A0A077Z3Y3_TRITR Loading...

FCD and GntR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 229 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
1M45.6Very low86.2Confident241 Ų24188.6 Ų88.6100%1.18744%0.443SS*.  0135.60-73179175.400108.7L3M1-L3 PolarHBondContact O-N 3.12Å
2T63.3Low87.1Confident148 Ų14886.3 Ų86.391%0.90844%0.437SS*.  trans-68.4112.5171.931.30000109.5N4T2-N4 PolarHBondContact O-N 2.95Å
3L78.1Confident87.9Confident98 Ų9879.7 Ų79.751%0.51340%0.404SS..  trans-53136.7172.9-80.6139.4000110.3M1 D7 R8 I11M1-L3 PolarHBondContact O-N 3.12Å; L3-D7 HydrophobicContact CB-CB 4.43Å; L3-D7 HydrophobicContact CD2-CB 3.49Å; L3-D7 VanDerWaalsContact CD2-CB 3.49Å; L3-R8 HydrophobicContact CB-CG 3.81Å; L3-I11 HydrophobicContact CD1-CD1 4.21Å; L3-I11 HydrophobicContact CD2-CD1 3.96Å
4N90.9Very high88.5Confident84 Ų8474 Ų7445%0.44938%0.375SS..  trans-68.4167.6175.276.547.1000110T2 T6 D7 R8T2-N4 PolarHBondContact O-N 2.95Å; N4-T6 VanDerWaalsContact C-N 3.34Å; N4-T6 PolarHBondContact O-N 2.72Å; N4-T6 WeakPolarHBondContact OD1-CA 3.33Å; N4-T6 WeakPolarHBondContact OD1-CB 3.4Å; N4-T6 PolarHBondContact OD1-N 2.85Å; N4-D7 VanDerWaalsContact CG-CG 3.46Å; N4-D7 VanDerWaalsContact ND2-CG 3.29Å; N4-D7 PolarHBondContact ND2-OD1 3.27Å; N4-D7 PolarHBondContact ND2-OD2 3.41Å; N4-D7 PolarHBondContact O-N 3.42Å; N4-D7 VanDerWaalsContact OD1-CG 3.28Å; N4-D7 PolarHBondContact OD1-N 3.18Å; N4-D7 PolarHBondContact OD1-OD1 3.36Å; N4-D7 PolarHBondContact OD1-OD2 2.96Å; N4-R8 WeakPolarHBondContact O-CG 3.31Å; N4-R8 PolarHBondContact O-N 2.65Å
5K92.3Very high89Confident93 Ų9372.8 Ų72.840%0.40437%0.366SS..Hα-helixtrans-63.3-38.3-176.4-172.4170.6-178.1175.60112.8I9 F38 A39 T40 I44K5-I9 HydrophobicContact CG-CD1 4.08Å; K5-I9 VanDerWaalsContact O-CG1 3.32Å; K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.48Å; K5-F38 WeakPolarHBondContact CE-O 3.4Å; K5-F38 PolarHBondContact NZ-O 3.42Å; K5-A39 PolarHBondContact NZ-O 3.25Å; K5-T40 WeakPolarHBondContact CE-OG1 3.42Å; K5-I44 HydrophobicContact CD-CD1 4.33Å
6T95.1Very high89.4Confident22 Ų2270.6 Ų70.614%0.13536%0.355CS..Hα-helixtrans-61.1-49.9178-57.80000110.4N4 R8 I9 V10 E47 V48N4-T6 VanDerWaalsContact C-N 3.34Å; N4-T6 PolarHBondContact O-N 2.72Å; N4-T6 WeakPolarHBondContact OD1-CA 3.33Å; N4-T6 WeakPolarHBondContact OD1-CB 3.4Å; N4-T6 PolarHBondContact OD1-N 2.85Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.92Å; T6-I9 PolarHBondContact O-N 3.26Å; T6-I9 VanDerWaalsContact O-N 3.12Å; T6-V10 HydrophobicContact CG2-CG2 4.49Å; T6-V10 WeakPolarHBondContact O-CG2 3.37Å; T6-V10 PolarHBondContact O-N 2.81Å; T6-E47 HydrophobicContact CG2-CB 3.82Å; T6-E47 PolarHBondContact OG1-OE2 3.45Å; T6-V48 HydrophobicContact CG2-CG2 4.05Å
7D95.4Very high89.9Confident63 Ų6366.5 Ų66.534%0.33733%0.334SS..Hα-helixtrans-61.2-42.4-178.5-55.1-22.6000111.6L3 N4 I9 V10 I11L3-D7 HydrophobicContact CB-CB 4.43Å; L3-D7 HydrophobicContact CD2-CB 3.49Å; L3-D7 VanDerWaalsContact CD2-CB 3.49Å; N4-D7 VanDerWaalsContact CG-CG 3.46Å; N4-D7 VanDerWaalsContact ND2-CG 3.29Å; N4-D7 PolarHBondContact ND2-OD1 3.27Å; N4-D7 PolarHBondContact ND2-OD2 3.41Å; N4-D7 PolarHBondContact O-N 3.42Å; N4-D7 VanDerWaalsContact OD1-CG 3.28Å; N4-D7 PolarHBondContact OD1-N 3.18Å; N4-D7 PolarHBondContact OD1-OD1 3.36Å; N4-D7 PolarHBondContact OD1-OD2 2.96Å; D7-I9 VanDerWaalsContact C-N 3.29Å; D7-I9 PolarHBondContact O-N 2.9Å; D7-V10 PolarHBondContact O-N 3.47Å; D7-I11 WeakPolarHBondContact O-CG1 3.44Å; D7-I11 PolarHBondContact O-N 3.15Å
8R95.9Very high90.1Very high163 Ų16363.1 Ų63.162%0.61532%0.317SS*.Hα-helixtrans-59.2-40.3176.4-72.1176.760.2-170.8-2.4112.4L3 N4 T6 T12L3-R8 HydrophobicContact CB-CG 3.81Å; N4-R8 WeakPolarHBondContact O-CG 3.31Å; N4-R8 PolarHBondContact O-N 2.65Å; T6-R8 VanDerWaalsContact C-N 3.34Å; T6-R8 PolarHBondContact O-N 2.92Å; R8-T12 WeakPolarHBondContact O-CB 3.28Å; R8-T12 PolarHBondContact O-N 2.91Å; R8-T12 PolarHBondContact O-OG1 2.77Å
9I97.5Very high90.2Very high7 Ų763.2 Ų63.24%0.03632%0.316CS..Hα-helixtrans-73.4-39178.5-61167.4000110.2K5 T6 D7 I11 T12 L13 F38 T40 I44 V48K5-I9 HydrophobicContact CG-CD1 4.08Å; K5-I9 VanDerWaalsContact O-CG1 3.32Å; K5-I9 WeakPolarHBondContact O-CG1 3.44Å; K5-I9 PolarHBondContact O-N 3.48Å; T6-I9 PolarHBondContact O-N 3.26Å; T6-I9 VanDerWaalsContact O-N 3.12Å; D7-I9 VanDerWaalsContact C-N 3.29Å; D7-I9 PolarHBondContact O-N 2.9Å; I9-I11 VanDerWaalsContact C-N 3.35Å; I9-I11 PolarHBondContact O-N 3.23Å; I9-T12 PolarHBondContact O-N 2.94Å; I9-L13 VanDerWaalsContact O-CB 3.29Å; I9-L13 WeakPolarHBondContact O-CB 3.31Å; I9-L13 PolarHBondContact O-N 3.43Å; I9-F38 HydrophobicContact CD1-CB 3.81Å; I9-F38 HydrophobicContact CD1-CD1 4.46Å; I9-F38 HydrophobicContact CD1-CG 4.14Å; I9-F38 HydrophobicContact CG1-CB 4.2Å; I9-F38 HydrophobicContact CG1-CD1 3.9Å; I9-F38 HydrophobicContact CG1-CE1 4.49Å; I9-F38 HydrophobicContact CG1-CG 4.04Å; I9-F38 HydrophobicContact CG2-CD1 4.14Å; I9-F38 HydrophobicContact CG2-CD2 3.89Å; I9-F38 HydrophobicContact CG2-CE1 4.19Å; I9-F38 HydrophobicContact CG2-CE2 3.94Å; I9-F38 HydrophobicContact CG2-CG 3.99Å; I9-F38 HydrophobicContact CG2-CZ 4.09Å; I9-T40 HydrophobicContact CD1-CG2 4.07Å; I9-I44 HydrophobicContact CD1-CG2 3.84Å; I9-V48 HydrophobicContact CB-CG2 3.75Å; I9-V48 HydrophobicContact CG2-CB 4.4Å; I9-V48 HydrophobicContact CG2-CG1 3.94Å; I9-V48 HydrophobicContact CG2-CG2 3.66Å
10V97.8Very high90.3Very high7 Ų761.6 Ų61.64%0.04232%0.316CS..Hα-helixtrans-56.7-48.9173.31700000110.8T6 D7 G14 V48 L52 W84T6-V10 HydrophobicContact CG2-CG2 4.49Å; T6-V10 WeakPolarHBondContact O-CG2 3.37Å; T6-V10 PolarHBondContact O-N 2.81Å; D7-V10 PolarHBondContact O-N 3.47Å; V10-G14 WeakPolarHBondContact O-CA 3.36Å; V10-G14 PolarHBondContact O-N 3.38Å; V10-V48 HydrophobicContact CG2-CB 4.17Å; V10-V48 HydrophobicContact CG2-CG1 4.05Å; V10-V48 HydrophobicContact CG2-CG2 4.07Å; V10-L52 HydrophobicContact CG1-CD2 4.28Å; V10-W84 HydrophobicContact CG1-CH2 4.02Å
11I96.6Very high90.5Very high49 Ų4963.9 Ų63.925%0.25132%0.324SS..Hα-helixtrans-60.5-48.5177.2-66.1164.3000110.6L3 D7 I9 K15 W84L3-I11 HydrophobicContact CD1-CD1 4.21Å; L3-I11 HydrophobicContact CD2-CD1 3.96Å; D7-I11 WeakPolarHBondContact O-CG1 3.44Å; D7-I11 PolarHBondContact O-N 3.15Å; I9-I11 VanDerWaalsContact C-N 3.35Å; I9-I11 PolarHBondContact O-N 3.23Å; I11-K15 HydrophobicContact CG2-CD 4.21Å; I11-K15 WeakPolarHBondContact O-CB 3.5Å; I11-K15 VanDerWaalsContact O-CG 3.32Å; I11-K15 WeakPolarHBondContact O-CG 3.3Å; I11-K15 PolarHBondContact O-N 2.86Å; I11-W84 HydrophobicContact CB-CZ2 4.27Å; I11-W84 HydrophobicContact CG1-CZ2 4.06Å
12T96.7Very high92.9Very high60 Ų6053.6 Ų53.637%0.36827%0.272SS..Hα-helixtrans-63.5-50.1-176.8-56.10000111.7R8 I9 Q16 F38R8-T12 WeakPolarHBondContact O-CB 3.28Å; R8-T12 PolarHBondContact O-N 2.91Å; R8-T12 PolarHBondContact O-OG1 2.77Å; I9-T12 PolarHBondContact O-N 2.94Å; T12-Q16 VanDerWaalsContact O-CG 3.29Å; T12-Q16 WeakPolarHBondContact O-CG 3.36Å; T12-Q16 PolarHBondContact O-N 2.99Å; T12-F38 HydrophobicContact CG2-CE1 3.95Å; T12-F38 HydrophobicContact CG2-CZ 4.24Å
13L97.2Very high94.4Very high1 Ų150.7 Ų50.71%0.00525%0.254CS..Hα-helixtrans-72.2-36.3-177.7-172.855.8000111.6I9 Q16 I17 Y22 L28 L34 V48 F49 L52I9-L13 VanDerWaalsContact O-CB 3.29Å; I9-L13 WeakPolarHBondContact O-CB 3.31Å; I9-L13 PolarHBondContact O-N 3.43Å; L13-Q16 PolarHBondContact O-N 3.22Å; L13-I17 HydrophobicContact CG-CD1 4.31Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 3.4Å; L13-Y22 HydrophobicContact CD1-CD2 4.33Å; L13-Y22 HydrophobicContact CD1-CE2 3.6Å; L13-L28 HydrophobicContact CD2-CD1 4.42Å; L13-L34 HydrophobicContact CD2-CD1 4.29Å; L13-V48 HydrophobicContact CD2-CG1 4.07Å; L13-F49 HydrophobicContact CD2-CE1 4.16Å; L13-L52 HydrophobicContact CB-CD1 4.15Å; L13-L52 HydrophobicContact CD2-CD1 3.59Å; L13-L52 HydrophobicContact CG-CD1 3.75Å
14G97Very high95.2Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-59.3-49.9172.900000112.2V10 Q16 I17 V18 W84V10-G14 WeakPolarHBondContact O-CA 3.36Å; V10-G14 PolarHBondContact O-N 3.38Å; G14-Q16 PolarHBondContact O-N 3.38Å; G14-I17 PolarHBondContact O-N 3.43Å; G14-V18 WeakPolarHBondContact O-CG2 3.46Å; G14-V18 PolarHBondContact O-N 3.06Å; G14-W84 VanDerWaalsContact CA-CZ3 3.49Å
15K95.9Very high95.4Very high56 Ų5647 Ų4724%0.24325%0.248CC..Hα-helixtrans-58.5-47.3172.7-73-175.2-177.5-154.80111.6I11 I17 V18 H19 W84 E87I11-K15 HydrophobicContact CG2-CD 4.21Å; I11-K15 WeakPolarHBondContact O-CB 3.5Å; I11-K15 VanDerWaalsContact O-CG 3.32Å; I11-K15 WeakPolarHBondContact O-CG 3.3Å; I11-K15 PolarHBondContact O-N 2.86Å; K15-I17 VanDerWaalsContact C-N 3.28Å; K15-I17 PolarHBondContact O-N 3.5Å; K15-V18 PolarHBondContact O-N 3.5Å; K15-H19 WeakPolarHBondContact O-CB 3.49Å; K15-H19 PolarHBondContact O-CD2 3.25Å; K15-H19 VanDerWaalsContact O-CD2 3.26Å; K15-H19 PolarHBondContact O-N 3.31Å; K15-W84 HydrophobicContact CG-CB 4.1Å; K15-W84 HydrophobicContact CG-CD2 4.14Å; K15-W84 HydrophobicContact CG-CG 3.64Å; K15-E87 WeakPolarHBondContact CE-OE2 3.45Å; K15-E87 IonicContact NZ-OE1 2.7Å; K15-E87 PolarHBondContact NZ-OE1 3.1Å; K15-E87 IonicContact NZ-OE2 2.78Å; K15-E87 PolarHBondContact NZ-OE2 3.43Å
16Q95.8Very high95.6Very high38 Ų3843.9 Ų43.918%0.17824%0.238CC..Hα-helixtrans-55.5-41176.8-76.2178.31400113.1T12 L13 G14 G20 K21 Y22T12-Q16 VanDerWaalsContact O-CG 3.29Å; T12-Q16 WeakPolarHBondContact O-CG 3.36Å; T12-Q16 PolarHBondContact O-N 2.99Å; L13-Q16 PolarHBondContact O-N 3.22Å; G14-Q16 PolarHBondContact O-N 3.38Å; Q16-G20 PolarHBondContact O-N 3.48Å; Q16-K21 HydrophobicContact CB-CB 4.06Å; Q16-K21 HydrophobicContact CB-CD 3.9Å; Q16-K21 VanDerWaalsContact CD-NZ 3.31Å; Q16-K21 HydrophobicContact CG-CD 3.67Å; Q16-K21 VanDerWaalsContact O-CB 3.23Å; Q16-K21 WeakPolarHBondContact O-CB 3.41Å; Q16-K21 PolarHBondContact O-N 2.8Å; Q16-Y22 HydrophobicContact CB-CD2 4.2Å; Q16-Y22 HydrophobicContact CB-CE2 3.89Å; Q16-Y22 PolarHBondContact OE1-OH 3.07Å
17I96.7Very high95.7Very high1 Ų146.5 Ų46.51%0.00526%0.255CS..Hα-helixtrans-66-53176.1-69.4162.7000110.6L13 G14 K15 H19 G20 Y22 L28 L52 L57 I58 V68 W74L13-I17 HydrophobicContact CG-CD1 4.31Å; L13-I17 VanDerWaalsContact O-CG1 3.28Å; L13-I17 WeakPolarHBondContact O-CG1 3.36Å; L13-I17 PolarHBondContact O-N 3.4Å; G14-I17 PolarHBondContact O-N 3.43Å; K15-I17 VanDerWaalsContact C-N 3.28Å; K15-I17 PolarHBondContact O-N 3.5Å; I17-H19 VanDerWaalsContact C-N 3.28Å; I17-H19 PolarHBondContact O-N 2.68Å; I17-G20 PolarHBondContact O-N 2.98Å; I17-G20 VanDerWaalsContact O-N 3.11Å; I17-Y22 HydrophobicContact CG1-CD2 3.99Å; I17-L28 HydrophobicContact CD1-CD1 4.16Å; I17-L28 HydrophobicContact CD1-CD2 4.46Å; I17-L28 HydrophobicContact CG1-CD2 4.2Å; I17-L52 HydrophobicContact CD1-CD1 4.1Å; I17-L57 HydrophobicContact CD1-CB 4.36Å; I17-L57 HydrophobicContact CG2-CB 4.34Å; I17-I58 HydrophobicContact CD1-CG2 3.65Å; I17-V68 HydrophobicContact CG1-CG2 4.37Å; I17-V68 HydrophobicContact CG2-CG1 3.59Å; I17-V68 HydrophobicContact CG2-CG2 4.33Å; I17-W74 HydrophobicContact CG2-CZ2 4.09Å
18V93.7Very high95.8Very high5 Ų544.2 Ų44.23%0.0324%0.243CC..Hα-helixtrans-63.7-38-175.2172.20000111.5G14 K15 G20 L57 W74 W84 V85G14-V18 WeakPolarHBondContact O-CG2 3.46Å; G14-V18 PolarHBondContact O-N 3.06Å; K15-V18 PolarHBondContact O-N 3.5Å; V18-G20 PolarHBondContact O-N 3.45Å; V18-L57 HydrophobicContact CG2-CD1 4.19Å; V18-L57 HydrophobicContact CG2-CD2 3.91Å; V18-W74 HydrophobicContact CB-CH2 4.41Å; V18-W74 HydrophobicContact CB-CZ3 4.33Å; V18-W74 HydrophobicContact CG1-CZ3 4.13Å; V18-W74 HydrophobicContact CG2-CE3 4.45Å; V18-W74 HydrophobicContact CG2-CH2 4.25Å; V18-W74 HydrophobicContact CG2-CZ3 4.03Å; V18-W84 HydrophobicContact CB-CB 4.25Å; V18-W84 HydrophobicContact CG1-CB 4.2Å; V18-W84 HydrophobicContact CG2-CB 4.26Å; V18-W84 HydrophobicContact CG2-CE3 4.34Å; V18-V85 VanDerWaalsContact CG1-CA 3.41Å; V18-V85 HydrophobicContact CG1-CB 3.96Å; V18-V85 HydrophobicContact CG1-CG2 3.39Å; V18-V85 HydrophobicContact CG2-CG2 4.35Å
19H92.8Very high95.8Very high65 Ų6537.8 Ų37.830%0.30122%0.222SC..THydrogen-bonded Turntrans-79.1-3.1-179.5-58.5-176.7000112.7K15 I17 W84 N88K15-H19 WeakPolarHBondContact O-CB 3.49Å; K15-H19 PolarHBondContact O-CD2 3.25Å; K15-H19 VanDerWaalsContact O-CD2 3.26Å; K15-H19 PolarHBondContact O-N 3.31Å; I17-H19 VanDerWaalsContact C-N 3.28Å; I17-H19 PolarHBondContact O-N 2.68Å; H19-W84 PolarHBondContact CD2-O 3.48Å; H19-W84 PolarHBondContact NE2-O 3.35Å; H19-N88 HydrophobicContact CB-CB 4.47Å; H19-N88 VanDerWaalsContact CB-OD1 3.26Å; H19-N88 WeakPolarHBondContact CB-OD1 3.36Å; H19-N88 WeakPolarHBondContact CD2-CB 3.38Å; H19-N88 VanDerWaalsContact CG-OD1 3.24Å
20G92.6Very high95.6Very high30 Ų3039.9 Ų39.931%0.30924%0.241SC..THydrogen-bonded Turntrans86.514.4171.100000115.7Q16 I17 V18 Y22Q16-G20 PolarHBondContact O-N 3.48Å; I17-G20 PolarHBondContact O-N 2.98Å; I17-G20 VanDerWaalsContact O-N 3.11Å; V18-G20 PolarHBondContact O-N 3.45Å; G20-Y22 PolarHBondContact O-N 2.94Å
21K94.8Very high95.4Very high110 Ų11041.9 Ų41.948%0.47825%0.25SC..SBendtrans-56.7-36.7166.4-176.2-174.5172.5-172.50110.3Q16 E37Q16-K21 HydrophobicContact CB-CB 4.06Å; Q16-K21 HydrophobicContact CB-CD 3.9Å; Q16-K21 VanDerWaalsContact CD-NZ 3.31Å; Q16-K21 HydrophobicContact CG-CD 3.67Å; Q16-K21 VanDerWaalsContact O-CB 3.23Å; Q16-K21 WeakPolarHBondContact O-CB 3.41Å; Q16-K21 PolarHBondContact O-N 2.8Å; K21-E37 IonicContact NZ-OE1 3.36Å; K21-E37 PolarHBondContact NZ-OE1 3.05Å
22Y95.5Very high95.3Very high25 Ų2541.3 Ų41.310%0.09825%0.253CS..SBendtrans-117.9120.9173-50.3-70.6000109.1L13 Q16 I17 G20 L28 P29L13-Y22 HydrophobicContact CD1-CD2 4.33Å; L13-Y22 HydrophobicContact CD1-CE2 3.6Å; Q16-Y22 HydrophobicContact CB-CD2 4.2Å; Q16-Y22 HydrophobicContact CB-CE2 3.89Å; Q16-Y22 PolarHBondContact OE1-OH 3.07Å; I17-Y22 HydrophobicContact CG1-CD2 3.99Å; G20-Y22 PolarHBondContact O-N 2.94Å; Y22-L28 HydrophobicContact CD1-CD2 3.88Å; Y22-L28 HydrophobicContact CD2-CD2 3.49Å; Y22-L28 VanDerWaalsContact CD2-CD2 3.49Å; Y22-L28 HydrophobicContact CE1-CD2 4.37Å; Y22-L28 HydrophobicContact CE2-CD2 4Å; Y22-L28 HydrophobicContact CG-CD2 3.4Å; Y22-L28 VanDerWaalsContact CG-CD2 3.4Å; Y22-P29 HydrophobicContact CE1-CG 3.89Å
23V94.1Very high95.3Very high88 Ų8843.7 Ų43.753%0.53326%0.26SS..  trans-81.5148.4-175.2-62.40000111.3G25 S26 V68V23-G25 PolarHBondContact O-N 3.33Å; V23-S26 PolarHBondContact N-OG 3.47Å; V23-S26 VanDerWaalsContact O-CB 3.31Å; V23-S26 WeakPolarHBondContact O-CB 3.4Å; V23-S26 PolarHBondContact O-N 3.48Å; V23-S26 PolarHBondContact O-OG 3.33Å; V23-V68 WeakPolarHBondContact O-CB 3.34Å
