CD2 4.29Å; F1095-Y1099 AromaticContact CE2-CD2 3.78Å; F1095-Y1099 HydrophobicContact CE2-CD2 3.78Å; F1095-Y1099 HydrophobicContact CE2-CE2 4.1Å; F1095-Y1099 HydrophobicContact CG-CD2 4.14Å; F1095-Y1099 HydrophobicContact CZ-CD2 4.01Å; F1095-Y1099 PolarHBondContact O-N 3.28Å
1096I92.4Very high92.3Very high34 Ų3457.9 Ų57.917%0.17432%0.321CS..Iπ-helixtrans-64.8-40-175.7-67172.6000111.4L1091 V1092 R1098 G1100 V1101L1091-I1096 HydrophobicContact CG-CD1 4.08Å; L1091-I1096 HydrophobicContact CG-CG1 4.45Å; L1091-I1096 WeakPolarHBondContact O-CG1 3.33Å; L1091-I1096 PolarHBondContact O-N 2.9Å; V1092-I1096 HydrophobicContact CG2-CD1 4.28Å; V1092-I1096 PolarHBondContact O-N 3.16Å; I1096-R1098 PolarHBondContact O-N 2.95Å; I1096-G1100 CarbonylContact O-C 3.58Å; I1096-G1100 VanDerWaalsContact O-CA 3.23Å; I1096-G1100 WeakPolarHBondContact O-CA 3.46Å; I1096-G1100 PolarHBondContact O-N 3.32Å; I1096-V1101 HydrophobicContact CG2-CB 4.49Å; I1096-V1101 HydrophobicContact CG2-CG2 3.65Å
1097C91.8Very high92.2Very high95 Ų9558.4 Ų58.464%0.64232%0.323SS*.Hα-helixtrans-65.1-25.2176-69.90000113.2V1092 N1093 F1095V1092-C1097 PolarHBondContact O-N 3Å; V1092-C1097 PolarHBondContact O-SG 3.47Å; N1093-C1097 WeakPolarHBondContact O-CB 3.24Å; F1095-C1097 PolarHBondContact O-N 2.83Å
1098R91.7Very high91.9Very high125 Ų12563 Ų6347%0.47235%0.348SS..Hα-helixtrans-89.1-40.1180-79.4172.849.6-143.53.8113.3E1075 E1094 F1095 I1096E1075-R1098 VanDerWaalsContact CD-NH2 3.35Å; E1075-R1098 IonicContact OE1-CZ 2.78Å; E1075-R1098 IonicContact OE1-NH1 3.93Å; E1075-R1098 IonicContact OE1-NH2 2.65Å; E1075-R1098 PolarHBondContact OE1-NH2 3.21Å; E1075-R1098 IonicContact OE2-CZ 3.96Å; E1075-R1098 VanDerWaalsContact OE2-CZ 3.29Å; E1075-R1098 IonicContact OE2-NH1 2.79Å; E1075-R1098 PolarHBondContact OE2-NH1 3.49Å; E1075-R1098 IonicContact OE2-NH2 3.09Å; E1075-R1098 PolarHBondContact OE2-NH2 2.94Å; E1094-R1098 VanDerWaalsContact O-CD 3.3Å; E1094-R1098 WeakPolarHBondContact O-CD 3.37Å; E1094-R1098 PolarHBondContact O-NH1 3.26Å; F1095-R1098 PolarHBondContact O-N 2.87Å; F1095-R1098 VanDerWaalsContact O-N 3.09Å; I1096-R1098 PolarHBondContact O-N 2.95Å
1099Y90.1Very high91.3Very high66 Ų6667.2 Ų67.226%0.25936%0.363SS..Hα-helixtrans-112.7-9.2-170.5-60.9-60.1000114.9W1042 E1075 F1095W1042-Y1099 AromaticContact CE2-CD1 3.99Å; W1042-Y1099 HydrophobicContact CH2-CD1 4.09Å; W1042-Y1099 HydrophobicContact CH2-CD2 4.38Å; W1042-Y1099 HydrophobicContact CH2-CE1 4.3Å; W1042-Y1099 HydrophobicContact CH2-CG 4.13Å; W1042-Y1099 AromaticContact CZ2-CD1 3.55Å; W1042-Y1099 HydrophobicContact CZ2-CD1 3.55Å; W1042-Y1099 AromaticContact CZ2-CE1 3.94Å; W1042-Y1099 