24P95.4Very high95.2Very high60 Ų6043.6 Ų43.639%0.3926%0.259SS..THydrogen-bonded Turntrans-51.1131.8175-27.534.8000112.8S26 R71P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 2.9Å; P24-R71 HydrophobicContact CG-CG 3.89Å
25G95.8Very high95.2Very high44 Ų4444.5 Ų44.545%0.45427%0.265SS..THydrogen-bonded Turntrans83.5-7.6-176.100000115.3V23 F67 V68V23-G25 PolarHBondContact O-N 3.33Å; G25-F67 WeakPolarHBondContact O-CD1 3.29Å; G25-V68 PolarHBondContact N-O 3.2Å
26S96.4Very high95.2Very high27 Ų2749.4 Ų49.419%0.18929%0.289CS..PPolyproline II helixtrans-80.1151.8173.480.10000111.7V23 P24 F67 V68V23-S26 PolarHBondContact N-OG 3.47Å; V23-S26 VanDerWaalsContact O-CB 3.31Å; V23-S26 WeakPolarHBondContact O-CB 3.4Å; V23-S26 PolarHBondContact O-N 3.48Å; V23-S26 PolarHBondContact O-OG 3.33Å; P24-S26 VanDerWaalsContact C-N 3.31Å; P24-S26 PolarHBondContact O-N 2.9Å; S26-F67 WeakPolarHBondContact O-CA 3.34Å; S26-V68 PolarHBondContact O-N 3.5Å
27P96.8Very high95.2Very high77 Ų7752 Ų5250%0.530%0.301SS..BIsolated β-bridgetrans-66.4149.6168.829.6-34.1000110.5A66 F67P27-A66 WeakPolarHBondContact CA-O 3.49Å; P27-F67 HydrophobicContact CB-CD1 4.21Å; P27-F67 HydrophobicContact CB-CE1 3.8Å; P27-F67 HydrophobicContact CB-CZ 3.95Å; P27-F67 HydrophobicContact CG-CE1 4.32Å
28L96.8Very high95.2Very high15 Ų1553.8 Ų53.88%0.07931%0.309CS..PPolyproline II helixtrans-83.7161.5161.1-71.8-171.1000110.7L13 I17 Y22 F49 I58 A66 V68L13-L28 HydrophobicContact CD2-CD1 4.42Å; I17-L28 HydrophobicContact CD1-CD1 4.16Å; I17-L28 HydrophobicContact CD1-CD2 4.46Å; I17-L28 HydrophobicContact CG1-CD2 4.2Å; Y22-L28 HydrophobicContact CD1-CD2 3.88Å; Y22-L28 HydrophobicContact CD2-CD2 3.49Å; Y22-L28 VanDerWaalsContact CD2-CD2 3.49Å; Y22-L28 HydrophobicContact CE1-CD2 4.37Å; Y22-L28 HydrophobicContact CE2-CD2 4Å; Y22-L28 HydrophobicContact CG-CD2 3.4Å; Y22-L28 VanDerWaalsContact CG-CD2 3.4Å; L28-F49 HydrophobicContact CD1-CE1 4.24Å; L28-I58 HydrophobicContact CD1-CG2 3.61Å; L28-I58 HydrophobicContact CG-CG2 4.43Å; L28-A66 HydrophobicContact CB-CB 4.19Å; L28-A66 HydrophobicContact CD1-CB 4.25Å; L28-A66 HydrophobicContact CG-CB 4.49Å; L28-A66 PolarHBondContact N-O 3.43Å; L28-V68 HydrophobicContact CD2-CG2 3.78Å; L28-V68 HydrophobicContact CG-CG2 4.32Å
29P96Very high95.3Very high28 Ų2857.4 Ų57.418%0.18234%0.339CS..PPolyproline II helixtrans-54.5149.3171.1-2232.4000111.7Y22 E33 L34Y22-P29 HydrophobicContact CE1-CG 3.89Å; P29-E33 WeakPolarHBondContact CA-OE2 3.29Å; P29-E33 HydrophobicContact CB-CB 4.07Å; P29-E33 WeakPolarHBondContact CB-OE2 3.4Å; P29-L34 HydrophobicContact CB-CD2 3.75Å; P29-L34 HydrophobicContact CB-CG 3.98Å; P29-L34 HydrophobicContact CG-CD2 3.93Å
30A93.6Very high95.5Very high52 Ų5255.3 Ų55.343%0.4333%0.331SS..PPolyproline II helixtrans-65.1158.4-177.900000111.6A32 E33 L34A30-A32 PolarHBondContact O-N 3.49Å; A30-A32 VanDerWaalsContact O-N 3.08Å; A30-E33 HydrophobicContact CB-CG 4.33Å; A30-E33 PolarHBondContact N-OE2 2.95Å; A30-E33 PolarHBondContact O-N 3.29Å; A30-L34 PolarHBondContact O-N 3.14Å
31E93.3Very high95.6Very high48 Ų4856.6 Ų56.622%0.22434%0.335CS..Hα-helixtrans-52.3-38.1178.5-74-174.1-166.800112.2C35 I45 R46 F49E31-C35 WeakPolarHBondContact O-CB 3.33Å; E31-C35 PolarHBondContact O-N 3.48Å; E31-C35 PolarHBondContact O-SG 3.01Å; E31-I45 HydrophobicContact CB-CG2 4.36Å; E31-I45 HydrophobicContact CG-CG2 4.1Å; E31-R46 WeakPolarHBondContact OE1-CG 3.44Å; E31-R46 IonicContact OE1-NE 3.48Å; E31-R46 PolarHBondContact OE1-NE 3.44Å; E31-R46 IonicContact OE2-CZ 3.82Å; E31-R46 IonicContact OE2-NE 3.14Å; E31-R46 PolarHBondContact OE2-NE 3.47Å; E31-R46 VanDerWaalsContact OE2-NE 3.14Å; E31-R46 IonicContact OE2-NH2 3.65Å; E31-F49 HydrophobicContact CG-CE2 4.05Å
32A94Very high95.6Very high38 Ų3858.1 Ų58.131%0.31434%0.338SS..Hα-helixtrans-66-45178.900000112.3A30 C35 E36A30-A32 PolarHBondContact O-N 3.49Å; A30-A32 VanDerWaalsContact O-N 3.08Å; A32-C35 WeakPolarHBondContact O-CB 3.45Å; A32-C35 PolarHBondContact O-N 3.01Å; A32-E36 PolarHBondContact O-N 3.47Å
33E96.3Very high95.6Very high109 Ų10962 Ų6251%0.50936%0.36SS..Hα-helixtrans-64.1-43.1178.7-64.8166.7-179.300110.9P29 A30 C35 E36 E37P29-E33 WeakPolarHBondContact CA-OE2 3.29Å; P29-E33 HydrophobicContact CB-CB 4.07Å; P29-E33 WeakPolarHBondContact CB-OE2 3.4Å; A30-E33 HydrophobicContact CB-CG 4.33Å; A30-E33 PolarHBondContact N-OE2 2.95Å; A30-E33 PolarHBondContact O-N 3.29Å; E33-C35 VanDerWaalsContact C-N 3.32Å; E33-C35 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.47Å; E33-E37 WeakPolarHBondContact O-CB 3.35Å; E33-E37 PolarHBondContact O-N 3.41Å
34L96.5Very high95.7Very high0 Ų059.5 Ų59.50%034%0.344CS..Hα-helixtrans-67.4-32175.2-62.7177.7000112.4L13 P29 A30 E36 F38 I45 F49L13-L34 HydrophobicContact CD2-CD1 4.29Å; P29-L34 HydrophobicContact CB-CD2 3.75Å; P29-L34 HydrophobicContact CB-CG 3.98Å; P29-L34 HydrophobicContact CG-CD2 3.93Å; A30-L34 PolarHBondContact O-N 3.14Å; L34-E36 VanDerWaalsContact C-N 3.32Å; L34-F38 HydrophobicContact CB-CD2 4.37Å; L34-F38 HydrophobicContact CD2-CD2 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.04Å; L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 WeakPolarHBondContact O-CD2 3.34Å; L34-F38 PolarHBondContact O-N 3.29Å; L34-I45 HydrophobicContact CB-CD1 3.8Å; L34-I45 HydrophobicContact CB-CG1 4.1Å; L34-I45 HydrophobicContact CB-CG2 4.17Å; L34-I45 HydrophobicContact CD1-CG2 3.99Å; L34-F49 HydrophobicContact CD1-CE1 3.44Å; L34-F49 VanDerWaalsContact CD1-CE1 3.44Å; L34-F49 HydrophobicContact CD1-CZ 3.39Å
35C96.7Very high95.8Very high18 Ų1856.7 Ų56.712%0.12233%0.326CS..Hα-helixtrans-63.8-40.1173.2-72.50000111.4E31 A32 E33 A39 T40 S41 R42E31-C35 WeakPolarHBondContact O-CB 3.33Å; E31-C35 PolarHBondContact O-N 3.48Å; E31-C35 PolarHBondContact O-SG 3.01Å; A32-C35 WeakPolarHBondContact O-CB 3.45Å; A32-C35 PolarHBondContact O-N 3.01Å; E33-C35 VanDerWaalsContact C-N 3.32Å; E33-C35 PolarHBondContact O-N 3.33Å; C35-A39 CarbonylContact O-C 3.57Å; C35-A39 VanDerWaalsContact O-CA 3.23Å; C35-A39 WeakPolarHBondContact O-CA 3.28Å; C35-A39 PolarHBondContact O-N 3.5Å; C35-T40 WeakPolarHBondContact CB-O 3.43Å; C35-T40 PolarHBondContact O-N 2.93Å; C35-S41 VanDerWaalsContact SG-C 3.51Å; C35-R42 VanDerWaalsContact SG-CA 3.59Å; C35-R42 PolarHBondContact SG-N 3.45Å; C35-R42 VanDerWaalsContact SG-N 3.4Å
36E96.7Very high95.8Very high160 Ų16059.7 Ų59.775%0.74832%0.323SS*.Hα-helixtrans-68.9-50.1175.4-69.3173.8-165.900111.1A32 E33 L34 F38 A39A32-E36 PolarHBondContact O-N 3.47Å; E33-E36 PolarHBondContact O-N 3.47Å; L34-E36 VanDerWaalsContact C-N 3.32Å; E36-F38 PolarHBondContact O-N 2.61Å; E36-A39 PolarHBondContact O-N 3.49Å
37E95.6Very high95.8Very high93 Ų9362.7 Ų62.744%0.43533%0.334SS..Hα-helixtrans-57.5-46-179.9-176.4178.6175.400112.1K21 E33K21-E37 IonicContact NZ-OE1 3.36Å; K21-E37 PolarHBondContact NZ-OE1 3.05Å; E33-E37 WeakPolarHBondContact O-CB 3.35Å; E33-E37 PolarHBondContact O-N 3.41Å
38F95.9Very high95.8Very high37 Ų3759 Ų5916%0.16231%0.311CS..THydrogen-bonded Turntrans-95.38.1-178.2-66.2-71.4000113.9K5 I9 T12 L34 E36 T40 I45K5-F38 WeakPolarHBondContact CE-O 3.4Å; K5-F38 PolarHBondContact NZ-O 3.42Å; I9-F38 HydrophobicContact CD1-CB 3.81Å; I9-F38 HydrophobicContact CD1-CD1 4.46Å; I9-F38 HydrophobicContact CD1-CG 4.14Å; I9-F38 HydrophobicContact CG1-CB 4.2Å; I9-F38 HydrophobicContact CG1-CD1 3.9Å; I9-F38 HydrophobicContact CG1-CE1 4.49Å; I9-F38 HydrophobicContact CG1-CG 4.04Å; I9-F38 HydrophobicContact CG2-CD1 4.14Å; I9-F38 HydrophobicContact CG2-CD2 3.89Å; I9-F38 HydrophobicContact CG2-CE1 4.19Å; I9-F38 HydrophobicContact CG2-CE2 3.94Å; I9-F38 HydrophobicContact CG2-CG 3.99Å; I9-F38 HydrophobicContact CG2-CZ 4.09Å; T12-F38 HydrophobicContact CG2-CE1 3.95Å; T12-F38 HydrophobicContact CG2-CZ 4.24Å; L34-F38 HydrophobicContact CB-CD2 4.37Å; L34-F38 HydrophobicContact CD2-CD2 4.46Å; L34-F38 HydrophobicContact CD2-CE2 4.04Å; L34-F38 WeakPolarHBondContact O-CB 3.45Å; L34-F38 WeakPolarHBondContact O-CD2 3.34Å; L34-F38 PolarHBondContact O-N 3.29Å; E36-F38 PolarHBondContact O-N 2.61Å; F38-T40 VanDerWaalsContact C-N 3.26Å; F38-T40 HydrophobicContact CB-CG2 3.96Å; F38-T40 PolarHBondContact O-N 2.93Å; F38-I45 HydrophobicContact CD2-CD1 4.36Å
39A95.6Very high95.9Very high81 Ų8158.8 Ų58.867%0.66931%0.309SS*.THydrogen-bonded Turntrans44.250.6-176.600000112.3K5 C35 E36K5-A39 PolarHBondContact NZ-O 3.25Å; C35-A39 CarbonylContact O-C 3.57Å; C35-A39 VanDerWaalsContact O-CA 3.23Å; C35-A39 WeakPolarHBondContact O-CA 3.28Å; C35-A39 PolarHBondContact O-N 3.5Å; E36-A39 PolarHBondContact O-N 3.49Å
40T96.2Very high95.9Very high21 Ų2164.9 Ų64.913%0.12933%0.328CS..  trans-132.5177.8-168.3-159.90000112.8K5 I9 C35 F38 I44 I45K5-T40 WeakPolarHBondContact CE-OG1 3.42Å; I9-T40 HydrophobicContact CD1-CG2 4.07Å; C35-T40 WeakPolarHBondContact CB-O 3.43Å; C35-T40 PolarHBondContact O-N 2.93Å; F38-T40 VanDerWaalsContact C-N 3.26Å; F38-T40 HydrophobicContact CB-CG2 3.96Å; F38-T40 PolarHBondContact O-N 2.93Å; T40-I44 HydrophobicContact CG2-CB 4.41Å; T40-I44 HydrophobicContact CG2-CG2 4.26Å; T40-I44 WeakPolarHBondContact OG1-CB 3.41Å; T40-I44 WeakPolarHBondContact OG1-CD1 3.43Å; T40-I44 WeakPolarHBondContact OG1-CG2 3.47Å; T40-I45 HydrophobicContact CG2-CD1 3.45Å; T40-I45 VanDerWaalsContact CG2-CD1 3.45Å; T40-I45 HydrophobicContact CG2-CG1 3.67Å
41S95.5Very high96.1Very high57 Ų5764.4 Ų64.440%0.39932%0.321SS..  trans-93.4158.117875.30000112.3C35 N43 I44 I45C35-S41 VanDerWaalsContact SG-C 3.51Å; S41-N43 PolarHBondContact O-N 2.89Å; S41-I44 PolarHBondContact O-N 2.89Å; S41-I44 VanDerWaalsContact O-N 3.1Å; S41-I44 PolarHBondContact OG-N 3Å; S41-I45 PolarHBondContact O-N 3.37Å; S41-I45 VanDerWaalsContact O-N 3.15Å
42R95.1Very high96.3Very high142 Ų14262.1 Ų62.154%0.53631%0.311SS..Hα-helixtrans-58.4-33.1175-67.2-173.5-178.6-154.31113C35 I44 I45 R46C35-R42 VanDerWaalsContact SG-CA 3.59Å; C35-R42 PolarHBondContact SG-N 3.45Å; C35-R42 VanDerWaalsContact SG-N 3.4Å; R42-I44 VanDerWaalsContact C-N 3.34Å; R42-I45 PolarHBondContact O-N 3.12Å; R42-R46 WeakPolarHBondContact O-CB 3.49Å; R42-R46 VanDerWaalsContact O-CG 3.24Å; R42-R46 WeakPolarHBondContact O-CG 3.36Å; R42-R46 PolarHBondContact O-N 2.98Å
43N95.8Very high96.5Very high106 Ų10663.6 Ų63.657%0.56731%0.312SS*.Hα-helixtrans-63.1-42.6177.2-76.6-4.7000111.3S41 R46 E47S41-N43 PolarHBondContact O-N 2.89Å; N43-R46 PolarHBondContact O-N 3.45Å; N43-E47 WeakPolarHBondContact O-CG 3.42Å; N43-E47 PolarHBondContact O-N 3.25Å
44I96.6Very high96.5Very high37 Ų3761.9 Ų61.919%0.1932%0.317CS..Hα-helixtrans-64.5-45.9176.3-68.9169.3000110.3K5 I9 T40 S41 R42 R46 E47 V48K5-I44 HydrophobicContact CD-CD1 4.33Å; I9-I44 HydrophobicContact CD1-CG2 3.84Å; T40-I44 HydrophobicContact CG2-CB 4.41Å; T40-I44 HydrophobicContact CG2-CG2 4.26Å; T40-I44 WeakPolarHBondContact OG1-CB 3.41Å; T40-I44 WeakPolarHBondContact OG1-CD1 3.43Å; T40-I44 WeakPolarHBondContact OG1-CG2 3.47Å; S41-I44 PolarHBondContact O-N 2.89Å; S41-I44 VanDerWaalsContact O-N 3.1Å; S41-I44 PolarHBondContact OG-N 3Å; R42-I44 VanDerWaalsContact C-N 3.34Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.25Å; I44-E47 PolarHBondContact O-N 2.97Å; I44-E47 VanDerWaalsContact O-N 3.12Å; I44-V48 HydrophobicContact CG2-CG2 4.35Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.35Å; I44-V48 PolarHBondContact O-N 3.48Å
45I97.1Very high96.5Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-61.3-36.6177.3-62.4-54.1000111.9E31 L34 F38 T40 S41 R42 V48 F49E31-I45 HydrophobicContact CB-CG2 4.36Å; E31-I45 HydrophobicContact CG-CG2 4.1Å; L34-I45 HydrophobicContact CB-CD1 3.8Å; L34-I45 HydrophobicContact CB-CG1 4.1Å; L34-I45 HydrophobicContact CB-CG2 4.17Å; L34-I45 HydrophobicContact CD1-CG2 3.99Å; F38-I45 HydrophobicContact CD2-CD1 4.36Å; T40-I45 HydrophobicContact CG2-CD1 3.45Å; T40-I45 VanDerWaalsContact CG2-CD1 3.45Å; T40-I45 HydrophobicContact CG2-CG1 3.67Å; S41-I45 PolarHBondContact O-N 3.37Å; S41-I45 VanDerWaalsContact O-N 3.15Å; R42-I45 PolarHBondContact O-N 3.12Å; I45-V48 WeakPolarHBondContact O-CB 3.44Å; I45-V48 PolarHBondContact O-N 3.28Å; I45-F49 HydrophobicContact CG2-CD1 4.41Å; I45-F49 HydrophobicContact CG2-CD2 4.47Å; I45-F49 HydrophobicContact CG2-CE1 4.16Å; I45-F49 HydrophobicContact CG2-CE2 4.22Å; I45-F49 HydrophobicContact CG2-CZ 4.07Å; I45-F49 WeakPolarHBondContact O-CG 3.38Å; I45-F49 PolarHBondContact O-N 2.95Å
46R95.1Very high96.6Very high108 Ų10869 Ų6941%0.40834%0.341SS..Hα-helixtrans-65.7-38.4174.9-73.8168.7179.4-172.8-4.8112.6E31 R42 N43 I44 F49 R50E31-R46 WeakPolarHBondContact OE1-CG 3.44Å; E31-R46 IonicContact OE1-NE 3.48Å; E31-R46 PolarHBondContact OE1-NE 3.44Å; E31-R46 IonicContact OE2-CZ 3.82Å; E31-R46 IonicContact OE2-NE 3.14Å; E31-R46 PolarHBondContact OE2-NE 3.47Å; E31-R46 VanDerWaalsContact OE2-NE 3.14Å; E31-R46 IonicContact OE2-NH2 3.65Å; R42-R46 WeakPolarHBondContact O-CB 3.49Å; R42-R46 VanDerWaalsContact O-CG 3.24Å; R42-R46 WeakPolarHBondContact O-CG 3.36Å; R42-R46 PolarHBondContact O-N 2.98Å; N43-R46 PolarHBondContact O-N 3.45Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.25Å; R46-F49 PolarHBondContact O-N 3.35Å; R46-R50 WeakPolarHBondContact O-CG 3.43Å; R46-R50 PolarHBondContact O-N 3.15Å
47E96.8Very high96.7Very high90 Ų9061.3 Ų61.342%0.42131%0.305SS..Hα-helixtrans-66.6-42.2173.2-72.4174.8-17700111.8T6 N43 I44 F49 R50 S51T6-E47 HydrophobicContact CG2-CB 3.82Å; T6-E47 PolarHBondContact OG1-OE2 3.45Å; N43-E47 WeakPolarHBondContact O-CG 3.42Å; N43-E47 PolarHBondContact O-N 3.25Å; I44-E47 PolarHBondContact O-N 2.97Å; I44-E47 VanDerWaalsContact O-N 3.12Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.37Å; E47-R50 PolarHBondContact O-N 3.07Å; E47-S51 PolarHBondContact O-N 2.85Å
48V97.7Very high96.8Very high0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-56.2-48.7172.8171.60000110.1T6 I9 V10 L13 I44 I45 R50 S51 L52T6-V48 HydrophobicContact CG2-CG2 4.05Å; I9-V48 HydrophobicContact CB-CG2 3.75Å; I9-V48 HydrophobicContact CG2-CB 4.4Å; I9-V48 HydrophobicContact CG2-CG1 3.94Å; I9-V48 HydrophobicContact CG2-CG2 3.66Å; V10-V48 HydrophobicContact CG2-CB 4.17Å; V10-V48 HydrophobicContact CG2-CG1 4.05Å; V10-V48 HydrophobicContact CG2-CG2 4.07Å; L13-V48 HydrophobicContact CD2-CG1 4.07Å; I44-V48 HydrophobicContact CG2-CG2 4.35Å; I44-V48 VanDerWaalsContact O-CG2 3.29Å; I44-V48 WeakPolarHBondContact O-CG2 3.35Å; I44-V48 PolarHBondContact O-N 3.48Å; I45-V48 WeakPolarHBondContact O-CB 3.44Å; I45-V48 PolarHBondContact O-N 3.28Å; V48-R50 PolarHBondContact O-N 2.84Å; V48-S51 WeakPolarHBondContact O-CB 3.32Å; V48-S51 PolarHBondContact O-N 2.83Å; V48-L52 HydrophobicContact CG1-CD1 3.93Å; V48-L52 HydrophobicContact CG1-CG 4.37Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.35Å