HydrophobicContact CZ2-CE1 3.94Å; W1042-Y1099 AromaticContact CZ2-CG 3.91Å; W1042-Y1099 HydrophobicContact CZ2-CG 3.91Å; E1075-Y1099 WeakPolarHBondContact OE1-CE2 3.35Å; E1075-Y1099 PolarHBondContact OE1-OH 3.46Å; F1095-Y1099 HydrophobicContact CD1-CD2 4.36Å; F1095-Y1099 AromaticContact CD2-CD2 3.84Å; F1095-Y1099 HydrophobicContact CD2-CD2 3.84Å; F1095-Y1099 HydrophobicContact CD2-CE2 4.13Å; F1095-Y1099 HydrophobicContact CE1-CD2 4.29Å; F1095-Y1099 AromaticContact CE2-CD2 3.78Å; F1095-Y1099 HydrophobicContact CE2-CD2 3.78Å; F1095-Y1099 HydrophobicContact CE2-CE2 4.1Å; F1095-Y1099 HydrophobicContact CG-CD2 4.14Å; F1095-Y1099 HydrophobicContact CZ-CD2 4.01Å; F1095-Y1099 PolarHBondContact O-N 3.28Å
1100G89.7Confident90.9Very high35 Ų3565.8 Ų65.836%0.36135%0.353SS..  trans87.7174.4-171.800000112.7I1096I1096-G1100 CarbonylContact O-C 3.58Å; I1096-G1100 VanDerWaalsContact O-CA 3.23Å; I1096-G1100 WeakPolarHBondContact O-CA 3.46Å; I1096-G1100 PolarHBondContact O-N 3.32Å
1101V92.2Very high90.4Very high120 Ų12068 Ų6873%0.72737%0.374SS*.  trans-79.9122.5-178-177.20000109.5I1096I1096-V1101 HydrophobicContact CG2-CB 4.49Å; I1096-V1101 HydrophobicContact CG2-CG2 3.65Å
1102P90.2Very high90.1Very high12 Ų1268.5 Ų68.58%0.07838%0.376CS..  trans-71.7152.2174.332.4-37.1000111W1042 I1045 A1104 I1105W1042-P1102 VanDerWaalsContact O-CA 3.23Å; W1042-P1102 WeakPolarHBondContact O-CA 3.23Å; W1042-P1102 VanDerWaalsContact O-CB 3.25Å; W1042-P1102 WeakPolarHBondContact O-CB 3.14Å; I1045-P1102 HydrophobicContact CD1-CB 4.34Å; I1045-P1102 HydrophobicContact CD1-CG 3.68Å; I1045-P1102 HydrophobicContact CG1-CB 4.09Å; I1045-P1102 HydrophobicContact CG1-CG 3.84Å; I1045-P1102 HydrophobicContact CG2-CB 4.2Å; P1102-A1104 VanDerWaalsContact C-N 3.3Å; P1102-A1104 PolarHBondContact O-N 3.3Å; P1102-I1105 HydrophobicContact CG-CD1 4.24Å; P1102-I1105 HydrophobicContact CG-CG1 3.77Å
1103E91Very high89.7Confident112 Ų11268 Ų6852%0.52337%0.369SS..SBendtrans-71-28.7177.1-67.9161.3-123.900112.5R1040 Q1043R1040-E1103 IonicContact CZ-OE1 2.82Å; R1040-E1103 IonicContact NE-OE1 3.89Å; R1040-E1103 PolarHBondContact NE-OE1 3.33Å; R1040-E1103 IonicContact NH2-OE1 3.83Å; R1040-E1103 PolarHBondContact NH2-OE1 3.5Å; R1040-E1103 IonicContact NH2-OE2 3.92Å; R1040-E1103 PolarHBondContact NH2-OE2 3.47Å; Q1043-E1103 HydrophobicContact CG-CB 4.47Å; Q1043-E1103 WeakPolarHBondContact O-CB 3.43Å; Q1043-E1103 PolarHBondContact O-N 3.04Å
1104A90.7Very high88.9Confident25 Ų2571.9 Ų71.921%0.20738%0.384CS..EExtended strand (participates in β ladder)trans-142.5137.2177.200000112Q1043 R1044 I1045 P1102Q1043-A1104 PolarHBondContact O-N 3.33Å; R1044-A1104 VanDerWaalsContact CA-O 3.27Å; R1044-A1104 WeakPolarHBondContact CA-O 3.28Å; R1044-A1104 HydrophobicContact CB-CB 4.21Å; R1044-A1104 HydrophobicContact CG-CB 4.03Å; I1045-A1104 PolarHBondContact N-O 3.22Å; P1102-A1104 VanDerWaalsContact C-N 3.3Å; P1102-A1104 PolarHBondContact O-N 3.3Å
1105I91.5Very high88.7Confident83 Ų8370.8 Ų70.843%0.42638%0.381SS..EExtended strand (participates in β ladder)trans-109.6129.6169.8-59.3179.8000107.3I1045 I1047 L1091 P1102 T1107I1045-I1105 HydrophobicContact CD1-CG1 4.08Å; I1045-I1105 HydrophobicContact CG1-CB 4.43Å; I1045-I1105 HydrophobicContact CG1-CG1 3.99Å; I1045-I1105 HydrophobicContact CG1-CG2 4.42Å; I1047-I1105 HydrophobicContact CD1-CD1 4.46Å; I1047-I1105 HydrophobicContact CD1-CG2 3.36Å; I1047-I1105 HydrophobicContact CG1-CG2 3.82Å; L1091-I1105 HydrophobicContact CD2-CD1 4.2Å; P1102-I1105 HydrophobicContact CG-CD1 4.24Å; P1102-I1105 HydrophobicContact CG-CG1 3.77Å; I1105-T1107 HydrophobicContact CG2-CG2 3.73Å
1106H90.3Very high88.5Confident77 Ų7774.4 Ų74.436%0.35640%0.401SS..EExtended strand (participates in β ladder)trans-112.8119176.6-176.2-156.4000109.3I1045 A1046 I1047 Y1069I1045-H1106 PolarHBondContact O-N 3.13Å; A1046-H1106 CarbonylContact C-O 3.58Å; A1046-H1106 VanDerWaalsContact CA-O 3.28Å; A1046-H1106 WeakPolarHBondContact CA-O 3.08Å; I1047-H1106 PolarHBondContact N-O 2.46Å; Y1069-H1106 HydrophobicContact CE2-CB 4.17Å; Y1069-H1106 AromaticContact CE2-ND1 3.85Å; Y1069-H1106 AromaticContact CZ-ND1 3.54Å; Y1069-H1106 PolarHBondContact OH-CE1 3.43Å; Y1069-H1106 PolarHBondContact OH-ND1 3.3Å
1107T91.4Very high88.3Confident34 Ų3476.7 Ų76.721%0.20941%0.413CS..  trans-132.1172.8179.271.60000109.8I1047 I1105 Q1109 F1113I1047-T1107 HydrophobicContact CB-CG2 4.03Å; I1105-T1107 HydrophobicContact CG2-CG2 3.73Å; T1107-Q1109 PolarHBondContact O-N 2.96Å; T1107-Q1109 PolarHBondContact OG1-N 3.06Å; T1107-F1113 HydrophobicContact CG2-CB 4.22Å; T1107-F1113 HydrophobicContact CG2-CD1 3.94Å; T1107-F1113 HydrophobicContact CG2-CD2 4.03Å; T1107-F1113 HydrophobicContact CG2-CE1 4.25Å; T1107-F1113 HydrophobicContact CG2-CE2 4.33Å; T1107-F1113 HydrophobicContact CG2-CG 3.81Å; T1107-F1113 HydrophobicContact CG2-CZ 4.42Å
1108D87.3Confident88.1Confident101 Ų10175.6 Ų75.654%0.5440%0.4SS..  trans-76.54.2173.268.7-15.6000114.2G1110 F1113D1108-G1110 PolarHBondContact O-N 2.74Å; D1108-G1110 PolarHBondContact OD1-N 3.41Å; D1108-F1113 WeakPolarHBondContact OD1-CD2 3.32Å; D1108-F1113 VanDerWaalsContact OD1-CE2 3.26Å; D1108-F1113 WeakPolarHBondContact OD1-CE2 3.32Å
1109Q82.1Confident87.9Confident156 Ų15672.5 Ų72.573%0.72940%0.396SS*.  trans59.226.8-172.8-55.2-168.4-22.400114.4T1107T1107-Q1109 PolarHBondContact O-N 2.96Å; T1107-Q1109 PolarHBondContact OG1-N 3.06Å