49F97.3Very high96.9Very high9 Ų958.6 Ų58.64%0.03929%0.293CS..Hα-helixtrans-62.9-39.4177.6-76.3-1000112.6L13 L28 E31 L34 I45 R46 E47 S51 L52 M53 I58 M60 A66L13-F49 HydrophobicContact CD2-CE1 4.16Å; L28-F49 HydrophobicContact CD1-CE1 4.24Å; E31-F49 HydrophobicContact CG-CE2 4.05Å; L34-F49 HydrophobicContact CD1-CE1 3.44Å; L34-F49 VanDerWaalsContact CD1-CE1 3.44Å; L34-F49 HydrophobicContact CD1-CZ 3.39Å; I45-F49 HydrophobicContact CG2-CD1 4.41Å; I45-F49 HydrophobicContact CG2-CD2 4.47Å; I45-F49 HydrophobicContact CG2-CE1 4.16Å; I45-F49 HydrophobicContact CG2-CE2 4.22Å; I45-F49 HydrophobicContact CG2-CZ 4.07Å; I45-F49 WeakPolarHBondContact O-CG 3.38Å; I45-F49 PolarHBondContact O-N 2.95Å; R46-F49 PolarHBondContact O-N 3.35Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.37Å; F49-S51 VanDerWaalsContact C-N 3.32Å; F49-S51 PolarHBondContact O-N 3.38Å; F49-L52 PolarHBondContact O-N 3.13Å; F49-M53 WeakPolarHBondContact O-CB 3.43Å; F49-M53 VanDerWaalsContact O-CG 3.28Å; F49-M53 WeakPolarHBondContact O-CG 3.42Å; F49-M53 PolarHBondContact O-N 3.33Å; F49-I58 HydrophobicContact CB-CD1 3.98Å; F49-I58 HydrophobicContact CD1-CD1 3.89Å; F49-I58 HydrophobicContact CG-CD1 3.98Å; F49-M60 HydrophobicContact CD2-CE 4.48Å; F49-M60 HydrophobicContact CD2-SD 4.17Å; F49-A66 HydrophobicContact CD2-CB 4.28Å; F49-A66 HydrophobicContact CE1-CB 4.45Å; F49-A66 HydrophobicContact CE2-CB 3.86Å; F49-A66 HydrophobicContact CZ-CB 3.94Å
50R96.8Very high96.9Very high157 Ų15759.1 Ų59.159%0.59228%0.283SS*.Hα-helixtrans-60-43.1173.5-72.7176-161.1149.61.9112R46 E47 V48 M53 A54R46-R50 WeakPolarHBondContact O-CG 3.43Å; R46-R50 PolarHBondContact O-N 3.15Å; E47-R50 PolarHBondContact O-N 3.07Å; V48-R50 PolarHBondContact O-N 2.84Å; R50-M53 HydrophobicContact CB-CE 4.4Å; R50-M53 HydrophobicContact CG-CE 4.07Å; R50-M53 PolarHBondContact O-N 3.15Å; R50-A54 PolarHBondContact O-N 3.22Å
51S97.5Very high96.7Very high41 Ų4161.5 Ų61.529%0.28729%0.292SS..Hα-helixtrans-64.1-47.8176.9-173.40000111.6E47 V48 F49 M53 A54 K55E47-S51 PolarHBondContact O-N 2.85Å; V48-S51 WeakPolarHBondContact O-CB 3.32Å; V48-S51 PolarHBondContact O-N 2.83Å; F49-S51 VanDerWaalsContact C-N 3.32Å; F49-S51 PolarHBondContact O-N 3.38Å; S51-M53 VanDerWaalsContact C-N 3.3Å; S51-M53 PolarHBondContact O-N 3.34Å; S51-A54 WeakPolarHBondContact O-CB 3.45Å; S51-A54 PolarHBondContact O-N 3.43Å; S51-A54 VanDerWaalsContact O-N 3.13Å; S51-K55 WeakPolarHBondContact O-CG 3.47Å; S51-K55 PolarHBondContact O-N 2.73Å
52L98.1Very high96.5Very high0 Ų068.1 Ų68.10%031%0.308CS..Hα-helixtrans-65-31.3177.9-66176.6000113.1V10 L13 I17 V48 F49 R56 L57 I58V10-L52 HydrophobicContact CG1-CD2 4.28Å; L13-L52 HydrophobicContact CB-CD1 4.15Å; L13-L52 HydrophobicContact CD2-CD1 3.59Å; L13-L52 HydrophobicContact CG-CD1 3.75Å; I17-L52 HydrophobicContact CD1-CD1 4.1Å; V48-L52 HydrophobicContact CG1-CD1 3.93Å; V48-L52 HydrophobicContact CG1-CG 4.37Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.35Å; F49-L52 PolarHBondContact O-N 3.13Å; L52-R56 PolarHBondContact O-N 2.85Å; L52-L57 HydrophobicContact CD2-CD1 4Å; L52-L57 PolarHBondContact O-N 3.34Å; L52-I58 HydrophobicContact CB-CD1 3.82Å; L52-I58 HydrophobicContact CB-CG1 3.78Å; L52-I58 HydrophobicContact CB-CG2 4.37Å
53M97.7Very high96.2Very high70 Ų7070.8 Ų70.835%0.34532%0.319SS..Hα-helixtrans-68.1-42.3171.2-78.3-171.7-67.200112.1F49 R50 S51 K55 R56 I58 M60F49-M53 WeakPolarHBondContact O-CB 3.43Å; F49-M53 VanDerWaalsContact O-CG 3.28Å; F49-M53 WeakPolarHBondContact O-CG 3.42Å; F49-M53 PolarHBondContact O-N 3.33Å; R50-M53 HydrophobicContact CB-CE 4.4Å; R50-M53 HydrophobicContact CG-CE 4.07Å; R50-M53 PolarHBondContact O-N 3.15Å; S51-M53 VanDerWaalsContact C-N 3.3Å; S51-M53 PolarHBondContact O-N 3.34Å; M53-K55 PolarHBondContact O-N 3.12Å; M53-R56 WeakPolarHBondContact O-CA 3.44Å; M53-R56 PolarHBondContact O-N 2.98Å; M53-I58 HydrophobicContact CB-CG1 4.5Å; M53-I58 HydrophobicContact CG-CD1 4.1Å; M53-I58 HydrophobicContact CG-CG1 3.71Å; M53-M60 HydrophobicContact CE-CG 4.11Å; M53-M60 HydrophobicContact CG-CG 4.28Å; M53-M60 HydrophobicContact SD-CB 4.14Å; M53-M60 HydrophobicContact SD-CG 3.27Å; M53-M60 WeakPolarHBondContact SD-CG 3.48Å
54A96.9Very high95.9Very high73 Ų7375 Ų7560%0.60333%0.327SS*.Hα-helixtrans-61.2-35.5176.300000111.6R50 S51 R56R50-A54 PolarHBondContact O-N 3.22Å; S51-A54 WeakPolarHBondContact O-CB 3.45Å; S51-A54 PolarHBondContact O-N 3.43Å; S51-A54 VanDerWaalsContact O-N 3.13Å; A54-R56 PolarHBondContact O-N 3.48Å
55K97.1Very high95.8Very high13 Ų1374.7 Ų74.76%0.05733%0.334CS..THydrogen-bonded Turntrans-75.8-5.2172-66.3-177.3-176.2-63.40114.2S51 M53 L57 N75 D78 D80 V81 W84S51-K55 WeakPolarHBondContact O-CG 3.47Å; S51-K55 PolarHBondContact O-N 2.73Å; M53-K55 PolarHBondContact O-N 3.12Å; K55-L57 HydrophobicContact CB-CG 4.2Å; K55-L57 PolarHBondContact O-N 2.94Å; K55-N75 WeakPolarHBondContact O-CB 3.37Å; K55-N75 PolarHBondContact O-N 2.8Å; K55-N75 VanDerWaalsContact O-N 3.13Å; K55-D78 IonicContact NZ-OD1 3.44Å; K55-D78 PolarHBondContact NZ-OD1 2.89Å; K55-D78 IonicContact NZ-OD2 2.66Å; K55-D78 PolarHBondContact NZ-OD2 2.98Å; K55-D80 VanDerWaalsContact CE-OD2 3.29Å; K55-D80 WeakPolarHBondContact CE-OD2 3.39Å; K55-D80 IonicContact NZ-OD2 2.75Å; K55-D80 PolarHBondContact NZ-OD2 2.94Å; K55-V81 HydrophobicContact CB-CG2 3.69Å; K55-V81 HydrophobicContact CD-CG2 4.11Å; K55-V81 HydrophobicContact CG-CG2 4.1Å; K55-W84 HydrophobicContact CD-CH2 3.96Å; K55-W84 HydrophobicContact CD-CZ3 4.02Å
56R98Very high95.8Very high153 Ų15375 Ų7558%0.57734%0.336SS*.THydrogen-bonded Turntrans56.927.2-176.8-54.2179.7177.8173.2-1114.1L52 M53 A54 A69 Q73 W74 N75L52-R56 PolarHBondContact O-N 2.85Å; M53-R56 WeakPolarHBondContact O-CA 3.44Å; M53-R56 PolarHBondContact O-N 2.98Å; A54-R56 PolarHBondContact O-N 3.48Å; R56-A69 VanDerWaalsContact O-CB 3.23Å; R56-A69 WeakPolarHBondContact O-CB 3.41Å; R56-Q73 WeakPolarHBondContact CB-O 3.15Å; R56-Q73 WeakPolarHBondContact CD-O 3.49Å; R56-W74 VanDerWaalsContact O-CD1 3.25Å; R56-N75 HydrophobicContact CG-CB 4.4Å
57L98.1Very high95.9Very high0 Ų071 Ų710%032%0.322CS..SBendtrans-80.5-24.9173.9-67.9-177000112I17 V18 L52 K55 A69 W74 V81 W84I17-L57 HydrophobicContact CD1-CB 4.36Å; I17-L57 HydrophobicContact CG2-CB 4.34Å; V18-L57 HydrophobicContact CG2-CD1 4.19Å; V18-L57 HydrophobicContact CG2-CD2 3.91Å; L52-L57 HydrophobicContact CD2-CD1 4Å; L52-L57 PolarHBondContact O-N 3.34Å; K55-L57 HydrophobicContact CB-CG 4.2Å; K55-L57 PolarHBondContact O-N 2.94Å; L57-A69 PolarHBondContact O-N 3.38Å; L57-W74 HydrophobicContact CD2-CB 4.22Å; L57-W74 HydrophobicContact CD2-CD2 3.63Å; L57-W74 HydrophobicContact CD2-CE3 4.16Å; L57-W74 HydrophobicContact CD2-CG 3.66Å; L57-W74 HydrophobicContact CD2-CZ2 4.47Å; L57-V81 HydrophobicContact CD1-CG2 4.3Å; L57-V81 HydrophobicContact CD2-CG1 4.21Å; L57-V81 HydrophobicContact CD2-CG2 4.28Å; L57-V81 HydrophobicContact CG-CG2 4.21Å; L57-W84 HydrophobicContact CD1-CE3 3.96Å; L57-W84 HydrophobicContact CD1-CZ3 3.6Å
58I98.2Very high96Very high7 Ų766.7 Ų66.74%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-133.4156.3178.268.7171000111.9I17 L28 F49 L52 M53 A66 F67I17-I58 HydrophobicContact CD1-CG2 3.65Å; L28-I58 HydrophobicContact CD1-CG2 3.61Å; L28-I58 HydrophobicContact CG-CG2 4.43Å; F49-I58 HydrophobicContact CB-CD1 3.98Å; F49-I58 HydrophobicContact CD1-CD1 3.89Å; F49-I58 HydrophobicContact CG-CD1 3.98Å; L52-I58 HydrophobicContact CB-CD1 3.82Å; L52-I58 HydrophobicContact CB-CG1 3.78Å; L52-I58 HydrophobicContact CB-CG2 4.37Å; M53-I58 HydrophobicContact CB-CG1 4.5Å; M53-I58 HydrophobicContact CG-CD1 4.1Å; M53-I58 HydrophobicContact CG-CG1 3.71Å; I58-A66 HydrophobicContact CD1-CB 4.14Å; I58-F67 CarbonylContact C-O 3.59Å; I58-F67 WeakPolarHBondContact CA-O 3.46Å; I58-F67 WeakPolarHBondContact CB-O 3.48Å
59E97.3Very high96Very high66 Ų6666.9 Ų66.931%0.30830%0.303SS..EExtended strand (participates in β ladder)trans-123.7140170.459.6179.6-179.300110.2K61 A66 F67E59-K61 WeakPolarHBondContact OE1-CE 3.38Å; E59-K61 IonicContact OE1-NZ 2.78Å; E59-K61 PolarHBondContact OE1-NZ 3.12Å; E59-A66 WeakPolarHBondContact O-CA 3.2Å; E59-F67 HydrophobicContact CG-CB 3.97Å; E59-F67 PolarHBondContact N-O 3.2Å; E59-F67 PolarHBondContact O-N 3.16Å
60M95.7Very high95.9Very high91 Ų9168.5 Ų68.545%0.44831%0.314SS..EExtended strand (participates in β ladder)trans-91.7115.9175-67-63.4-6700109.9F49 M53 A66F49-M60 HydrophobicContact CD2-CE 4.48Å; F49-M60 HydrophobicContact CD2-SD 4.17Å; M53-M60 HydrophobicContact CE-CG 4.11Å; M53-M60 HydrophobicContact CG-CG 4.28Å; M53-M60 HydrophobicContact SD-CB 4.14Å; M53-M60 HydrophobicContact SD-CG 3.27Å; M53-M60 WeakPolarHBondContact SD-CG 3.48Å; M60-A66 HydrophobicContact SD-CB 3.62Å
61K93.3Very high95.7Very high72 Ų7266.6 Ų66.631%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-95.5128.8175.8-66.6-171.8-176.4166.70110.3E59 Y63 R64 G65 F67E59-K61 WeakPolarHBondContact OE1-CE 3.38Å; E59-K61 IonicContact OE1-NZ 2.78Å; E59-K61 PolarHBondContact OE1-NZ 3.12Å; K61-Y63 PolarHBondContact O-N 3.32Å; K61-R64 HydrophobicContact CB-CB 3.92Å; K61-R64 PolarHBondContact O-N 3.49Å; K61-G65 PolarHBondContact N-O 3Å; K61-G65 PolarHBondContact O-N 2.9Å; K61-G65 VanDerWaalsContact O-N 3.1Å; K61-F67 HydrophobicContact CB-CD2 3.9Å; K61-F67 HydrophobicContact CB-CE2 3.96Å; K61-F67 HydrophobicContact CD-CB 4.45Å; K61-F67 HydrophobicContact CD-CD1 4.38Å; K61-F67 HydrophobicContact CD-CD2 3.57Å; K61-F67 HydrophobicContact CD-CE2 3.89Å; K61-F67 HydrophobicContact CD-CG 3.87Å; K61-F67 HydrophobicContact CD-CZ 4.41Å; K61-F67 HydrophobicContact CG-CD2 3.73Å; K61-F67 HydrophobicContact CG-CE2 4.19Å; K61-F67 HydrophobicContact CG-CG 4.36Å
62R89.9Confident95.3Very high196 Ų19671.3 Ų71.374%0.7433%0.329SS*.THydrogen-bonded Turntrans-52.4125.5178.3-164.9-175173.5175.6-6.1110R64R62-R64 PolarHBondContact O-N 3.25Å
63Y89.3Confident95.1Very high198 Ų19876 Ų7678%0.77635%0.351SS*.THydrogen-bonded Turntrans60.36.3-178-47.7-61.3000116.7K61K61-Y63 PolarHBondContact O-N 3.32Å
64R90.6Very high95Very high193 Ų19373.2 Ų73.273%0.72834%0.337SS*.THydrogen-bonded Turntrans-120.1-14.9-179.2-62-175.2177.9-176.4-0.1113.8K61 R62 F67K61-R64 HydrophobicContact CB-CB 3.92Å; K61-R64 PolarHBondContact O-N 3.49Å; R62-R64 PolarHBondContact O-N 3.25Å; R64-F67 HydrophobicContact CB-CE2 3.55Å; R64-F67 HydrophobicContact CB-CZ 3.94Å; R64-F67 WeakPolarHBondContact O-CE2 3.13Å
65G92.9Very high94.9Very high32 Ų3271.7 Ų71.733%0.3332%0.318SS..EExtended strand (participates in β ladder)trans92-158.3178.100000113.2K61 F67K61-G65 PolarHBondContact N-O 3Å; K61-G65 PolarHBondContact O-N 2.9Å; K61-G65 VanDerWaalsContact O-N 3.1Å; G65-F67 WeakPolarHBondContact O-CD2 3.42Å
66A97.1Very high94.5Very high5 Ų574.1 Ų74.14%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-84.2135.9-178.300000111.2P27 L28 F49 I58 E59 M60P27-A66 WeakPolarHBondContact CA-O 3.49Å; L28-A66 HydrophobicContact CB-CB 4.19Å; L28-A66 HydrophobicContact CD1-CB 4.25Å; L28-A66 HydrophobicContact CG-CB 4.49Å; L28-A66 PolarHBondContact N-O 3.43Å; F49-A66 HydrophobicContact CD2-CB 4.28Å; F49-A66 HydrophobicContact CE1-CB 4.45Å; F49-A66 HydrophobicContact CE2-CB 3.86Å; F49-A66 HydrophobicContact CZ-CB 3.94Å; I58-A66 HydrophobicContact CD1-CB 4.14Å; E59-A66 WeakPolarHBondContact O-CA 3.2Å; M60-A66 HydrophobicContact SD-CB 3.62Å
67F98.1Very high94Very high25 Ų2571 Ų7111%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-125.5146.4175.3-74.3-103000109.7G25 S26 P27 I58 E59 K61 R64 G65 A69G25-F67 WeakPolarHBondContact O-CD1 3.29Å; S26-F67 WeakPolarHBondContact O-CA 3.34Å; P27-F67 HydrophobicContact CB-CD1 4.21Å; P27-F67 HydrophobicContact CB-CE1 3.8Å; P27-F67 HydrophobicContact CB-CZ 3.95Å; P27-F67 HydrophobicContact CG-CE1 4.32Å; I58-F67 CarbonylContact C-O 3.59Å; I58-F67 WeakPolarHBondContact CA-O 3.46Å; I58-F67 WeakPolarHBondContact CB-O 3.48Å; E59-F67 HydrophobicContact CG-CB 3.97Å; E59-F67 PolarHBondContact N-O 3.2Å; E59-F67 PolarHBondContact O-N 3.16Å; K61-F67 HydrophobicContact CB-CD2 3.9Å; K61-F67 HydrophobicContact CB-CE2 3.96Å; K61-F67 HydrophobicContact CD-CB 4.45Å; K61-F67 HydrophobicContact CD-CD1 4.38Å; K61-F67 HydrophobicContact CD-CD2 3.57Å; K61-F67 HydrophobicContact CD-CE2 3.89Å; K61-F67 HydrophobicContact CD-CG 3.87Å; K61-F67 HydrophobicContact CD-CZ 4.41Å; K61-F67 HydrophobicContact CG-CD2 3.73Å; K61-F67 HydrophobicContact CG-CE2 4.19Å; K61-F67 HydrophobicContact CG-CG 4.36Å; R64-F67 HydrophobicContact CB-CE2 3.55Å; R64-F67 HydrophobicContact CB-CZ 3.94Å; R64-F67 WeakPolarHBondContact O-CE2 3.13Å; G65-F67 WeakPolarHBondContact O-CD2 3.42Å; F67-A69 PolarHBondContact O-N 2.92Å
68V98.3Very high93.6Very high0 Ų072.7 Ų72.70%033%0.331CS..EExtended strand (participates in β ladder)trans-67.1126.7172.8-1780000109.3I17 V23 G25 S26 L28 W74I17-V68 HydrophobicContact CG1-CG2 4.37Å; I17-V68 HydrophobicContact CG2-CG1 3.59Å; I17-V68 HydrophobicContact CG2-CG2 4.33Å; V23-V68 WeakPolarHBondContact O-CB 3.34Å; G25-V68 PolarHBondContact N-O 3.2Å; S26-V68 PolarHBondContact O-N 3.5Å; L28-V68 HydrophobicContact CD2-CG2 3.78Å; L28-V68 HydrophobicContact CG-CG2 4.32Å; V68-W74 HydrophobicContact CG1-CZ2 4.47Å
69A97.7Very high93Very high4 Ų474.2 Ų74.23%0.03334%0.341CS..PPolyproline II helixtrans-70.2151.1178.200000111.3R56 L57 F67 W74R56-A69 VanDerWaalsContact O-CB 3.23Å; R56-A69 WeakPolarHBondContact O-CB 3.41Å; L57-A69 PolarHBondContact O-N 3.38Å; F67-A69 PolarHBondContact O-N 2.92Å; A69-W74 PolarHBondContact O-NE1 3.23Å
70P95.1Very high92.6Very high42 Ų4273.9 Ų73.927%0.27334%0.341SS..PPolyproline II helixtrans-52139.4168.6-26.635.9000112.5N72 Q73P70-N72 WeakPolarHBondContact CB-OD1 3.48Å; P70-N72 PolarHBondContact O-N 3.38Å; P70-N72 VanDerWaalsContact O-N 3.13Å; P70-Q73 HydrophobicContact CB-CG 4.29Å; P70-Q73 WeakPolarHBondContact O-CB 3.41Å; P70-Q73 PolarHBondContact O-N 3.11Å
71R92Very high92.4Very high118 Ų11869.5 Ų69.545%0.44532%0.32SS..G310 helixtrans-57-31.4-176.5-72.2-169.9175.8-173-2114.2P24 Q73 W74 Y76P24-R71 HydrophobicContact CG-CG 3.89Å; R71-Q73 PolarHBondContact O-N 2.96Å; R71-W74 HydrophobicContact CB-CD2 4.46Å; R71-W74 HydrophobicContact CG-CD2 4.39Å; R71-W74 HydrophobicContact CG-CE3 4.33Å; R71-W74 HydrophobicContact CG-CH2 3.71Å; R71-W74 HydrophobicContact CG-CZ2 3.75Å; R71-W74 HydrophobicContact CG-CZ3 4Å; R71-W74 PolarHBondContact O-N 3.34Å; R71-Y76 VanDerWaalsContact O-CE2 3.24Å; R71-Y76 WeakPolarHBondContact O-CE2 3.28Å; R71-Y76 PolarHBondContact O-OH 3.01Å