1110G85.3Confident87.7Confident15 Ų1572.9 Ų72.916%0.15541%0.405CS..  trans-63.2151.8168.900000112.3D1108 Q1112 F1113D1108-G1110 PolarHBondContact O-N 2.74Å; D1108-G1110 PolarHBondContact OD1-N 3.41Å; G1110-Q1112 PolarHBondContact O-N 3.27Å; G1110-F1113 PolarHBondContact O-N 3.18Å
1111A84.3Confident87.6Confident72 Ų7275.6 Ų75.660%0.59541%0.408SS*.G310 helixtrans-56.2-21.8-177.200000114.2T1084 F1113 E1114T1084-A1111 PolarHBondContact OG1-O 3.01Å; T1084-A1111 VanDerWaalsContact OG1-O 3.13Å; A1111-F1113 PolarHBondContact O-N 2.93Å; A1111-E1114 PolarHBondContact O-N 3.3Å
1112Q87.2Confident87.2Confident28 Ų2872.2 Ų72.213%0.13138%0.383CS..G310 helixtrans-67.4-17.7173.366.2-86.512.700114.5I1049 Q1082 V1087 G1110I1049-Q1112 HydrophobicContact CD1-CB 4.43Å; I1049-Q1112 HydrophobicContact CD1-CG 3.8Å; Q1082-Q1112 HydrophobicContact CB-CB 4.46Å; Q1082-Q1112 WeakPolarHBondContact O-CB 3.4Å; V1087-Q1112 HydrophobicContact CG2-CB 4.28Å; G1110-Q1112 PolarHBondContact O-N 3.27Å
1113F85.3Confident87Confident47 Ų4777.3 Ų77.321%0.20641%0.409CS..G310 helixtrans-109.2-2.8179.8-58.3-61.5000112.8I1047 I1049 L1064 V1087 T1107 D1108 G1110 A1111I1047-F1113 HydrophobicContact CB-CE1 4.17Å; I1047-F1113 HydrophobicContact CB-CZ 4.39Å; I1047-F1113 HydrophobicContact CG2-CE1 3.53Å; I1047-F1113 HydrophobicContact CG2-CZ 3.86Å; I1049-F1113 HydrophobicContact CD1-CZ 4.15Å; I1049-F1113 HydrophobicContact CG1-CZ 3.94Å; L1064-F1113 HydrophobicContact CD1-CE1 4.12Å; L1064-F1113 HydrophobicContact CD1-CZ 4.45Å; V1087-F1113 HydrophobicContact CG1-CD1 3.86Å; V1087-F1113 HydrophobicContact CG1-CE1 3.73Å; T1107-F1113 HydrophobicContact CG2-CB 4.22Å; T1107-F1113 HydrophobicContact CG2-CD1 3.94Å; T1107-F1113 HydrophobicContact CG2-CD2 4.03Å; T1107-F1113 HydrophobicContact CG2-CE1 4.25Å; T1107-F1113 HydrophobicContact CG2-CE2 4.33Å; T1107-F1113 HydrophobicContact CG2-CG 3.81Å; T1107-F1113 HydrophobicContact CG2-CZ 4.42Å; D1108-F1113 WeakPolarHBondContact OD1-CD2 3.32Å; D1108-F1113 VanDerWaalsContact OD1-CE2 3.26Å; D1108-F1113 WeakPolarHBondContact OD1-CE2 3.32Å; G1110-F1113 PolarHBondContact O-N 3.18Å; A1111-F1113 PolarHBondContact O-N 2.93Å
1114E77.5Confident86.6Confident177 Ų17774.1 Ų74.183%0.82740%0.398SS*.  trans-93.80168.9-62.2-166.4153.700110.1T1084 A1111T1084-E1114 WeakPolarHBondContact CG2-OXT 3.45Å; T1084-E1114 PolarHBondContact OG1-OXT 3.37Å; T1084-E1114 VanDerWaalsContact OG1-OXT 3.1Å; A1111-E1114 PolarHBondContact O-N 3.3Å

Retrieved 1,114 of 1,114 residues in 1017.7 ms (Link to these results)

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