72N90.7Very high92.1Very high140 Ų14066.1 Ų66.175%0.74931%0.305SS*.G310 helixtrans-74.4-4.7178.165.6-25.5000113.7P70P70-N72 WeakPolarHBondContact CB-OD1 3.48Å; P70-N72 PolarHBondContact O-N 3.38Å; P70-N72 VanDerWaalsContact O-N 3.13Å
73Q94.3Very high92Very high97 Ų9758.4 Ų58.445%0.45328%0.277SS..G310 helixtrans-104.9-10.7176.5-62.6-178.41.400113.1R56 P70 R71R56-Q73 WeakPolarHBondContact CB-O 3.15Å; R56-Q73 WeakPolarHBondContact CD-O 3.49Å; P70-Q73 HydrophobicContact CB-CG 4.29Å; P70-Q73 WeakPolarHBondContact O-CB 3.41Å; P70-Q73 PolarHBondContact O-N 3.11Å; R71-Q73 PolarHBondContact O-N 2.96Å
74W95.2Very high92Very high12 Ų1249.2 Ų49.25%0.04524%0.241CC..SBendtrans-58.6145.6177.5-64.7-3.4000110.7I17 V18 R56 L57 V68 A69 R71 Y76 V81 V85I17-W74 HydrophobicContact CG2-CZ2 4.09Å; V18-W74 HydrophobicContact CB-CH2 4.41Å; V18-W74 HydrophobicContact CB-CZ3 4.33Å; V18-W74 HydrophobicContact CG1-CZ3 4.13Å; V18-W74 HydrophobicContact CG2-CE3 4.45Å; V18-W74 HydrophobicContact CG2-CH2 4.25Å; V18-W74 HydrophobicContact CG2-CZ3 4.03Å; R56-W74 VanDerWaalsContact O-CD1 3.25Å; L57-W74 HydrophobicContact CD2-CB 4.22Å; L57-W74 HydrophobicContact CD2-CD2 3.63Å; L57-W74 HydrophobicContact CD2-CE3 4.16Å; L57-W74 HydrophobicContact CD2-CG 3.66Å; L57-W74 HydrophobicContact CD2-CZ2 4.47Å; V68-W74 HydrophobicContact CG1-CZ2 4.47Å; A69-W74 PolarHBondContact O-NE1 3.23Å; R71-W74 HydrophobicContact CB-CD2 4.46Å; R71-W74 HydrophobicContact CG-CD2 4.39Å; R71-W74 HydrophobicContact CG-CE3 4.33Å; R71-W74 HydrophobicContact CG-CH2 3.71Å; R71-W74 HydrophobicContact CG-CZ2 3.75Å; R71-W74 HydrophobicContact CG-CZ3 4Å; R71-W74 PolarHBondContact O-N 3.34Å; W74-Y76 HydrophobicContact CB-CD2 4.48Å; W74-Y76 HydrophobicContact CB-CE2 3.99Å; W74-Y76 HydrophobicContact CE3-CE1 4.42Å; W74-Y76 WeakPolarHBondContact O-CD2 3.42Å; W74-Y76 PolarHBondContact O-N 2.97Å; W74-Y76 VanDerWaalsContact O-N 3.07Å; W74-V81 HydrophobicContact CB-CG1 4.36Å; W74-V85 HydrophobicContact CE3-CG2 4.21Å; W74-V85 HydrophobicContact CZ3-CG2 4.15Å
75N93.3Very high91.9Very high41 Ų4140.8 Ų40.822%0.21921%0.211CC..  trans-81.885.1179-172.412.1000110.6K55 R56 L77 D78 V81K55-N75 WeakPolarHBondContact O-CB 3.37Å; K55-N75 PolarHBondContact O-N 2.8Å; K55-N75 VanDerWaalsContact O-N 3.13Å; R56-N75 HydrophobicContact CG-CB 4.4Å; N75-L77 PolarHBondContact O-N 3.47Å; N75-L77 VanDerWaalsContact O-N 3.13Å; N75-L77 PolarHBondContact OD1-N 3.23Å; N75-D78 HydrophobicContact CB-CB 4.19Å; N75-D78 WeakPolarHBondContact O-CB 3.4Å; N75-D78 PolarHBondContact O-N 3.45Å; N75-V81 WeakPolarHBondContact O-CB 3.35Å
76Y89.1Confident91.4Very high64 Ų6439.5 Ų39.525%0.25120%0.197SC..THydrogen-bonded Turntrans-68.5-4.4177-65.6-79.2000114.4R71 W74 L82 V85 L94R71-Y76 VanDerWaalsContact O-CE2 3.24Å; R71-Y76 WeakPolarHBondContact O-CE2 3.28Å; R71-Y76 PolarHBondContact O-OH 3.01Å; W74-Y76 HydrophobicContact CB-CD2 4.48Å; W74-Y76 HydrophobicContact CB-CE2 3.99Å; W74-Y76 HydrophobicContact CE3-CE1 4.42Å; W74-Y76 WeakPolarHBondContact O-CD2 3.42Å; W74-Y76 PolarHBondContact O-N 2.97Å; W74-Y76 VanDerWaalsContact O-N 3.07Å; Y76-L82 HydrophobicContact CD1-CD1 4.26Å; Y76-V85 HydrophobicContact CE1-CG2 4.06Å; Y76-L94 HydrophobicContact CD1-CD1 3.89Å; Y76-L94 HydrophobicContact CD1-CD2 4.24Å; Y76-L94 HydrophobicContact CE1-CD1 4.13Å; Y76-L94 HydrophobicContact CE1-CD2 4.15Å; Y76-L94 HydrophobicContact CG-CD1 4.41Å
77L87.2Confident90.7Very high89 Ų8943.3 Ų43.347%0.46621%0.213SC..THydrogen-bonded Turntrans-91.2-4.5170.8-55179.6000112.3N75 A168 S171 L172N75-L77 PolarHBondContact O-N 3.47Å; N75-L77 VanDerWaalsContact O-N 3.13Å; N75-L77 PolarHBondContact OD1-N 3.23Å; L77-A168 HydrophobicContact CB-CB 4.03Å; L77-A168 HydrophobicContact CD1-CB 4.14Å; L77-A168 HydrophobicContact CD2-CB 4.23Å; L77-A168 HydrophobicContact CG-CB 4.36Å; L77-S171 WeakPolarHBondContact O-CB 2.95Å; L77-S171 PolarHBondContact O-OG 2.98Å; L77-L172 HydrophobicContact CD2-CD1 4.25Å
78D90.1Very high89.7Confident35 Ų3545.9 Ų45.919%0.18723%0.228CC..SBendtrans-84.5125.9169.9-179.4-82.2000109.5K55 N75 D80 V81 L82K55-D78 IonicContact NZ-OD1 3.44Å; K55-D78 PolarHBondContact NZ-OD1 2.89Å; K55-D78 IonicContact NZ-OD2 2.66Å; K55-D78 PolarHBondContact NZ-OD2 2.98Å; N75-D78 HydrophobicContact CB-CB 4.19Å; N75-D78 WeakPolarHBondContact O-CB 3.4Å; N75-D78 PolarHBondContact O-N 3.45Å; D78-D80 VanDerWaalsContact C-N 3.31Å; D78-D80 PolarHBondContact O-N 3.27Å; D78-D80 WeakPolarHBondContact OD1-CB 3.12Å; D78-D80 PolarHBondContact OD1-N 3.41Å; D78-V81 HydrophobicContact CB-CB 4.21Å; D78-V81 HydrophobicContact CB-CG2 3.98Å; D78-V81 PolarHBondContact O-N 2.8Å; D78-V81 PolarHBondContact OD1-N 3.03Å; D78-V81 VanDerWaalsContact OD1-N 3.11Å; D78-L82 PolarHBondContact O-N 3.31Å
79T85.2Confident88.1Confident39 Ų3950.6 Ų50.624%0.23925%0.254CS..Hα-helixtrans-53.9-46.3-177.7-520000112.4L82 Q83 S171T79-L82 PolarHBondContact O-N 3.04Å; T79-Q83 HydrophobicContact CG2-CG 4.34Å; T79-Q83 WeakPolarHBondContact O-CB 3.32Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 2.99Å; T79-S171 WeakPolarHBondContact OG1-CB 3.13Å; T79-S171 PolarHBondContact OG1-OG 3.31Å
80D90Very high86.6Confident58 Ų5852.5 Ų52.531%0.3126%0.26SS..Hα-helixtrans-67-45.1-174.9-61.7-35.5000110.6K55 D78 L82 Q83 W84K55-D80 VanDerWaalsContact CE-OD2 3.29Å; K55-D80 WeakPolarHBondContact CE-OD2 3.39Å; K55-D80 IonicContact NZ-OD2 2.75Å; K55-D80 PolarHBondContact NZ-OD2 2.94Å; D78-D80 VanDerWaalsContact C-N 3.31Å; D78-D80 PolarHBondContact O-N 3.27Å; D78-D80 WeakPolarHBondContact OD1-CB 3.12Å; D78-D80 PolarHBondContact OD1-N 3.41Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 PolarHBondContact O-N 3.04Å; D80-Q83 PolarHBondContact O-N 3.16Å; D80-W84 HydrophobicContact CB-CD2 4.34Å; D80-W84 HydrophobicContact CB-CH2 3.81Å; D80-W84 HydrophobicContact CB-CZ2 3.5Å; D80-W84 HydrophobicContact CB-CZ3 4.32Å; D80-W84 WeakPolarHBondContact O-CB 3.42Å; D80-W84 VanDerWaalsContact O-CD1 3.24Å; D80-W84 PolarHBondContact O-N 3.38Å
81V91.9Very high85.6Confident0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-56.9-48.5177174.60000110K55 L57 W74 N75 D78 W84 V85K55-V81 HydrophobicContact CB-CG2 3.69Å; K55-V81 HydrophobicContact CD-CG2 4.11Å; K55-V81 HydrophobicContact CG-CG2 4.1Å; L57-V81 HydrophobicContact CD1-CG2 4.3Å; L57-V81 HydrophobicContact CD2-CG1 4.21Å; L57-V81 HydrophobicContact CD2-CG2 4.28Å; L57-V81 HydrophobicContact CG-CG2 4.21Å; W74-V81 HydrophobicContact CB-CG1 4.36Å; N75-V81 WeakPolarHBondContact O-CB 3.35Å; D78-V81 HydrophobicContact CB-CB 4.21Å; D78-V81 HydrophobicContact CB-CG2 3.98Å; D78-V81 PolarHBondContact O-N 2.8Å; D78-V81 PolarHBondContact OD1-N 3.03Å; D78-V81 VanDerWaalsContact OD1-N 3.11Å; V81-W84 PolarHBondContact O-N 3.08Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CG2 3.37Å; V81-V85 PolarHBondContact O-N 3.37Å
82L87.2Confident84.7Confident0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-65.9-43.4-176.8-167.464.6000112.2Y76 D78 T79 D80 V85 L86 L94 M98 L172 A175Y76-L82 HydrophobicContact CD1-CD1 4.26Å; D78-L82 PolarHBondContact O-N 3.31Å; T79-L82 PolarHBondContact O-N 3.04Å; D80-L82 VanDerWaalsContact C-N 3.3Å; D80-L82 PolarHBondContact O-N 3.04Å; L82-V85 PolarHBondContact O-N 3.31Å; L82-L86 HydrophobicContact CG-CD1 4.21Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.34Å; L82-L94 HydrophobicContact CD1-CD2 4.18Å; L82-M98 HydrophobicContact CD1-CE 4.4Å; L82-M98 HydrophobicContact CD1-SD 3.87Å; L82-M98 HydrophobicContact CD2-CE 3.83Å; L82-M98 HydrophobicContact CD2-SD 4.36Å; L82-M98 HydrophobicContact CG-CE 4.43Å; L82-M98 HydrophobicContact CG-SD 4.47Å; L82-L172 HydrophobicContact CD2-CD2 3.75Å; L82-L172 HydrophobicContact CD2-CG 4.43Å; L82-A175 HydrophobicContact CB-CB 4.37Å; L82-A175 HydrophobicContact CD2-CB 3.44Å; L82-A175 VanDerWaalsContact CD2-CB 3.44Å; L82-A175 HydrophobicContact CG-CB 3.71Å
83Q86Confident84.3Confident34 Ų3452.7 Ų52.716%0.15926%0.259CS..Hα-helixtrans-58.8-48.7173.6-78.4176.5-19.700111.4T79 D80 V85 L86 E87 E178T79-Q83 HydrophobicContact CG2-CG 4.34Å; T79-Q83 WeakPolarHBondContact O-CB 3.32Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 2.99Å; D80-Q83 PolarHBondContact O-N 3.16Å; Q83-V85 VanDerWaalsContact C-N 3.28Å; Q83-V85 PolarHBondContact O-N 3.09Å; Q83-L86 PolarHBondContact O-N 2.7Å; Q83-E87 VanDerWaalsContact O-CG 3.32Å; Q83-E87 WeakPolarHBondContact O-CG 3.34Å; Q83-E87 PolarHBondContact O-N 3.11Å; Q83-E178 PolarHBondContact NE2-OE1 3.06Å; Q83-E178 PolarHBondContact NE2-OE2 3.32Å
84W90.3Very high83.7Confident5 Ų549.2 Ų49.22%0.01924%0.243CC..Hα-helixtrans-63-35.1-179.5-58.7-16.4000112.5V10 I11 G14 K15 V18 H19 K55 L57 D80 V81V10-W84 HydrophobicContact CG1-CH2 4.02Å; I11-W84 HydrophobicContact CB-CZ2 4.27Å; I11-W84 HydrophobicContact CG1-CZ2 4.06Å; G14-W84 VanDerWaalsContact CA-CZ3 3.49Å; K15-W84 HydrophobicContact CG-CB 4.1Å; K15-W84 HydrophobicContact CG-CD2 4.14Å; K15-W84 HydrophobicContact CG-CG 3.64Å; V18-W84 HydrophobicContact CB-CB 4.25Å; V18-W84 HydrophobicContact CG1-CB 4.2Å; V18-W84 HydrophobicContact CG2-CB 4.26Å; V18-W84 HydrophobicContact CG2-CE3 4.34Å; H19-W84 PolarHBondContact CD2-O 3.48Å; H19-W84 PolarHBondContact NE2-O 3.35Å; K55-W84 HydrophobicContact CD-CH2 3.96Å; K55-W84 HydrophobicContact CD-CZ3 4.02Å; L57-W84 HydrophobicContact CD1-CE3 3.96Å; L57-W84 HydrophobicContact CD1-CZ3 3.6Å; D80-W84 HydrophobicContact CB-CD2 4.34Å; D80-W84 HydrophobicContact CB-CH2 3.81Å; D80-W84 HydrophobicContact CB-CZ2 3.5Å; D80-W84 HydrophobicContact CB-CZ3 4.32Å; D80-W84 WeakPolarHBondContact O-CB 3.42Å; D80-W84 VanDerWaalsContact O-CD1 3.24Å; D80-W84 PolarHBondContact O-N 3.38Å; V81-W84 PolarHBondContact O-N 3.08Å
85V88.2Confident83Confident17 Ų1748.8 Ų48.810%0.10324%0.242CC..Hα-helixtrans-66.8-50.1177.2174.50000110.1V18 W74 Y76 V81 L82 Q83 E87 N88 D89 L94V18-V85 VanDerWaalsContact CG1-CA 3.41Å; V18-V85 HydrophobicContact CG1-CB 3.96Å; V18-V85 HydrophobicContact CG1-CG2 3.39Å; V18-V85 HydrophobicContact CG2-CG2 4.35Å; W74-V85 HydrophobicContact CE3-CG2 4.21Å; W74-V85 HydrophobicContact CZ3-CG2 4.15Å; Y76-V85 HydrophobicContact CE1-CG2 4.06Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CG2 3.37Å; V81-V85 PolarHBondContact O-N 3.37Å; L82-V85 PolarHBondContact O-N 3.31Å; Q83-V85 VanDerWaalsContact C-N 3.28Å; Q83-V85 PolarHBondContact O-N 3.09Å; V85-E87 PolarHBondContact O-N 2.83Å; V85-N88 PolarHBondContact O-N 2.94Å; V85-D89 PolarHBondContact O-N 2.84Å; V85-L94 HydrophobicContact CB-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CD2 3.39Å
86L81.4Confident82.6Confident5 Ų549.1 Ų49.13%0.02625%0.247CC..Hα-helixtrans-71.3-16-179.1-65.9172.7000113.6L82 Q83 L94 I95 M98 A175 R179L82-L86 HydrophobicContact CG-CD1 4.21Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.34Å; Q83-L86 PolarHBondContact O-N 2.7Å; L86-L94 HydrophobicContact CD2-CD2 4.3Å; L86-I95 HydrophobicContact CD2-CG1 4.44Å; L86-M98 HydrophobicContact CD1-CE 4.46Å; L86-M98 HydrophobicContact CD1-SD 4.4Å; L86-A175 HydrophobicContact CD1-CB 3.75Å; L86-R179 PolarHBondContact O-NH2 3.41Å
87E82.6Confident82.5Confident84 Ų8448.1 Ų48.139%0.39325%0.252SS..Hα-helixtrans-71.9-33.3169.4-80.7178.6-174.500113.7K15 Q83 V85K15-E87 WeakPolarHBondContact CE-OE2 3.45Å; K15-E87 IonicContact NZ-OE1 2.7Å; K15-E87 PolarHBondContact NZ-OE1 3.1Å; K15-E87 IonicContact NZ-OE2 2.78Å; K15-E87 PolarHBondContact NZ-OE2 3.43Å; Q83-E87 VanDerWaalsContact O-CG 3.32Å; Q83-E87 WeakPolarHBondContact O-CG 3.34Å; Q83-E87 PolarHBondContact O-N 3.11Å; V85-E87 PolarHBondContact O-N 2.83Å
88N76.8Confident82.4Confident79 Ų7944.1 Ų44.142%0.42223%0.231SC..Hα-helixtrans-87.4-44.3-171.7-165.659.1000113.4H19 V85H19-N88 HydrophobicContact CB-CB 4.47Å; H19-N88 VanDerWaalsContact CB-OD1 3.26Å; H19-N88 WeakPolarHBondContact CB-OD1 3.36Å; H19-N88 WeakPolarHBondContact CD2-CB 3.38Å; H19-N88 VanDerWaalsContact CG-OD1 3.24Å; V85-N88 PolarHBondContact O-N 2.94Å
89D66.7Low82.1Confident100 Ų10042.9 Ų42.954%0.53523%0.225SC..  trans-156128.5-170.5-165.14.2000108.9V85 D91V85-D89 PolarHBondContact O-N 2.84Å; D89-D91 PolarHBondContact O-N 2.92Å
90Y66.3Low82.4Confident44 Ų4446.8 Ų46.817%0.17324%0.241CC..  trans-7768.8173.2-92.5-71.9000108.5P92 I95 R179 L225 I228 T229Y90-P92 WeakPolarHBondContact O-CD 3.36Å; Y90-P92 WeakPolarHBondContact O-CG 3.16Å; Y90-I95 HydrophobicContact CD1-CD1 3.55Å; Y90-I95 HydrophobicContact CE1-CD1 4.25Å; Y90-R179 VanDerWaalsContact OH-CD 3.32Å; Y90-R179 WeakPolarHBondContact OH-CD 3.49Å; Y90-R179 WeakPolarHBondContact OH-CG 3.3Å; Y90-L225 HydrophobicContact CE1-CD1 3.94Å; Y90-I228 HydrophobicContact CE2-CG2 3.87Å; Y90-I228 WeakPolarHBondContact OH-CG2 3.45Å; Y90-T229 HydrophobicContact CD1-CG2 3.41Å; Y90-T229 VanDerWaalsContact CD1-CG2 3.41Å; Y90-T229 HydrophobicContact CD2-CG2 4.4Å; Y90-T229 HydrophobicContact CE1-CG2 4.1Å; Y90-T229 HydrophobicContact CG-CG2 3.55Å
91D73.4Confident82.4Confident32 Ų3247.3 Ų47.317%0.17125%0.246CC..  trans-60.9106.7176.6-172.5-20.2000108.1D89 R93 L94 I95D89-D91 PolarHBondContact O-N 2.92Å; D91-R93 PolarHBondContact O-N 2.99Å; D91-R93 VanDerWaalsContact OD1-CB 3.26Å; D91-R93 WeakPolarHBondContact OD1-CB 3.41Å; D91-R93 IonicContact OD1-CZ 2.94Å; D91-R93 PolarHBondContact OD1-N 3.07Å; D91-R93 IonicContact OD1-NE 3.14Å; D91-R93 PolarHBondContact OD1-NE 3.46Å; D91-R93 IonicContact OD1-NH2 3.07Å; D91-R93 IonicContact OD2-CZ 3.7Å; D91-R93 IonicContact OD2-NE 3.46Å; D91-R93 PolarHBondContact OD2-NE 3.14Å; D91-R93 IonicContact OD2-NH2 3.78Å; D91-R93 PolarHBondContact OD2-NH2 3.43Å; D91-L94 HydrophobicContact CB-CB 4.15Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 2.9Å; D91-I95 PolarHBondContact O-N 3.46Å
92P73.5Confident82.4Confident88 Ų8847.7 Ų47.757%0.57125%0.248SC*.Hα-helixtrans-64.2-22.2-172.8-21.835.9000111.5Y90 S96Y90-P92 WeakPolarHBondContact O-CD 3.36Å; Y90-P92 WeakPolarHBondContact O-CG 3.16Å; P92-S96 WeakPolarHBondContact O-CB 3.47Å; P92-S96 PolarHBondContact O-N 3.14Å
93R82.1Confident82.7Confident184 Ų18451.1 Ų51.169%0.69427%0.266SS*.Hα-helixtrans-71.5-37.4176-57.1170.8-63.7179.32.8111.3D91 S96 A97D91-R93 PolarHBondContact O-N 2.99Å; D91-R93 VanDerWaalsContact OD1-CB 3.26Å; D91-R93 WeakPolarHBondContact OD1-CB 3.41Å; D91-R93 IonicContact OD1-CZ 2.94Å; D91-R93 PolarHBondContact OD1-N 3.07Å; D91-R93 IonicContact OD1-NE 3.14Å; D91-R93 PolarHBondContact OD1-NE 3.46Å; D91-R93 IonicContact OD1-NH2 3.07Å; D91-R93 IonicContact OD2-CZ 3.7Å; D91-R93 IonicContact OD2-NE 3.46Å; D91-R93 PolarHBondContact OD2-NE 3.14Å; D91-R93 IonicContact OD2-NH2 3.78Å; D91-R93 PolarHBondContact OD2-NH2 3.43Å; R93-S96 PolarHBondContact O-N 2.87Å; R93-A97 VanDerWaalsContact O-CB 3.31Å; R93-A97 WeakPolarHBondContact O-CB 3.47Å; R93-A97 PolarHBondContact O-N 3.4Å
94L82.3Confident83.1Confident24 Ų2456 Ų5613%0.12629%0.292CS..Hα-helixtrans-67.6-45.4175.3-178.660.5000110.1Y76 L82 V85 L86 D91 S96 A97 M98Y76-L94 HydrophobicContact CD1-CD1 3.89Å; Y76-L94 HydrophobicContact CD1-CD2 4.24Å; Y76-L94 HydrophobicContact CE1-CD1 4.13Å; Y76-L94 HydrophobicContact CE1-CD2 4.15Å; Y76-L94 HydrophobicContact CG-CD1 4.41Å; L82-L94 HydrophobicContact CD1-CD2 4.18Å; V85-L94 HydrophobicContact CB-CD2 4.25Å; V85-L94 HydrophobicContact CG1-CD2 3.39Å; L86-L94 HydrophobicContact CD2-CD2 4.3Å; D91-L94 HydrophobicContact CB-CB 4.15Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 2.9Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.44Å; L94-A97 PolarHBondContact O-N 3.19Å; L94-M98 HydrophobicContact CD1-CG 4.36Å; L94-M98 HydrophobicContact CG-CG 4.46Å; L94-M98 HydrophobicContact CG-SD 4.14Å; L94-M98 VanDerWaalsContact O-CG 3.24Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 3.41Å
95I79.3Confident83.2Confident3 Ų357.8 Ų57.82%0.01530%0.303CS..Hα-helixtrans-57.6-45.3174.5-67.5168.8000111.3L86 Y90 D91 M98 S99 L225 T229L86-I95 HydrophobicContact CD2-CG1 4.44Å; Y90-I95 HydrophobicContact CD1-CD1 3.55Å; Y90-I95 HydrophobicContact CE1-CD1 4.25Å; D91-I95 PolarHBondContact O-N 3.46Å; I95-M98 PolarHBondContact O-N 2.97Å; I95-S99 WeakPolarHBondContact O-CB 3.42Å; I95-S99 PolarHBondContact O-N 3.08Å; I95-S99 PolarHBondContact O-OG 2.85Å; I95-L225 HydrophobicContact CB-CD2 4.26Å; I95-L225 HydrophobicContact CD1-CD2 4.45Å; I95-L225 HydrophobicContact CD1-CG 4.08Å; I95-L225 HydrophobicContact CG1-CD2 4.01Å; I95-L225 HydrophobicContact CG1-CG 4.19Å; I95-L225 HydrophobicContact CG2-CB 4.47Å; I95-L225 HydrophobicContact CG2-CD2 3.47Å; I95-L225 VanDerWaalsContact CG2-CD2 3.47Å; I95-L225 HydrophobicContact CG2-CG 3.85Å; I95-T229 HydrophobicContact CD1-CG2 3.56Å
96S84.5Confident83.6Confident48 Ų4857.8 Ų57.834%0.33630%0.302SS..Hα-helixtrans-59.6-50.3176.1-1650000110.9P92 R93 L94 M98 S99 E100P92-S96 WeakPolarHBondContact O-CB 3.47Å; P92-S96 PolarHBondContact O-N 3.14Å; R93-S96 PolarHBondContact O-N 2.87Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 3.44Å; S96-M98 VanDerWaalsContact C-N 3.32Å; S96-M98 PolarHBondContact O-N 2.86Å; S96-S99 CarbonylContact O-C 3.47Å; S96-S99 WeakPolarHBondContact O-CB 3.4Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 VanDerWaalsContact O-N 3.09Å; S96-E100 VanDerWaalsContact O-CG 3.31Å; S96-E100 WeakPolarHBondContact O-CG 3.44Å; S96-E100 PolarHBondContact O-N 2.85Å; S96-E100 PolarHBondContact OG-OE1 3.4Å
97A87.7Confident84.3Confident42 Ų4257.9 Ų57.935%0.34730%0.304SS..Hα-helixtrans-59.8-40.9179.500000112.2R93 L94 E100 V101R93-A97 VanDerWaalsContact O-CB 3.31Å; R93-A97 WeakPolarHBondContact O-CB 3.47Å; R93-A97 PolarHBondContact O-N 3.4Å; L94-A97 PolarHBondContact O-N 3.19Å; A97-E100 PolarHBondContact O-N 3.28Å; A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.14Å; A97-V101 VanDerWaalsContact O-N 3.1Å
98M84.1Confident85.1Confident5 Ų555.7 Ų55.73%0.02530%0.3CS..Hα-helixtrans-62.8-45.5174.3-68.3173.461.700111.2L82 L86 L94 I95 S96 E100 V101 R102 L172 A175 V176L82-M98 HydrophobicContact CD1-CE 4.4Å; L82-M98 HydrophobicContact CD1-SD 3.87Å; L82-M98 HydrophobicContact CD2-CE 3.83Å; L82-M98 HydrophobicContact CD2-SD 4.36Å; L82-M98 HydrophobicContact CG-CE 4.43Å; L82-M98 HydrophobicContact CG-SD 4.47Å; L86-M98 HydrophobicContact CD1-CE 4.46Å; L86-M98 HydrophobicContact CD1-SD 4.4Å; L94-M98 HydrophobicContact CD1-CG 4.36Å; L94-M98 HydrophobicContact CG-CG 4.46Å; L94-M98 HydrophobicContact CG-SD 4.14Å; L94-M98 VanDerWaalsContact O-CG 3.24Å; L94-M98 WeakPolarHBondContact O-CG 3.31Å; L94-M98 PolarHBondContact O-N 3.41Å; I95-M98 PolarHBondContact O-N 2.97Å; S96-M98 VanDerWaalsContact C-N 3.32Å; S96-M98 PolarHBondContact O-N 2.86Å; M98-E100 VanDerWaalsContact C-N 3.32Å; M98-E100 PolarHBondContact O-N 2.99Å; M98-V101 PolarHBondContact O-N 3.11Å; M98-R102 WeakPolarHBondContact O-CG 3.39Å; M98-R102 PolarHBondContact O-N 3.35Å; M98-L172 HydrophobicContact CB-CD2 4.43Å; M98-L172 HydrophobicContact CE-CB 4.48Å; M98-L172 HydrophobicContact CE-CD2 3.9Å; M98-L172 HydrophobicContact CG-CD2 3.83Å; M98-L172 HydrophobicContact SD-CD2 4.45Å; M98-A175 HydrophobicContact CE-CB 4.49Å; M98-V176 HydrophobicContact CE-CG2 3.55Å
99S85.1Confident86.1Confident10 Ų1052.5 Ų52.57%0.0728%0.282CS..Hα-helixtrans-63.8-37.9178.9-53.90000111.6I95 S96 R102 N103I95-S99 WeakPolarHBondContact O-CB 3.42Å; I95-S99 PolarHBondContact O-N 3.08Å; I95-S99 PolarHBondContact O-OG 2.85Å; S96-S99 CarbonylContact O-C 3.47Å; S96-S99 WeakPolarHBondContact O-CB 3.4Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S99 VanDerWaalsContact O-N 3.09Å; S99-R102 PolarHBondContact O-N 3.41Å; S99-N103 PolarHBondContact O-N 3.2Å; S99-N103 PolarHBondContact O-ND2 2.6Å
100E91.1Very high87.6Confident120 Ų12047.8 Ų47.856%0.56126%0.258SS*.Hα-helixtrans-62.3-45175.4-74.5163-154.900111.6S96 A97 M98 R102 N103 L104S96-E100 VanDerWaalsContact O-CG 3.31Å; S96-E100 WeakPolarHBondContact O-CG 3.44Å; S96-E100 PolarHBondContact O-N 2.85Å; S96-E100 PolarHBondContact OG-OE1 3.4Å; A97-E100 PolarHBondContact O-N 3.28Å; M98-E100 VanDerWaalsContact C-N 3.32Å; M98-E100 PolarHBondContact O-N 2.99Å; E100-R102 PolarHBondContact O-N 3.49Å; E100-N103 PolarHBondContact O-N 3.34Å; E100-L104 WeakPolarHBondContact O-CB 3.4Å; E100-L104 PolarHBondContact O-N 3.49Å
101V90.8Very high89.1Confident70 Ų7049.3 Ų49.342%0.42426%0.263SS..Hα-helixtrans-63.8-41.1176.6173.30000111.4A97 M98 L104 V105 L172A97-V101 WeakPolarHBondContact O-CG2 3.38Å; A97-V101 PolarHBondContact O-N 3.14Å; A97-V101 VanDerWaalsContact O-N 3.1Å; M98-V101 PolarHBondContact O-N 3.11Å; V101-L104 WeakPolarHBondContact O-CB 3.21Å; V101-L104 PolarHBondContact O-N 3.04Å; V101-V105 PolarHBondContact O-N 3.36Å; V101-L172 HydrophobicContact CG1-CD1 4.3Å
102R91.2Very high90.3Very high8 Ų851.8 Ų51.83%0.0327%0.27CS..Hα-helixtrans-63.2-47.6176.9-67.4-178.268.3-153.1-7.3111.6M98 S99 E100 L104 V105 E106 P107 I218 S221M98-R102 WeakPolarHBondContact O-CG 3.39Å; M98-R102 PolarHBondContact O-N 3.35Å; S99-R102 PolarHBondContact O-N 3.41Å; E100-R102 PolarHBondContact O-N 3.49Å; R102-L104 PolarHBondContact O-N 3.26Å; R102-V105 PolarHBondContact O-N 3.07Å; R102-E106 HydrophobicContact CB-CG 4.32Å; R102-E106 VanDerWaalsContact CG-OE1 3.3Å; R102-E106 WeakPolarHBondContact CG-OE1 3.47Å; R102-E106 IonicContact CZ-OE1 3.44Å; R102-E106 IonicContact CZ-OE2 2.78Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.5Å; R102-E106 IonicContact NE-OE2 3.41Å; R102-E106 PolarHBondContact NE-OE2 2.95Å; R102-E106 IonicContact NH2-OE1 2.95Å; R102-E106 IonicContact NH2-OE2 3.61Å; R102-E106 PolarHBondContact NH2-OE2 3.05Å; R102-E106 WeakPolarHBondContact O-CB 3.49Å; R102-E106 PolarHBondContact O-N 3.16Å; R102-P107 WeakPolarHBondContact O-CD 3.41Å; R102-I218 HydrophobicContact CB-CD1 4.32Å; R102-I218 HydrophobicContact CB-CG1 4.43Å; R102-I218 HydrophobicContact CB-CG2 4.43Å; R102-S221 PolarHBondContact NH1-OG 3.18Å
103N93.2Very high91.5Very high71 Ų7147.6 Ų47.638%0.3824%0.243SC..Hα-helixtrans-61.4-29.5175.6-80.2-72.6000113.1S99 E100 P107 I218S99-N103 PolarHBondContact O-N 3.2Å; S99-N103 PolarHBondContact O-ND2 2.6Å; E100-N103 PolarHBondContact O-N 3.34Å; N103-P107 WeakPolarHBondContact O-CD 3.35Å; N103-P107 WeakPolarHBondContact O-CG 3.42Å; N103-I218 VanDerWaalsContact ND2-CG2 3.32Å; N103-I218 WeakPolarHBondContact ND2-CG2 3.33Å
104L94.1Very high92.3Very high137 Ų13738.9 Ų38.972%0.71721%0.211SC*.Hα-helixtrans-71.8-34.8177.6179.464.9000112.6E100 V101 R102E100-L104 WeakPolarHBondContact O-CB 3.4Å; E100-L104 PolarHBondContact O-N 3.49Å; V101-L104 WeakPolarHBondContact O-CB 3.21Å; V101-L104 PolarHBondContact O-N 3.04Å; R102-L104 PolarHBondContact O-N 3.26Å
105V93.5Very high93.1Very high42 Ų4242.4 Ų42.426%0.25523%0.226SC..Hα-helixtrans-115-43.7-164.4-178.90000113.2V101 R102 A108 I109 L162 I169V101-V105 PolarHBondContact O-N 3.36Å; R102-V105 PolarHBondContact O-N 3.07Å; V105-A108 PolarHBondContact O-N 3.39Å; V105-I109 HydrophobicContact CG1-CD1 3.49Å; V105-I109 VanDerWaalsContact CG1-CD1 3.49Å; V105-I109 HydrophobicContact CG1-CG1 4.13Å; V105-I109 WeakPolarHBondContact O-CG1 3.22Å; V105-I109 PolarHBondContact O-N 2.97Å; V105-L162 HydrophobicContact CG1-CD2 4.46Å; V105-I169 HydrophobicContact CG1-CD1 4.29Å
106E95.1Very high94Very high17 Ų1747 Ų478%0.07924%0.243CC..Hα-helixtrans-65.4-39.3-172.9-60.9-178.1-174.700113.8R102 A108 I109 A110 Q173 I218R102-E106 HydrophobicContact CB-CG 4.32Å; R102-E106 VanDerWaalsContact CG-OE1 3.3Å; R102-E106 WeakPolarHBondContact CG-OE1 3.47Å; R102-E106 IonicContact CZ-OE1 3.44Å; R102-E106 IonicContact CZ-OE2 2.78Å; R102-E106 IonicContact NE-OE1 3.72Å; R102-E106 PolarHBondContact NE-OE1 3.5Å; R102-E106 IonicContact NE-OE2 3.41Å; R102-E106 PolarHBondContact NE-OE2 2.95Å; R102-E106 IonicContact NH2-OE1 2.95Å; R102-E106 IonicContact NH2-OE2 3.61Å; R102-E106 PolarHBondContact NH2-OE2 3.05Å; R102-E106 WeakPolarHBondContact O-CB 3.49Å; R102-E106 PolarHBondContact O-N 3.16Å; E106-A108 PolarHBondContact O-N 3.11Å; E106-I109 WeakPolarHBondContact O-CB 2.92Å; E106-I109 PolarHBondContact O-N 2.82Å; E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 3.41Å; E106-Q173 PolarHBondContact OE1-NE2 2.64Å; E106-I218 HydrophobicContact CB-CD1 3.87Å; E106-I218 WeakPolarHBondContact OE2-CG1 3.33Å
107P97.9Very high94.7Very high8 Ų845.6 Ų45.65%0.05224%0.235CC..Hα-helixtrans-62.5-41.5177.4-24.135.3000113R102 N103 A110 R111 E211 L215 I218R102-P107 WeakPolarHBondContact O-CD 3.41Å; N103-P107 WeakPolarHBondContact O-CD 3.35Å; N103-P107 WeakPolarHBondContact O-CG 3.42Å; P107-A110 PolarHBondContact O-N 3.35Å; P107-R111 PolarHBondContact O-N 2.83Å; P107-E211 HydrophobicContact CB-CG 3.64Å; P107-L215 HydrophobicContact CB-CD2 4.23Å; P107-L215 HydrophobicContact CB-CG 4.14Å; P107-L215 HydrophobicContact CG-CD2 3.53Å; P107-L215 HydrophobicContact CG-CG 3.88Å; P107-I218 HydrophobicContact CG-CD1 4.21Å
108A97.6Very high95.2Very high38 Ų3846.7 Ų46.731%0.31424%0.237SC..Hα-helixtrans-67-37.7175.900000112V105 E106 W112V105-A108 PolarHBondContact O-N 3.39Å; E106-A108 PolarHBondContact O-N 3.11Å; A108-W112 WeakPolarHBondContact O-CB 3.3Å; A108-W112 VanDerWaalsContact O-CG 3.26Å; A108-W112 PolarHBondContact O-N 3.46Å
109I97.9Very high95.9Very high11 Ų1151.4 Ų51.46%0.05627%0.271CS..Hα-helixtrans-60.8-47.3172.6-74.3172.5000110.6V105 E106 R111 W112 A113 V153 L154 V157 L162 I169V105-I109 HydrophobicContact CG1-CD1 3.49Å; V105-I109 VanDerWaalsContact CG1-CD1 3.49Å; V105-I109 HydrophobicContact CG1-CG1 4.13Å; V105-I109 WeakPolarHBondContact O-CG1 3.22Å; V105-I109 PolarHBondContact O-N 2.97Å; E106-I109 WeakPolarHBondContact O-CB 2.92Å; E106-I109 PolarHBondContact O-N 2.82Å; I109-R111 PolarHBondContact O-N 3.35Å; I109-W112 PolarHBondContact O-N 3.25Å; I109-A113 WeakPolarHBondContact O-CB 3.12Å; I109-A113 PolarHBondContact O-N 3.27Å; I109-V153 HydrophobicContact CG2-CG1 4.12Å; I109-L154 HydrophobicContact CD1-CD1 4.05Å; I109-L154 HydrophobicContact CD1-CG 4.25Å; I109-L154 HydrophobicContact CG2-CB 4.25Å; I109-V157 HydrophobicContact CG2-CG2 3.97Å; I109-V157 WeakPolarHBondContact O-CG2 3.48Å; I109-L162 HydrophobicContact CD1-CD2 4.49Å; I109-L162 HydrophobicContact CG1-CD1 4.18Å; I109-I169 HydrophobicContact CD1-CD1 4.18Å
110A98.6Very high96.5Very high2 Ų254.3 Ų54.32%0.01729%0.291CS..Hα-helixtrans-60.9-44.9179.800000112E106 P107 A113 A114 L198 A210 A214E106-A110 WeakPolarHBondContact O-CB 3.47Å; E106-A110 PolarHBondContact O-N 3.41Å; P107-A110 PolarHBondContact O-N 3.35Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.44Å; A110-A114 PolarHBondContact O-N 2.96Å; A110-A114 VanDerWaalsContact O-N 3.09Å; A110-L198 HydrophobicContact CB-CD1 3.71Å; A110-A210 HydrophobicContact CB-CB 4.27Å; A110-A210 WeakPolarHBondContact CB-O 3.4Å; A110-A210 WeakPolarHBondContact O-CB 3.5Å; A110-A214 HydrophobicContact CB-CB 3.7Å
111R98.8Very high96.9Very high75 Ų7549.7 Ų49.728%0.28327%0.27SS..Hα-helixtrans-57.2-52173.1-175.4-172.6-17593.113.7111.6P107 I109 A113 A114 E115 D208 E211P107-R111 PolarHBondContact O-N 2.83Å; I109-R111 PolarHBondContact O-N 3.35Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.09Å; R111-A114 WeakPolarHBondContact O-CB 3.5Å; R111-A114 PolarHBondContact O-N 3.49Å; R111-A114 VanDerWaalsContact O-N 3.16Å; R111-E115 IonicContact CZ-OE1 3.96Å; R111-E115 IonicContact NE-OE1 2.67Å; R111-E115 PolarHBondContact NE-OE1 3.19Å; R111-E115 IonicContact NH2-OE1 3.05Å; R111-E115 WeakPolarHBondContact O-CG 3.37Å; R111-E115 PolarHBondContact O-N 2.98Å; R111-E115 VanDerWaalsContact O-N 3.08Å; R111-D208 IonicContact CZ-OD1 3.62Å; R111-D208 IonicContact NH1-OD1 2.77Å; R111-D208 PolarHBondContact NH1-OD1 3.4Å; R111-D208 IonicContact NH2-OD1 3.56Å; R111-D208 PolarHBondContact NH2-OD1 2.87Å; R111-E211 HydrophobicContact CB-CB 4.38Å; R111-E211 IonicContact NH1-OE2 3.41Å; R111-E211 PolarHBondContact NH1-OE2 3.22Å
112W98.6Very high97.3Very high84 Ų8448.1 Ų48.132%0.31826%0.259SS..Hα-helixtrans-66.8-30.5-178.4-68.6-12.5000112.9A108 I109 E115 R116 V157 L162A108-W112 WeakPolarHBondContact O-CB 3.3Å; A108-W112 VanDerWaalsContact O-CG 3.26Å; A108-W112 PolarHBondContact O-N 3.46Å; I109-W112 PolarHBondContact O-N 3.25Å; W112-E115 PolarHBondContact O-N 3.39Å; W112-R116 VanDerWaalsContact O-CB 3.22Å; W112-R116 WeakPolarHBondContact O-CB 3.5Å; W112-R116 WeakPolarHBondContact O-CG 3.11Å; W112-R116 PolarHBondContact O-N 3.2Å; W112-R116 VanDerWaalsContact O-N 3.07Å; W112-V157 HydrophobicContact CB-CB 4.45Å; W112-V157 HydrophobicContact CB-CG1 3.9Å; W112-V157 HydrophobicContact CB-CG2 3.95Å; W112-V157 HydrophobicContact CD2-CG1 4.38Å; W112-V157 HydrophobicContact CE3-CG1 3.65Å; W112-L162 HydrophobicContact CE3-CD1 3.81Å; W112-L162 HydrophobicContact CZ3-CD1 3.56Å
113A98.7Very high97.6Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-61.7-46.9171.300000110.6I109 A110 R111 E115 R116 A117 V153 S156 V157 I202I109-A113 WeakPolarHBondContact O-CB 3.12Å; I109-A113 PolarHBondContact O-N 3.27Å; A110-A113 WeakPolarHBondContact O-CB 3.34Å; A110-A113 PolarHBondContact O-N 3.44Å; R111-A113 VanDerWaalsContact C-N 3.28Å; R111-A113 PolarHBondContact O-N 3.09Å; A113-E115 VanDerWaalsContact C-N 3.28Å; A113-E115 PolarHBondContact O-N 2.87Å; A113-R116 PolarHBondContact O-N 2.87Å; A113-A117 WeakPolarHBondContact O-CB 3.36Å; A113-A117 PolarHBondContact O-N 3.41Å; A113-V153 HydrophobicContact CB-CG1 3.89Å; A113-S156 WeakPolarHBondContact CA-OG 3.24Å; A113-S156 WeakPolarHBondContact CB-OG 3.37Å; A113-V157 HydrophobicContact CB-CG2 4.38Å; A113-I202 HydrophobicContact CB-CD1 3.91Å; A113-I202 HydrophobicContact CB-CG1 4.16Å; A113-I202 HydrophobicContact CB-CG2 4.42Å
114A98.8Very high97.9Very high2 Ų252.3 Ų52.32%0.01729%0.286CS..Hα-helixtrans-60.7-36.7176.100000112.8A110 R111 I202 Q205 A210A110-A114 PolarHBondContact O-N 2.96Å; A110-A114 VanDerWaalsContact O-N 3.09Å; R111-A114 WeakPolarHBondContact O-CB 3.5Å; R111-A114 PolarHBondContact O-N 3.49Å; R111-A114 VanDerWaalsContact O-N 3.16Å; A114-I202 HydrophobicContact CB-CB 4.48Å; A114-I202 HydrophobicContact CB-CG1 4.28Å; A114-Q205 WeakPolarHBondContact O-CA 3.48Å; A114-A210 HydrophobicContact CB-CB 3.88Å
115E98.6Very high98.1Very high98 Ų9845.8 Ų45.846%0.45825%0.251SS..Hα-helixtrans-76-21179.6-68169.9178.800113.7R111 W112 A113R111-E115 IonicContact CZ-OE1 3.96Å; R111-E115 IonicContact NE-OE1 2.67Å; R111-E115 PolarHBondContact NE-OE1 3.19Å; R111-E115 IonicContact NH2-OE1 3.05Å; R111-E115 WeakPolarHBondContact O-CG 3.37Å; R111-E115 PolarHBondContact O-N 2.98Å; R111-E115 VanDerWaalsContact O-N 3.08Å; W112-E115 PolarHBondContact O-N 3.39Å; A113-E115 VanDerWaalsContact C-N 3.28Å; A113-E115 PolarHBondContact O-N 2.87Å
116R98.5Very high98.3Very high99 Ų9948.1 Ų48.137%0.37426%0.259SS..Hα-helixtrans-129.5-16.6-164.7-58.6175.6-167.1174.68115.7W112 A113 T118 V157W112-R116 VanDerWaalsContact O-CB 3.22Å; W112-R116 WeakPolarHBondContact O-CB 3.5Å; W112-R116 WeakPolarHBondContact O-CG 3.11Å; W112-R116 PolarHBondContact O-N 3.2Å; W112-R116 VanDerWaalsContact O-N 3.07Å; A113-R116 PolarHBondContact O-N 2.87Å; R116-T118 PolarHBondContact O-N 3.24Å; R116-V157 WeakPolarHBondContact CD-O 3.38Å; R116-V157 PolarHBondContact NH1-O 3.18Å
117A98.6Very high98.5Very high19 Ų1949.8 Ų49.816%0.15727%0.273CS..  trans-58.4130.3-17500000111.5A113 D121 L122 I202A113-A117 WeakPolarHBondContact O-CB 3.36Å; A113-A117 PolarHBondContact O-N 3.41Å; A117-D121 HydrophobicContact CB-CB 4.19Å; A117-L122 HydrophobicContact CB-CD2 4.18Å; A117-L122 HydrophobicContact CB-CG 4.37Å; A117-I202 HydrophobicContact CB-CG2 3.88Å
118T98.7Very high98.5Very high64 Ų6449.6 Ų49.639%0.39327%0.272SS..  trans-82.7168.5170.869.60000110.5R116 S120 D121 L122R116-T118 PolarHBondContact O-N 3.24Å; T118-S120 PolarHBondContact O-N 2.97Å; T118-S120 PolarHBondContact OG1-N 3.45Å; T118-D121 WeakPolarHBondContact CB-OD2 3.4Å; T118-D121 WeakPolarHBondContact CG2-OD2 3.36Å; T118-D121 PolarHBondContact N-OD2 3.04Å; T118-D121 PolarHBondContact O-N 3.41Å; T118-D121 VanDerWaalsContact O-N 3.07Å; T118-D121 PolarHBondContact OG1-N 2.81Å; T118-D121 PolarHBondContact OG1-OD2 3.05Å; T118-L122 WeakPolarHBondContact O-CG 3.29Å; T118-L122 PolarHBondContact O-N 3.47Å
119S98.3Very high98.6Very high104 Ų10448.2 Ų48.273%0.72726%0.259SS*.Hα-helixtrans-58.4-32.8172.151.80000113.2A123S119-A123 PolarHBondContact O-N 3.06Å; S119-A123 VanDerWaalsContact O-N 3.14Å
120S98.6Very high98.6Very high71 Ų7151.8 Ų51.850%0.49728%0.279SS..Hα-helixtrans-66.7-42174.1-1770000111.4T118 A123 Q124T118-S120 PolarHBondContact O-N 2.97Å; T118-S120 PolarHBondContact OG1-N 3.45Å; S120-A123 PolarHBondContact O-N 3.4Å; S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.36Å
121D98.7Very high98.6Very high23 Ų2354.7 Ų54.712%0.12329%0.292CS..Hα-helixtrans-65.3-44.1178.7-55.8-48000110.8A117 T118 A123 Q124 I125 H158A117-D121 HydrophobicContact CB-CB 4.19Å; T118-D121 WeakPolarHBondContact CB-OD2 3.4Å; T118-D121 WeakPolarHBondContact CG2-OD2 3.36Å; T118-D121 PolarHBondContact N-OD2 3.04Å; T118-D121 PolarHBondContact O-N 3.41Å; T118-D121 VanDerWaalsContact O-N 3.07Å; T118-D121 PolarHBondContact OG1-N 2.81Å; T118-D121 PolarHBondContact OG1-OD2 3.05Å; D121-A123 VanDerWaalsContact C-N 3.28Å; D121-A123 PolarHBondContact O-N 3.27Å; D121-Q124 PolarHBondContact O-N 3.07Å; D121-Q124 VanDerWaalsContact O-N 3.08Å; D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 3.21Å; D121-H158 IonicContact OD1-CE1 3.16Å; D121-H158 IonicContact OD1-NE2 3.87Å; D121-H158 IonicContact OD2-CD2 2.63Å; D121-H158 IonicContact OD2-CE1 3.67Å; D121-H158 PolarHBondContact OD2-CE1 2.9Å; D121-H158 IonicContact OD2-NE2 3.8Å; D121-H158 PolarHBondContact OD2-NE2 3.41Å
122L98.8Very high98.5Very high38 Ų3851.1 Ų51.120%0.19928%0.279CS..Hα-helixtrans-56.6-42175.7-68.4176.8000111.9A117 T118 Q124 I125 E126 F199 I202 R203A117-L122 HydrophobicContact CB-CD2 4.18Å; A117-L122 HydrophobicContact CB-CG 4.37Å; T118-L122 WeakPolarHBondContact O-CG 3.29Å; T118-L122 PolarHBondContact O-N 3.47Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.17Å; L122-I125 PolarHBondContact O-N 2.77Å; L122-E126 VanDerWaalsContact O-CB 3.28Å; L122-E126 WeakPolarHBondContact O-CB 3.37Å; L122-E126 PolarHBondContact O-N 2.93Å; L122-F199 HydrophobicContact CD2-CE2 4.38Å; L122-I202 HydrophobicContact CD2-CG2 3.77Å; L122-R203 HydrophobicContact CD2-CB 4.25Å
123A98.7Very high98.4Very high51 Ų5151 Ų5142%0.42128%0.283SS..Hα-helixtrans-64.3-36.4177.300000112.7S119 S120 D121 S127S119-A123 PolarHBondContact O-N 3.06Å; S119-A123 VanDerWaalsContact O-N 3.14Å; S120-A123 PolarHBondContact O-N 3.4Å; D121-A123 VanDerWaalsContact C-N 3.28Å; D121-A123 PolarHBondContact O-N 3.27Å; A123-S127 WeakPolarHBondContact O-CB 3.34Å; A123-S127 PolarHBondContact O-N 3.47Å
124Q98.6Very high98.3Very high116 Ų11654.8 Ų54.854%0.54231%0.314SS..Hα-helixtrans-69.5-44.2176.4-63.8-58.3-24.500111.9S120 D121 L122 E126 S127 A128 A152S120-Q124 WeakPolarHBondContact O-CG 3.41Å; S120-Q124 PolarHBondContact O-N 3.36Å; D121-Q124 PolarHBondContact O-N 3.07Å; D121-Q124 VanDerWaalsContact O-N 3.08Å; L122-Q124 VanDerWaalsContact C-N 3.33Å; L122-Q124 PolarHBondContact O-N 3.17Å; Q124-E126 VanDerWaalsContact C-N 3.34Å; Q124-E126 PolarHBondContact O-N 2.78Å; Q124-S127 PolarHBondContact O-N 3.04Å; Q124-A128 PolarHBondContact O-N 3.42Å; Q124-A128 VanDerWaalsContact O-N 3.11Å; Q124-A152 HydrophobicContact CB-CB 4.26Å
125I98.7Very high98.1Very high0 Ų057.4 Ų57.40%033%0.328CS..Hα-helixtrans-62-44.8177-61.2165.1000110D121 L122 A128 L129 Y149 A152 V153 F199 I202D121-I125 WeakPolarHBondContact O-CG1 3.29Å; D121-I125 PolarHBondContact O-N 3.21Å; L122-I125 PolarHBondContact O-N 2.77Å; I125-A128 PolarHBondContact O-N 3Å; I125-L129 PolarHBondContact O-N 3.37Å; I125-Y149 HydrophobicContact CG2-CD2 3.79Å; I125-Y149 HydrophobicContact CG2-CE2 3.36Å; I125-A152 HydrophobicContact CG1-CB 3.72Å; I125-V153 HydrophobicContact CD1-CG2 4.03Å; I125-V153 HydrophobicContact CG1-CG2 4.11Å; I125-V153 HydrophobicContact CG2-CG2 4.04Å; I125-F199 HydrophobicContact CB-CD2 4.21Å; I125-F199 HydrophobicContact CB-CE2 4.48Å; I125-F199 HydrophobicContact CG2-CB 4.5Å; I125-F199 HydrophobicContact CG2-CD2 3.65Å; I125-F199 HydrophobicContact CG2-CE2 4.39Å; I125-F199 HydrophobicContact CG2-CG 4.47Å; I125-I202 HydrophobicContact CD1-CG2 4.39Å
126E98.7Very high97.8Very high90 Ų9054.8 Ų54.842%0.42132%0.318SS..Hα-helixtrans-64.6-40.5178.1-171.9171.1-139.700112.3L122 Q124 A128 L129 N130 F199L122-E126 VanDerWaalsContact O-CB 3.28Å; L122-E126 WeakPolarHBondContact O-CB 3.37Å; L122-E126 PolarHBondContact O-N 2.93Å; Q124-E126 VanDerWaalsContact C-N 3.34Å; Q124-E126 PolarHBondContact O-N 2.78Å; E126-A128 PolarHBondContact O-N 2.93Å; E126-L129 PolarHBondContact O-N 3.24Å; E126-N130 WeakPolarHBondContact O-CB 3.45Å; E126-N130 VanDerWaalsContact O-CG 3.27Å; E126-N130 PolarHBondContact O-N 2.65Å; E126-N130 PolarHBondContact O-ND2 3.31Å; E126-N130 VanDerWaalsContact O-ND2 3.16Å; E126-F199 HydrophobicContact CB-CE1 4.38Å; E126-F199 HydrophobicContact CB-CE2 3.83Å; E126-F199 HydrophobicContact CB-CZ 3.63Å; E126-F199 HydrophobicContact CG-CE1 4.22Å; E126-F199 HydrophobicContact CG-CZ 3.88Å
127S98.7Very high97.4Very high52 Ų5256.8 Ų56.836%0.36433%0.331SS..Hα-helixtrans-59-48.3175.8-168.70000111.3A123 Q124 L129 N130 E131A123-S127 WeakPolarHBondContact O-CB 3.34Å; A123-S127 PolarHBondContact O-N 3.47Å; Q124-S127 PolarHBondContact O-N 3.04Å; S127-L129 PolarHBondContact O-N 2.77Å; S127-N130 PolarHBondContact O-N 3.41Å; S127-E131 WeakPolarHBondContact O-CG 3.13Å; S127-E131 PolarHBondContact O-N 2.8Å
128A98.5Very high97.1Very high5 Ų559.8 Ų59.84%0.04134%0.344CS..Hα-helixtrans-63.4-41.2177.900000112.1Q124 I125 E126 N130 E131 M132 R148 Y149Q124-A128 PolarHBondContact O-N 3.42Å; Q124-A128 VanDerWaalsContact O-N 3.11Å; I125-A128 PolarHBondContact O-N 3Å; E126-A128 PolarHBondContact O-N 2.93Å; A128-N130 VanDerWaalsContact C-N 3.35Å; A128-N130 PolarHBondContact O-N 2.68Å; A128-E131 WeakPolarHBondContact O-CB 3.41Å; A128-E131 PolarHBondContact O-N 3.33Å; A128-M132 WeakPolarHBondContact O-CG 3.24Å; A128-M132 PolarHBondContact O-N 3.33Å; A128-R148 HydrophobicContact CB-CB 4.14Å; A128-Y149 HydrophobicContact CB-CD2 4.5Å
129L98.6Very high96.7Very high8 Ų862.2 Ų62.24%0.04235%0.346CS..Hα-helixtrans-60.1-43.7174.5178.859.9000112I125 E126 S127 E131 M132 I133 Y149 H195 K196 F199I125-L129 PolarHBondContact O-N 3.37Å; E126-L129 PolarHBondContact O-N 3.24Å; S127-L129 PolarHBondContact O-N 2.77Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 2.89Å; L129-M132 WeakPolarHBondContact O-CB 3.26Å; L129-M132 PolarHBondContact O-N 3.02Å; L129-I133 HydrophobicContact CD1-CD1 4.49Å; L129-I133 HydrophobicContact CG-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CG1 3.5Å; L129-I133 PolarHBondContact O-N 2.99Å; L129-Y149 HydrophobicContact CB-CD2 3.96Å; L129-Y149 HydrophobicContact CB-CE2 4.01Å; L129-Y149 HydrophobicContact CD1-CE2 4.48Å; L129-H195 HydrophobicContact CD1-CB 3.8Å; L129-K196 HydrophobicContact CD2-CB 4.45Å; L129-F199 HydrophobicContact CD2-CB 4.04Å; L129-F199 HydrophobicContact CD2-CD1 4.01Å; L129-F199 HydrophobicContact CD2-CG 4.16Å
130N98.5Very high96.4Very high87 Ų8764.4 Ų64.447%0.46535%0.345SS..Hα-helixtrans-65.3-36.6177.6-72.6-33.1000111.9E126 S127 A128 I133 A134E126-N130 WeakPolarHBondContact O-CB 3.45Å; E126-N130 VanDerWaalsContact O-CG 3.27Å; E126-N130 PolarHBondContact O-N 2.65Å; E126-N130 PolarHBondContact O-ND2 3.31Å; E126-N130 VanDerWaalsContact O-ND2 3.16Å; S127-N130 PolarHBondContact O-N 3.41Å; A128-N130 VanDerWaalsContact C-N 3.35Å; A128-N130 PolarHBondContact O-N 2.68Å; N130-I133 PolarHBondContact O-N 3.45Å; N130-A134 WeakPolarHBondContact O-CB 3.37Å; N130-A134 PolarHBondContact O-N 3.25Å
131E98.4Very high96.2Very high63 Ų6362.2 Ų62.229%0.29433%0.332SS..Hα-helixtrans-64.2-40172.6-72.7171.4-158.700112S127 A128 L129 A134 N135 A145 R148S127-E131 WeakPolarHBondContact O-CG 3.13Å; S127-E131 PolarHBondContact O-N 2.8Å; A128-E131 WeakPolarHBondContact O-CB 3.41Å; A128-E131 PolarHBondContact O-N 3.33Å; L129-E131 VanDerWaalsContact C-N 3.32Å; L129-E131 PolarHBondContact O-N 2.89Å; E131-A134 PolarHBondContact O-N 2.89Å; E131-N135 WeakPolarHBondContact O-CB 3.45Å; E131-N135 PolarHBondContact O-N 2.89Å; E131-N135 PolarHBondContact O-ND2 3.49Å; E131-A145 HydrophobicContact CB-CB 3.74Å; E131-R148 IonicContact OE2-CZ 3.53Å; E131-R148 VanDerWaalsContact OE2-CZ 3.3Å; E131-R148 IonicContact OE2-NE 2.65Å; E131-R148 PolarHBondContact OE2-NE 2.97Å; E131-R148 VanDerWaalsContact OE2-NE 3.16Å; E131-R148 IonicContact OE2-NH2 3.74Å; E131-R148 PolarHBondContact OE2-NH2 3.43Å
132M97.1Very high96Very high0 Ų061.3 Ų61.30%033%0.326CS..Hα-helixtrans-60.9-44.7173.3-65.5171.872.300111.4A128 L129 A134 N135 N136 F142 A145 D146 Y149 L192A128-M132 WeakPolarHBondContact O-CG 3.24Å; A128-M132 PolarHBondContact O-N 3.33Å; L129-M132 WeakPolarHBondContact O-CB 3.26Å; L129-M132 PolarHBondContact O-N 3.02Å; M132-A134 PolarHBondContact O-N 2.99Å; M132-N135 CarbonylContact O-C 3.6Å; M132-N135 PolarHBondContact O-N 3.49Å; M132-N136 PolarHBondContact O-N 3.18Å; M132-N136 VanDerWaalsContact O-N 3.11Å; M132-F142 HydrophobicContact CB-CD2 4.02Å; M132-F142 HydrophobicContact CB-CE2 3.79Å; M132-F142 HydrophobicContact CB-CZ 4.49Å; M132-F142 HydrophobicContact CE-CE1 3.88Å; M132-F142 HydrophobicContact CE-CE2 3.82Å; M132-F142 HydrophobicContact CE-CZ 3.35Å; M132-F142 HydrophobicContact CG-CE2 4.38Å; M132-F142 WeakPolarHBondContact O-CD2 3.48Å; M132-A145 HydrophobicContact CB-CB 4.4Å; M132-A145 HydrophobicContact CG-CB 3.56Å; M132-D146 HydrophobicContact CE-CB 3.69Å; M132-D146 HydrophobicContact CG-CB 4.47Å; M132-D146 HydrophobicContact SD-CB 4.16Å; M132-Y149 HydrophobicContact SD-CG 4.27Å; M132-L192 HydrophobicContact CB-CD2 4.06Å
133I96.5Very high95.7Very high81 Ų8160.1 Ų60.142%0.41532%0.32SS..Hα-helixtrans-61.7-46.1178-66.7165.5000110.5L129 N130 N135 N136 L192L129-I133 HydrophobicContact CD1-CD1 4.49Å; L129-I133 HydrophobicContact CG-CD1 4.22Å; L129-I133 WeakPolarHBondContact O-CG1 3.5Å; L129-I133 PolarHBondContact O-N 2.99Å; N130-I133 PolarHBondContact O-N 3.45Å; I133-N135 VanDerWaalsContact C-N 3.31Å; I133-N135 PolarHBondContact O-N 3.33Å; I133-N136 PolarHBondContact O-ND2 3.08Å; I133-L192 HydrophobicContact CG1-CD1 4.39Å; I133-L192 HydrophobicContact CG1-CD2 3.86Å
134A96.7Very high95.5Very high79 Ų7960.3 Ų60.365%0.65331%0.312SS*.Hα-helixtrans-66.9-31.4-178.500000113.1N130 E131 M132N130-A134 WeakPolarHBondContact O-CB 3.37Å; N130-A134 PolarHBondContact O-N 3.25Å; E131-A134 PolarHBondContact O-N 2.89Å; M132-A134 PolarHBondContact O-N 2.99Å
135N94.6Very high95.4Very high58 Ų5854.8 Ų54.831%0.3129%0.287SS..THydrogen-bonded Turntrans-107.119.9-175.3-62.9-73.9000113.4E131 M132 I133 Q137 D138 A141E131-N135 WeakPolarHBondContact O-CB 3.45Å; E131-N135 PolarHBondContact O-N 2.89Å; E131-N135 PolarHBondContact O-ND2 3.49Å; M132-N135 CarbonylContact O-C 3.6Å; M132-N135 PolarHBondContact O-N 3.49Å; I133-N135 VanDerWaalsContact C-N 3.31Å; I133-N135 PolarHBondContact O-N 3.33Å; N135-Q137 PolarHBondContact O-N 3.33Å; N135-D138 CarbonylContact O-C 3.6Å; N135-D138 PolarHBondContact O-N 3.24Å; N135-D138 VanDerWaalsContact O-O 3.05Å; N135-A141 HydrophobicContact CB-CB 3.78Å
136N91.6Very high95.2Very high43 Ų4355.1 Ų55.123%0.2329%0.288CS..THydrogen-bonded Turntrans-63.7-11.4-173.373.418.6000115.7M132 I133 F142 M188 L192M132-N136 PolarHBondContact O-N 3.18Å; M132-N136 VanDerWaalsContact O-N 3.11Å; I133-N136 PolarHBondContact O-ND2 3.08Å; N136-F142 HydrophobicContact CB-CD2 4.33Å; N136-M188 HydrophobicContact CB-CG 3.88Å; N136-M188 HydrophobicContact CB-SD 4.1Å; N136-L192 HydrophobicContact CB-CD1 4.19Å
137Q90.4Very high95.1Very high141 Ų14151.1 Ų51.166%0.65927%0.27SS*.THydrogen-bonded Turntrans-98.6-9.4173.2-60-54.4-56.300113.6N135N135-Q137 PolarHBondContact O-N 3.33Å
138D92.1Very high94.9Very high81 Ų8153.4 Ų53.443%0.43327%0.27SS..  trans-109105.4177.2-176.4-27.3000108.7N135 E140 A141 F142N135-D138 CarbonylContact O-C 3.6Å; N135-D138 PolarHBondContact O-N 3.24Å; N135-D138 VanDerWaalsContact O-O 3.05Å; D138-E140 VanDerWaalsContact C-N 3.32Å; D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 3.26Å; D138-A141 HydrophobicContact CB-CB 3.99Å; D138-A141 PolarHBondContact O-N 3.42Å; D138-A141 PolarHBondContact OD1-N 2.94Å; D138-A141 VanDerWaalsContact OD1-N 3.11Å; D138-F142 WeakPolarHBondContact O-CB 3.45Å; D138-F142 PolarHBondContact O-N 3.41Å
139R89.7Confident94.9Very high116 Ų11653.1 Ų53.144%0.43827%0.268SS..Hα-helixtrans-57.2-42.9-177.2174.9172.8166.1-156.8-9.2113.2N143 E178 W181R139-N143 VanDerWaalsContact O-CB 3.3Å; R139-N143 WeakPolarHBondContact O-CB 3.31Å; R139-N143 PolarHBondContact O-N 3.07Å; R139-N143 PolarHBondContact O-OD1 3.32Å; R139-E178 PolarHBondContact NH2-O 3.35Å; R139-W181 HydrophobicContact CB-CD2 3.61Å; R139-W181 HydrophobicContact CB-CE3 3.8Å; R139-W181 HydrophobicContact CB-CG 4.12Å; R139-W181 HydrophobicContact CB-CH2 4.08Å; R139-W181 HydrophobicContact CB-CZ2 3.93Å; R139-W181 HydrophobicContact CB-CZ3 4.02Å; R139-W181 HydrophobicContact CG-CB 4Å; R139-W181 HydrophobicContact CG-CD2 3.61Å; R139-W181 HydrophobicContact CG-CE3 3.82Å; R139-W181 HydrophobicContact CG-CG 3.68Å; R139-W181 HydrophobicContact CG-CZ3 4.49Å
140E91.2Very high94.8Very high149 Ų14953.7 Ų53.770%0.69627%0.271SS*.Hα-helixtrans-70.5-51-176.2-172.4174.8177.500109.3D138 F142 N143 E144D138-E140 VanDerWaalsContact C-N 3.32Å; D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 3.26Å; E140-F142 VanDerWaalsContact C-N 3.34Å; E140-F142 PolarHBondContact O-N 2.76Å; E140-N143 PolarHBondContact O-N 2.81Å; E140-E144 WeakPolarHBondContact O-CG 3.44Å; E140-E144 PolarHBondContact O-N 3Å
141A94.5Very high94.7Very high26 Ų2652.8 Ų52.822%0.21526%0.264CS..Hα-helixtrans-63.5-38179.700000112.9N135 D138 A145N135-A141 HydrophobicContact CB-CB 3.78Å; D138-A141 HydrophobicContact CB-CB 3.99Å; D138-A141 PolarHBondContact O-N 3.42Å; D138-A141 PolarHBondContact OD1-N 2.94Å; D138-A141 VanDerWaalsContact OD1-N 3.11Å; A141-A145 PolarHBondContact O-N 3.45Å; A141-A145 VanDerWaalsContact O-N 3.11Å
142F94.7Very high94.7Very high4 Ų450.6 Ų50.62%0.01826%0.256CS..Hα-helixtrans-61.6-51.2173.5-179-85.1000111.6M132 N136 D138 E140 E144 A145 D146 W181 M188 T191 L192M132-F142 HydrophobicContact CB-CD2 4.02Å; M132-F142 HydrophobicContact CB-CE2 3.79Å; M132-F142 HydrophobicContact CB-CZ 4.49Å; M132-F142 HydrophobicContact CE-CE1 3.88Å; M132-F142 HydrophobicContact CE-CE2 3.82Å; M132-F142 HydrophobicContact CE-CZ 3.35Å; M132-F142 HydrophobicContact CG-CE2 4.38Å; M132-F142 WeakPolarHBondContact O-CD2 3.48Å; N136-F142 HydrophobicContact CB-CD2 4.33Å; D138-F142 WeakPolarHBondContact O-CB 3.45Å; D138-F142 PolarHBondContact O-N 3.41Å; E140-F142 VanDerWaalsContact C-N 3.34Å; E140-F142 PolarHBondContact O-N 2.76Å; F142-E144 VanDerWaalsContact C-N 3.28Å; F142-E144 PolarHBondContact O-N 3.45Å; F142-A145 WeakPolarHBondContact O-CB 3.36Å; F142-A145 PolarHBondContact O-N 3.05Å; F142-D146 HydrophobicContact CD1-CB 4.47Å; F142-D146 HydrophobicContact CE1-CB 4.25Å; F142-D146 WeakPolarHBondContact O-CB 3.41Å; F142-D146 PolarHBondContact O-N 2.65Å; F142-W181 AromaticContact CD1-CD1 3.49Å; F142-W181 VanDerWaalsContact CD1-CD1 3.49Å; F142-W181 AromaticContact CD1-NE1 3.89Å; F142-W181 AromaticContact CG-CD1 3.95Å; F142-W181 AromaticContact CG-NE1 3.85Å; F142-M188 HydrophobicContact CD2-CE 4.41Å; F142-M188 HydrophobicContact CD2-SD 4.11Å; F142-M188 HydrophobicContact CE1-SD 4.48Å; F142-M188 HydrophobicContact CE2-CE 4.23Å; F142-M188 HydrophobicContact CE2-SD 3.49Å; F142-M188 WeakPolarHBondContact CE2-SD 3.42Å; F142-M188 HydrophobicContact CZ-CE 4.29Å; F142-M188 HydrophobicContact CZ-SD 3.71Å; F142-T191 HydrophobicContact CZ-CG2 3.99Å; F142-L192 HydrophobicContact CE2-CD2 3.9Å
143N92.9Very high94.8Very high12 Ų1250.9 Ų50.96%0.06426%0.258CS..Hα-helixtrans-62.6-37.6-177.6-77.52.1000111.4R139 E140 A145 D146 I147 F177R139-N143 VanDerWaalsContact O-CB 3.3Å; R139-N143 WeakPolarHBondContact O-CB 3.31Å; R139-N143 PolarHBondContact O-N 3.07Å; R139-N143 PolarHBondContact O-OD1 3.32Å; E140-N143 PolarHBondContact O-N 2.81Å; N143-A145 VanDerWaalsContact C-N 3.35Å; N143-D146 PolarHBondContact O-N 3.01Å; N143-I147 VanDerWaalsContact O-CG1 3.29Å; N143-I147 WeakPolarHBondContact O-CG1 3.32Å; N143-I147 PolarHBondContact O-N 3.23Å; N143-F177 VanDerWaalsContact ND2-C 3.33Å; N143-F177 PolarHBondContact ND2-O 2.9Å; N143-F177 VanDerWaalsContact ND2-O 3.08Å
144E94.5Very high94.8Very high56 Ų5647.2 Ų47.226%0.26224%0.239SC..Hα-helixtrans-62.3-41.3173-70.1-53.5136.300112.6E140 F142 R148 R174E140-E144 WeakPolarHBondContact O-CG 3.44Å; E140-E144 PolarHBondContact O-N 3Å; F142-E144 VanDerWaalsContact C-N 3.28Å; F142-E144 PolarHBondContact O-N 3.45Å; E144-R148 PolarHBondContact O-N 3.11Å; E144-R148 VanDerWaalsContact O-N 3.09Å; E144-R148 PolarHBondContact O-NH1 3.31Å; E144-R174 IonicContact OE1-CZ 2.76Å; E144-R174 IonicContact OE1-NH1 2.78Å; E144-R174 PolarHBondContact OE1-NH1 3.37Å; E144-R174 IonicContact OE1-NH2 3.87Å; E144-R174 PolarHBondContact OE1-NH2 3.18Å; E144-R174 IonicContact OE2-CZ 3.3Å; E144-R174 IonicContact OE2-NH2 2.64Å; E144-R174 PolarHBondContact OE2-NH2 3.33Å
145A96.8Very high94.8Very high0 Ų046.7 Ų46.70%022%0.223CC..Hα-helixtrans-68.7-38.1177.200000112E131 M132 A141 F142 N143 R148 Y149E131-A145 HydrophobicContact CB-CB 3.74Å; M132-A145 HydrophobicContact CB-CB 4.4Å; M132-A145 HydrophobicContact CG-CB 3.56Å; A141-A145 PolarHBondContact O-N 3.45Å; A141-A145 VanDerWaalsContact O-N 3.11Å; F142-A145 WeakPolarHBondContact O-CB 3.36Å; F142-A145 PolarHBondContact O-N 3.05Å; N143-A145 VanDerWaalsContact C-N 3.35Å; A145-R148 PolarHBondContact O-N 3.09Å; A145-Y149 WeakPolarHBondContact O-CB 3.48Å; A145-Y149 PolarHBondContact O-N 2.67Å
146D95.6Very high95Very high7 Ų743.9 Ų43.94%0.03721%0.208CC..Hα-helixtrans-62.6-44.8175.6-164.1-11.7000111.6M132 F142 N143 R148 Y149 H150 F177 H195M132-D146 HydrophobicContact CE-CB 3.69Å; M132-D146 HydrophobicContact CG-CB 4.47Å; M132-D146 HydrophobicContact SD-CB 4.16Å; F142-D146 HydrophobicContact CD1-CB 4.47Å; F142-D146 HydrophobicContact CE1-CB 4.25Å; F142-D146 WeakPolarHBondContact O-CB 3.41Å; F142-D146 PolarHBondContact O-N 2.65Å; N143-D146 PolarHBondContact O-N 3.01Å; D146-R148 PolarHBondContact O-N 3.1Å; D146-Y149 WeakPolarHBondContact O-CB 3.2Å; D146-Y149 PolarHBondContact O-N 2.97Å; D146-H150 PolarHBondContact O-CD2 2.9Å; D146-H150 PolarHBondContact O-N 2.78Å; D146-H150 IonicContact OD1-CD2 3.98Å; D146-H150 PolarHBondContact OD1-CD2 2.86Å; D146-H150 IonicContact OD1-NE2 2.68Å; D146-H150 PolarHBondContact OD1-NE2 2.94Å; D146-F177 HydrophobicContact CB-CD2 4.04Å; D146-F177 HydrophobicContact CB-CE2 4.02Å; D146-F177 WeakPolarHBondContact OD1-CE2 3.28Å; D146-H195 IonicContact OD1-CD2 3.99Å; D146-H195 IonicContact OD1-CE1 3.48Å; D146-H195 IonicContact OD1-NE2 3.31Å; D146-H195 PolarHBondContact OD1-NE2 3.02Å; D146-H195 VanDerWaalsContact OD1-NE2 3.07Å; D146-H195 IonicContact OD2-CE1 2.77Å; D146-H195 IonicContact OD2-NE2 3.42Å
147I94.8Very high95.3Very high6 Ų641.9 Ų41.93%0.03120%0.198CC..Hα-helixtrans-60.5-46172.9-65.7-65.7000111.3N143 Y149 H150 E151 Q173 R174 F177N143-I147 VanDerWaalsContact O-CG1 3.29Å; N143-I147 WeakPolarHBondContact O-CG1 3.32Å; N143-I147 PolarHBondContact O-N 3.23Å; I147-Y149 VanDerWaalsContact C-N 3.28Å; I147-Y149 PolarHBondContact O-N 3.18Å; I147-H150 PolarHBondContact O-N 3.44Å; I147-E151 HydrophobicContact CG2-CG 4.33Å; I147-E151 WeakPolarHBondContact O-CB 3.29Å; I147-E151 WeakPolarHBondContact O-CG 3.39Å; I147-E151 PolarHBondContact O-N 3.32Å; I147-Q173 HydrophobicContact CD1-CB 3.49Å; I147-Q173 VanDerWaalsContact CD1-CB 3.49Å; I147-R174 HydrophobicContact CD1-CB 3.95Å; I147-R174 HydrophobicContact CG1-CB 4.4Å; I147-F177 HydrophobicContact CD1-CD2 3.64Å; I147-F177 HydrophobicContact CD1-CE2 3.72Å; I147-F177 HydrophobicContact CG1-CD2 4.08Å; I147-F177 HydrophobicContact CG1-CE2 4.38Å
148R96.2Very high95.6Very high99 Ų9939.7 Ų39.737%0.37419%0.187SC..Hα-helixtrans-60.9-37.6175.8-78.3-167.6-66-74.11112.4A128 E131 E144 A145 D146 A152A128-R148 HydrophobicContact CB-CB 4.14Å; E131-R148 IonicContact OE2-CZ 3.53Å; E131-R148 VanDerWaalsContact OE2-CZ 3.3Å; E131-R148 IonicContact OE2-NE 2.65Å; E131-R148 PolarHBondContact OE2-NE 2.97Å; E131-R148 VanDerWaalsContact OE2-NE 3.16Å; E131-R148 IonicContact OE2-NH2 3.74Å; E131-R148 PolarHBondContact OE2-NH2 3.43Å; E144-R148 PolarHBondContact O-N 3.11Å; E144-R148 VanDerWaalsContact O-N 3.09Å; E144-R148 PolarHBondContact O-NH1 3.31Å; A145-R148 PolarHBondContact O-N 3.09Å; D146-R148 PolarHBondContact O-N 3.1Å; R148-A152 VanDerWaalsContact O-CB 3.29Å; R148-A152 WeakPolarHBondContact O-CB 3.11Å; R148-A152 PolarHBondContact O-N 3.41Å
149Y98.3Very high95.9Very high0 Ų037.9 Ų37.90%018%0.178CC..Hα-helixtrans-60.7-52.3177175.5-84.6000110.5I125 A128 L129 M132 A145 D146 I147 E151 A152 V153 H195 L198 F199I125-Y149 HydrophobicContact CG2-CD2 3.79Å; I125-Y149 HydrophobicContact CG2-CE2 3.36Å; A128-Y149 HydrophobicContact CB-CD2 4.5Å; L129-Y149 HydrophobicContact CB-CD2 3.96Å; L129-Y149 HydrophobicContact CB-CE2 4.01Å; L129-Y149 HydrophobicContact CD1-CE2 4.48Å; M132-Y149 HydrophobicContact SD-CG 4.27Å; A145-Y149 WeakPolarHBondContact O-CB 3.48Å; A145-Y149 PolarHBondContact O-N 2.67Å; D146-Y149 WeakPolarHBondContact O-CB 3.2Å; D146-Y149 PolarHBondContact O-N 2.97Å; I147-Y149 VanDerWaalsContact C-N 3.28Å; I147-Y149 PolarHBondContact O-N 3.18Å; Y149-E151 PolarHBondContact O-N 3.08Å; Y149-A152 PolarHBondContact O-N 3.05Å; Y149-V153 HydrophobicContact CD1-CG2 4.31Å; Y149-V153 HydrophobicContact CE1-CG2 3.9Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 2.95Å; Y149-H195 AromaticContact CD1-CD2 3.75Å; Y149-H195 AromaticContact CE1-CD2 3.8Å; Y149-H195 PolarHBondContact OH-O 3.44Å; Y149-L198 HydrophobicContact CE1-CD2 4.05Å; Y149-F199 HydrophobicContact CE2-CB 4.33Å; Y149-F199 PolarHBondContact OH-N 3.18Å
150H96.5Very high96.1Very high19 Ų1936.3 Ų36.39%0.08818%0.182CC..Hα-helixtrans-66.9-36.9179.7-79.9-66.7000113.3D146 I147 V153 L154 Q173 F177 H195 M217D146-H150 PolarHBondContact O-CD2 2.9Å; D146-H150 PolarHBondContact O-N 2.78Å; D146-H150 IonicContact OD1-CD2 3.98Å; D146-H150 PolarHBondContact OD1-CD2 2.86Å; D146-H150 IonicContact OD1-NE2 2.68Å; D146-H150 PolarHBondContact OD1-NE2 2.94Å; I147-H150 PolarHBondContact O-N 3.44Å; H150-V153 PolarHBondContact O-N 2.95Å; H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 PolarHBondContact O-N 3.23Å; H150-Q173 VanDerWaalsContact CB-OE1 3.26Å; H150-F177 AromaticContact CD2-CE2 3.8Å; H150-F177 AromaticContact CD2-CZ 3.57Å; H150-F177 AromaticContact NE2-CZ 3.72Å; H150-H195 AromaticContact NE2-NE2 3.72Å; H150-M217 VanDerWaalsContact CE1-CE 3.49Å; H150-M217 WeakPolarHBondContact CE1-CE 3.37Å
151E96.2Very high96.2Very high69 Ų6934 Ų3432%0.32218%0.178SC..Hα-helixtrans-60.6-46.6171.4-76.6179.417200111.2I147 Y149 V153 L154 Q155 S170I147-E151 HydrophobicContact CG2-CG 4.33Å; I147-E151 WeakPolarHBondContact O-CB 3.29Å; I147-E151 WeakPolarHBondContact O-CG 3.39Å; I147-E151 PolarHBondContact O-N 3.32Å; Y149-E151 PolarHBondContact O-N 3.08Å; E151-V153 PolarHBondContact O-N 3.41Å; E151-L154 PolarHBondContact O-N 3.09Å; E151-Q155 VanDerWaalsContact O-CG 3.28Å; E151-Q155 WeakPolarHBondContact O-CG 3.03Å; E151-Q155 PolarHBondContact O-N 3.13Å; E151-S170 VanDerWaalsContact CD-OG 3.3Å; E151-S170 WeakPolarHBondContact CG-OG 3.35Å; E151-S170 VanDerWaalsContact OE1-CB 3.29Å; E151-S170 WeakPolarHBondContact OE1-CB 3.4Å; E151-S170 PolarHBondContact OE1-OG 3.35Å
152A97.9Very high96.1Very high17 Ų1733.7 Ų33.714%0.1417%0.173CC..Hα-helixtrans-61.4-42.1178.200000112.1Q124 I125 R148 Y149 L154 Q155 S156Q124-A152 HydrophobicContact CB-CB 4.26Å; I125-A152 HydrophobicContact CG1-CB 3.72Å; R148-A152 VanDerWaalsContact O-CB 3.29Å; R148-A152 WeakPolarHBondContact O-CB 3.11Å; R148-A152 PolarHBondContact O-N 3.41Å; Y149-A152 PolarHBondContact O-N 3.05Å; A152-L154 PolarHBondContact O-N 3.21Å; A152-Q155 PolarHBondContact O-N 3.07Å; A152-S156 PolarHBondContact O-N 3.47Å
153V98.4Very high96Very high5 Ų535.9 Ų35.93%0.0318%0.183CC..Hα-helixtrans-58.8-47.9173.3172.50000110.5I109 A113 I125 Y149 H150 E151 Q155 S156 I202I109-V153 HydrophobicContact CG2-CG1 4.12Å; A113-V153 HydrophobicContact CB-CG1 3.89Å; I125-V153 HydrophobicContact CD1-CG2 4.03Å; I125-V153 HydrophobicContact CG1-CG2 4.11Å; I125-V153 HydrophobicContact CG2-CG2 4.04Å; Y149-V153 HydrophobicContact CD1-CG2 4.31Å; Y149-V153 HydrophobicContact CE1-CG2 3.9Å; Y149-V153 WeakPolarHBondContact O-CG2 3.29Å; Y149-V153 PolarHBondContact O-N 2.95Å; H150-V153 PolarHBondContact O-N 2.95Å; E151-V153 PolarHBondContact O-N 3.41Å; V153-Q155 PolarHBondContact O-N 2.88Å; V153-S156 PolarHBondContact O-N 3.39Å; V153-S156 PolarHBondContact O-OG 3.01Å; V153-I202 HydrophobicContact CG1-CD1 3.97Å; V153-I202 HydrophobicContact CG2-CD1 3.95Å
154L97.4Very high95.8Very high5 Ų542.5 Ų42.53%0.02621%0.214CC..Hα-helixtrans-63.2-41.4178.2179.7160.1000112.4I109 H150 E151 A152 S156 V157 Q163 I169I109-L154 HydrophobicContact CD1-CD1 4.05Å; I109-L154 HydrophobicContact CD1-CG 4.25Å; I109-L154 HydrophobicContact CG2-CB 4.25Å; H150-L154 WeakPolarHBondContact O-CB 3.26Å; H150-L154 PolarHBondContact O-N 3.23Å; E151-L154 PolarHBondContact O-N 3.09Å; A152-L154 PolarHBondContact O-N 3.21Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.36Å; L154-V157 WeakPolarHBondContact O-CB 3.35Å; L154-V157 PolarHBondContact O-N 2.82Å; L154-Q163 HydrophobicContact CD2-CG 4.34Å; L154-I169 HydrophobicContact CD1-CB 4.39Å; L154-I169 HydrophobicContact CD1-CD1 3.51Å; L154-I169 HydrophobicContact CD1-CG2 4.48Å
155Q97.5Very high95.4Very high67 Ų6743.8 Ų43.831%0.31322%0.222SC..Hα-helixtrans-63.4-36.2178.4-67.9-54.1-44.900112.1E151 A152 V153 V157 H158 Q163E151-Q155 VanDerWaalsContact O-CG 3.28Å; E151-Q155 WeakPolarHBondContact O-CG 3.03Å; E151-Q155 PolarHBondContact O-N 3.13Å; A152-Q155 PolarHBondContact O-N 3.07Å; V153-Q155 PolarHBondContact O-N 2.88Å; Q155-V157 PolarHBondContact O-N 3.38Å; Q155-V157 VanDerWaalsContact O-N 3.08Å; Q155-H158 PolarHBondContact O-N 2.92Å; Q155-H158 VanDerWaalsContact O-N 3.07Å; Q155-Q163 PolarHBondContact O-NE2 2.79Å; Q155-Q163 VanDerWaalsContact OE1-CD 3.25Å
156S98.2Very high94.9Very high0 Ų044.6 Ų44.60%023%0.228CC..THydrogen-bonded Turntrans-63.9-12.7-179.779.30000114.8A113 A152 V153 L154 H158A113-S156 WeakPolarHBondContact CA-OG 3.24Å; A113-S156 WeakPolarHBondContact CB-OG 3.37Å; A152-S156 PolarHBondContact O-N 3.47Å; V153-S156 PolarHBondContact O-N 3.39Å; V153-S156 PolarHBondContact O-OG 3.01Å; L154-S156 VanDerWaalsContact C-N 3.29Å; L154-S156 PolarHBondContact O-N 3.36Å; S156-H158 PolarHBondContact O-CD2 3.05Å; S156-H158 PolarHBondContact O-N 3.09Å; S156-H158 PolarHBondContact O-NE2 3.24Å
157V97.8Very high94.3Very high1 Ų150.3 Ų50.31%0.00626%0.257CS..THydrogen-bonded Turntrans-70.1-18.5174.4173.40000112.2I109 W112 A113 R116 L154 Q155 N159 L162I109-V157 HydrophobicContact CG2-CG2 3.97Å; I109-V157 WeakPolarHBondContact O-CG2 3.48Å; W112-V157 HydrophobicContact CB-CB 4.45Å; W112-V157 HydrophobicContact CB-CG1 3.9Å; W112-V157 HydrophobicContact CB-CG2 3.95Å; W112-V157 HydrophobicContact CD2-CG1 4.38Å; W112-V157 HydrophobicContact CE3-CG1 3.65Å; A113-V157 HydrophobicContact CB-CG2 4.38Å; R116-V157 WeakPolarHBondContact CD-O 3.38Å; R116-V157 PolarHBondContact NH1-O 3.18Å; L154-V157 WeakPolarHBondContact O-CB 3.35Å; L154-V157 PolarHBondContact O-N 2.82Å; Q155-V157 PolarHBondContact O-N 3.38Å; Q155-V157 VanDerWaalsContact O-N 3.08Å; V157-N159 HydrophobicContact CG1-CB 3.8Å; V157-N159 PolarHBondContact O-N 3.31Å; V157-L162 HydrophobicContact CG1-CD1 3.92Å
158H97.4Very high93.7Very high94 Ų9450.9 Ų50.944%0.43526%0.263SS..  trans52.137.5-179.1-61.7-63.2000113.3D121 Q155 S156D121-H158 IonicContact OD1-CE1 3.16Å; D121-H158 IonicContact OD1-NE2 3.87Å; D121-H158 IonicContact OD2-CD2 2.63Å; D121-H158 IonicContact OD2-CE1 3.67Å; D121-H158 PolarHBondContact OD2-CE1 2.9Å; D121-H158 IonicContact OD2-NE2 3.8Å; D121-H158 PolarHBondContact OD2-NE2 3.41Å; Q155-H158 PolarHBondContact O-N 2.92Å; Q155-H158 VanDerWaalsContact O-N 3.07Å; S156-H158 PolarHBondContact O-CD2 3.05Å; S156-H158 PolarHBondContact O-N 3.09Å; S156-H158 PolarHBondContact O-NE2 3.24Å
159N96.9Very high93.1Very high44 Ų4447.3 Ų47.324%0.23525%0.25CS..  trans-110.9105.7174.8179.4-22.8000109.6V157 V161 L162 Q163V157-N159 HydrophobicContact CG1-CB 3.8Å; V157-N159 PolarHBondContact O-N 3.31Å; N159-V161 PolarHBondContact O-N 3.33Å; N159-V161 PolarHBondContact OD1-N 3.3Å; N159-L162 HydrophobicContact CB-CB 4.13Å; N159-L162 HydrophobicContact CB-CD1 4.24Å; N159-L162 HydrophobicContact CB-CG 4.43Å; N159-L162 PolarHBondContact O-N 3.4Å; N159-L162 PolarHBondContact OD1-N 3.04Å; N159-Q163 VanDerWaalsContact O-CG 3.28Å; N159-Q163 WeakPolarHBondContact O-CG 3.28Å; N159-Q163 PolarHBondContact O-N 3.34Å
160P94.4Very high92.6Very high82 Ų8247.8 Ų47.853%0.53225%0.254SS..Hα-helixtrans-57.7-26.9-174.8-26.834.8000114.8Q164P160-Q164 WeakPolarHBondContact O-CG 3.47Å; P160-Q164 PolarHBondContact O-N 3.21Å; P160-Q164 PolarHBondContact O-NE2 2.76Å
161V93.6Very high92Very high100 Ų10047.1 Ų47.161%0.60625%0.251SS*.Hα-helixtrans-76.5-44.4178.4-177.90000110.5N159 Q163 Q164 L165N159-V161 PolarHBondContact O-N 3.33Å; N159-V161 PolarHBondContact OD1-N 3.3Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; V161-Q164 PolarHBondContact O-N 2.62Å; V161-L165 PolarHBondContact O-N 3.39Å
162L91.9Very high91.4Very high21 Ų2144.4 Ų44.411%0.1124%0.239CC..Hα-helixtrans-65.1-38.1173.6-80.1177.4000111.7V105 I109 W112 V157 N159 Q164 L165 S166V105-L162 HydrophobicContact CG1-CD2 4.46Å; I109-L162 HydrophobicContact CD1-CD2 4.49Å; I109-L162 HydrophobicContact CG1-CD1 4.18Å; W112-L162 HydrophobicContact CE3-CD1 3.81Å; W112-L162 HydrophobicContact CZ3-CD1 3.56Å; V157-L162 HydrophobicContact CG1-CD1 3.92Å; N159-L162 HydrophobicContact CB-CB 4.13Å; N159-L162 HydrophobicContact CB-CD1 4.24Å; N159-L162 HydrophobicContact CB-CG 4.43Å; N159-L162 PolarHBondContact O-N 3.4Å; N159-L162 PolarHBondContact OD1-N 3.04Å; L162-Q164 VanDerWaalsContact C-N 3.26Å; L162-Q164 PolarHBondContact O-N 2.63Å; L162-L165 HydrophobicContact CD2-CD1 4.23Å; L162-L165 CarbonylContact O-C 3.56Å; L162-L165 WeakPolarHBondContact O-CA 3.44Å; L162-L165 WeakPolarHBondContact O-CB 3.21Å; L162-L165 PolarHBondContact O-N 2.74Å; L162-S166 PolarHBondContact O-N 2.91Å
163Q92.7Very high90.8Very high49 Ų4943.9 Ų43.923%0.22923%0.234CC..Hα-helixtrans-60.7-35.6176.1-69.1175.1-21.100112.2L154 Q155 N159 V161 L165 S166L154-Q163 HydrophobicContact CD2-CG 4.34Å; Q155-Q163 PolarHBondContact O-NE2 2.79Å; Q155-Q163 VanDerWaalsContact OE1-CD 3.25Å; N159-Q163 VanDerWaalsContact O-CG 3.28Å; N159-Q163 WeakPolarHBondContact O-CG 3.28Å; N159-Q163 PolarHBondContact O-N 3.34Å; V161-Q163 VanDerWaalsContact C-N 3.32Å; Q163-L165 VanDerWaalsContact C-N 3.27Å; Q163-L165 PolarHBondContact O-N 2.78Å; Q163-S166 WeakPolarHBondContact O-CB 3.19Å; Q163-S166 PolarHBondContact O-N 3.03Å; Q163-S166 PolarHBondContact O-OG 3.45Å
164Q88.5Confident90.3Very high151 Ų15146.9 Ų46.971%0.70624%0.244SC*.Hα-helixtrans-68.8-25.1171.9-74.8174.751.600113.3P160 V161 L162 S166P160-Q164 WeakPolarHBondContact O-CG 3.47Å; P160-Q164 PolarHBondContact O-N 3.21Å; P160-Q164 PolarHBondContact O-NE2 2.76Å; V161-Q164 PolarHBondContact O-N 2.62Å; L162-Q164 VanDerWaalsContact C-N 3.26Å; L162-Q164 PolarHBondContact O-N 2.63Å; Q164-S166 VanDerWaalsContact C-N 3.27Å
165L85.7Confident89.6Confident83 Ų8346.7 Ų46.744%0.43524%0.244SC..THydrogen-bonded Turntrans-80.3-6.2174.1-64.9173.6000113.2V161 L162 Q163 I167 A168 I169V161-L165 PolarHBondContact O-N 3.39Å; L162-L165 HydrophobicContact CD2-CD1 4.23Å; L162-L165 CarbonylContact O-C 3.56Å; L162-L165 WeakPolarHBondContact O-CA 3.44Å; L162-L165 WeakPolarHBondContact O-CB 3.21Å; L162-L165 PolarHBondContact O-N 2.74Å; Q163-L165 VanDerWaalsContact C-N 3.27Å; Q163-L165 PolarHBondContact O-N 2.78Å; L165-I167 VanDerWaalsContact C-N 3.34Å; L165-I167 PolarHBondContact O-N 3.38Å; L165-A168 PolarHBondContact O-N 3.21Å; L165-A168 VanDerWaalsContact O-N 3.13Å; L165-I169 HydrophobicContact CB-CD1 4.33Å; L165-I169 PolarHBondContact O-N 3.26Å
166S86.1Confident88.8Confident18 Ų1843.7 Ų43.713%0.12623%0.23CC..Hα-helixtrans-52-49.4179.657.50000112.4L162 Q163 Q164 A168 I169 S170L162-S166 PolarHBondContact O-N 2.91Å; Q163-S166 WeakPolarHBondContact O-CB 3.19Å; Q163-S166 PolarHBondContact O-N 3.03Å; Q163-S166 PolarHBondContact O-OG 3.45Å; Q164-S166 VanDerWaalsContact C-N 3.27Å; S166-A168 VanDerWaalsContact C-N 3.28Å; S166-A168 PolarHBondContact O-N 2.92Å; S166-I169 PolarHBondContact O-N 2.9Å; S166-I169 VanDerWaalsContact O-N 3.09Å; S166-S170 WeakPolarHBondContact O-CB 3.43Å; S166-S170 PolarHBondContact O-N 3.05Å; S166-S170 PolarHBondContact O-OG 3.31Å
167I83.7Confident88.2Confident127 Ų12744.2 Ų44.265%0.65123%0.232SC*.Hα-helixtrans-54.2-47-180-65.9161.9000111L165 S170 S171L165-I167 VanDerWaalsContact C-N 3.34Å; L165-I167 PolarHBondContact O-N 3.38Å; I167-S170 PolarHBondContact O-N 3Å; I167-S171 WeakPolarHBondContact O-CB 3.35Å; I167-S171 PolarHBondContact O-N 3.34Å; I167-S171 PolarHBondContact O-OG 3.3Å
168A83Confident87.4Confident18 Ų1846.7 Ų46.715%0.14924%0.244CC..Hα-helixtrans-67.1-38.3-178.600000112.5L77 L165 S166 L172L77-A168 HydrophobicContact CB-CB 4.03Å; L77-A168 HydrophobicContact CD1-CB 4.14Å; L77-A168 HydrophobicContact CD2-CB 4.23Å; L77-A168 HydrophobicContact CG-CB 4.36Å; L165-A168 PolarHBondContact O-N 3.21Å; L165-A168 VanDerWaalsContact O-N 3.13Å; S166-A168 VanDerWaalsContact C-N 3.28Å; S166-A168 PolarHBondContact O-N 2.92Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.13Å
169I83.8Confident86.6Confident23 Ų2345.9 Ų45.912%0.11824%0.237CC..Hα-helixtrans-69.4-46177.1-69.6166.2000110.2V105 I109 L154 L165 S166 S171 L172 Q173V105-I169 HydrophobicContact CG1-CD1 4.29Å; I109-I169 HydrophobicContact CD1-CD1 4.18Å; L154-I169 HydrophobicContact CD1-CB 4.39Å; L154-I169 HydrophobicContact CD1-CD1 3.51Å; L154-I169 HydrophobicContact CD1-CG2 4.48Å; L165-I169 HydrophobicContact CB-CD1 4.33Å; L165-I169 PolarHBondContact O-N 3.26Å; S166-I169 PolarHBondContact O-N 2.9Å; S166-I169 VanDerWaalsContact O-N 3.09Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.07Å; I169-L172 WeakPolarHBondContact O-CB 3.32Å; I169-L172 PolarHBondContact O-N 3.13Å; I169-L172 VanDerWaalsContact O-N 3.13Å; I169-Q173 HydrophobicContact CG2-CG 4.34Å; I169-Q173 WeakPolarHBondContact O-CG 3.21Å; I169-Q173 PolarHBondContact O-N 3.33Å
170S86.1Confident85.7Confident11 Ų1144 Ų448%0.07723%0.227CC..Hα-helixtrans-60.7-36.9175.4-57.90000112E151 S166 I167 Q173 R174E151-S170 VanDerWaalsContact CD-OG 3.3Å; E151-S170 WeakPolarHBondContact CG-OG 3.35Å; E151-S170 VanDerWaalsContact OE1-CB 3.29Å; E151-S170 WeakPolarHBondContact OE1-CB 3.4Å; E151-S170 PolarHBondContact OE1-OG 3.35Å; S166-S170 WeakPolarHBondContact O-CB 3.43Å; S166-S170 PolarHBondContact O-N 3.05Å; S166-S170 PolarHBondContact O-OG 3.31Å; I167-S170 PolarHBondContact O-N 3Å; S170-Q173 PolarHBondContact O-N 2.64Å; S170-R174 WeakPolarHBondContact O-CB 3.44Å; S170-R174 PolarHBondContact O-N 3.11Å
171S84.7Confident85.2Confident4 Ų442.8 Ų42.83%0.02821%0.212CC..Hα-helixtrans-60.3-46.4173-67.10000112.1L77 T79 I167 I169 A175L77-S171 WeakPolarHBondContact O-CB 2.95Å; L77-S171 PolarHBondContact O-OG 2.98Å; T79-S171 WeakPolarHBondContact OG1-CB 3.13Å; T79-S171 PolarHBondContact OG1-OG 3.31Å; I167-S171 WeakPolarHBondContact O-CB 3.35Å; I167-S171 PolarHBondContact O-N 3.34Å; I167-S171 PolarHBondContact O-OG 3.3Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.07Å; S171-A175 WeakPolarHBondContact O-CB 3.33Å; S171-A175 PolarHBondContact O-N 3.33Å
172L83Confident84.3Confident13 Ų1341.4 Ų41.47%0.06820%0.2CC..Hα-helixtrans-62.2-47.6175.7-70.7166.4000111.2L77 L82 M98 V101 A168 I169 A175 V176L77-L172 HydrophobicContact CD2-CD1 4.25Å; L82-L172 HydrophobicContact CD2-CD2 3.75Å; L82-L172 HydrophobicContact CD2-CG 4.43Å; M98-L172 HydrophobicContact CB-CD2 4.43Å; M98-L172 HydrophobicContact CE-CB 4.48Å; M98-L172 HydrophobicContact CE-CD2 3.9Å; M98-L172 HydrophobicContact CG-CD2 3.83Å; M98-L172 HydrophobicContact SD-CD2 4.45Å; V101-L172 HydrophobicContact CG1-CD1 4.3Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.13Å; I169-L172 WeakPolarHBondContact O-CB 3.32Å; I169-L172 PolarHBondContact O-N 3.13Å; I169-L172 VanDerWaalsContact O-N 3.13Å; L172-A175 PolarHBondContact O-N 2.89Å; L172-V176 WeakPolarHBondContact O-CG2 3.45Å; L172-V176 PolarHBondContact O-N 2.94Å; L172-V176 VanDerWaalsContact O-N 3.09Å
173Q86.2Confident83.2Confident5 Ų541.5 Ų41.52%0.02321%0.206CC..Hα-helixtrans-62.1-45.8-179.9-73.6175.2-20.900111.6E106 I147 H150 I169 S170 A175 V176 F177E106-Q173 PolarHBondContact OE1-NE2 2.64Å; I147-Q173 HydrophobicContact CD1-CB 3.49Å; I147-Q173 VanDerWaalsContact CD1-CB 3.49Å; H150-Q173 VanDerWaalsContact CB-OE1 3.26Å; I169-Q173 HydrophobicContact CG2-CG 4.34Å; I169-Q173 WeakPolarHBondContact O-CG 3.21Å; I169-Q173 PolarHBondContact O-N 3.33Å; S170-Q173 PolarHBondContact O-N 2.64Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.21Å; Q173-V176 CarbonylContact O-C 3.5Å; Q173-V176 WeakPolarHBondContact O-CA 3.35Å; Q173-V176 WeakPolarHBondContact O-CB 3.35Å; Q173-V176 PolarHBondContact O-N 3.37Å; Q173-F177 HydrophobicContact CB-CD2 4.29Å; Q173-F177 HydrophobicContact CB-CE1 4.37Å; Q173-F177 HydrophobicContact CB-CE2 3.79Å; Q173-F177 HydrophobicContact CB-CZ 3.83Å; Q173-F177 HydrophobicContact CG-CE2 4.42Å; Q173-F177 HydrophobicContact CG-CZ 4.05Å; Q173-F177 WeakPolarHBondContact O-CB 3.39Å; Q173-F177 WeakPolarHBondContact O-CD1 3.28Å; Q173-F177 WeakPolarHBondContact O-CG 3.23Å; Q173-F177 PolarHBondContact O-N 3.47Å
174R88Confident82.3Confident68 Ų6841.9 Ų41.926%0.25721%0.209SC..Hα-helixtrans-59.2-43.3179.7-178177.3-82.5-87.13.2111.2E144 I147 S170 V176 F177 E178E144-R174 IonicContact OE1-CZ 2.76Å; E144-R174 IonicContact OE1-NH1 2.78Å; E144-R174 PolarHBondContact OE1-NH1 3.37Å; E144-R174 IonicContact OE1-NH2 3.87Å; E144-R174 PolarHBondContact OE1-NH2 3.18Å; E144-R174 IonicContact OE2-CZ 3.3Å; E144-R174 IonicContact OE2-NH2 2.64Å; E144-R174 PolarHBondContact OE2-NH2 3.33Å; I147-R174 HydrophobicContact CD1-CB 3.95Å; I147-R174 HydrophobicContact CG1-CB 4.4Å; S170-R174 WeakPolarHBondContact O-CB 3.44Å; S170-R174 PolarHBondContact O-N 3.11Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 2.79Å; R174-F177 PolarHBondContact O-N 3.37Å; R174-E178 WeakPolarHBondContact O-CB 3.33Å; R174-E178 WeakPolarHBondContact O-CG 3.48Å; R174-E178 PolarHBondContact O-N 3.4Å
175A82.6Confident81.4Confident2 Ų243.7 Ų43.72%0.01722%0.218CC..Hα-helixtrans-65.9-34.3177.600000112.8L82 L86 M98 S171 L172 Q173L82-A175 HydrophobicContact CB-CB 4.37Å; L82-A175 HydrophobicContact CD2-CB 3.44Å; L82-A175 VanDerWaalsContact CD2-CB 3.44Å; L82-A175 HydrophobicContact CG-CB 3.71Å; L86-A175 HydrophobicContact CD1-CB 3.75Å; M98-A175 HydrophobicContact CE-CB 4.49Å; S171-A175 WeakPolarHBondContact O-CB 3.33Å; S171-A175 PolarHBondContact O-N 3.33Å; L172-A175 PolarHBondContact O-N 2.89Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.21Å
176V81.4Confident80.9Confident4 Ų443.3 Ų43.32%0.02423%0.227CC..Hα-helixtrans-71-50.3172.7174.30000111.1M98 L172 Q173 R174 E178 R179 T180 L225M98-V176 HydrophobicContact CE-CG2 3.55Å; L172-V176 WeakPolarHBondContact O-CG2 3.45Å; L172-V176 PolarHBondContact O-N 2.94Å; L172-V176 VanDerWaalsContact O-N 3.09Å; Q173-V176 CarbonylContact O-C 3.5Å; Q173-V176 WeakPolarHBondContact O-CA 3.35Å; Q173-V176 WeakPolarHBondContact O-CB 3.35Å; Q173-V176 PolarHBondContact O-N 3.37Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 2.79Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.01Å; V176-R179 CarbonylContact O-C 3.56Å; V176-R179 WeakPolarHBondContact O-CA 3.39Å; V176-R179 PolarHBondContact O-N 3.11Å; V176-T180 HydrophobicContact CG1-CG2 3.8Å; V176-T180 PolarHBondContact O-N 2.65Å; V176-T180 PolarHBondContact O-OG1 2.96Å; V176-L225 HydrophobicContact CG1-CD2 4.38Å; V176-L225 HydrophobicContact CG2-CD2 4.22Å
177F84.5Confident80.8Confident10 Ų1043.8 Ų43.84%0.04423%0.228CC..Hα-helixtrans-68-32.6-173-60.9-11.2000112.5N143 D146 I147 H150 Q173 R174 R179 T180 W181N143-F177 VanDerWaalsContact ND2-C 3.33Å; N143-F177 PolarHBondContact ND2-O 2.9Å; N143-F177 VanDerWaalsContact ND2-O 3.08Å; D146-F177 HydrophobicContact CB-CD2 4.04Å; D146-F177 HydrophobicContact CB-CE2 4.02Å; D146-F177 WeakPolarHBondContact OD1-CE2 3.28Å; I147-F177 HydrophobicContact CD1-CD2 3.64Å; I147-F177 HydrophobicContact CD1-CE2 3.72Å; I147-F177 HydrophobicContact CG1-CD2 4.08Å; I147-F177 HydrophobicContact CG1-CE2 4.38Å; H150-F177 AromaticContact CD2-CE2 3.8Å; H150-F177 AromaticContact CD2-CZ 3.57Å; H150-F177 AromaticContact NE2-CZ 3.72Å; Q173-F177 HydrophobicContact CB-CD2 4.29Å; Q173-F177 HydrophobicContact CB-CE1 4.37Å; Q173-F177 HydrophobicContact CB-CE2 3.79Å; Q173-F177 HydrophobicContact CB-CZ 3.83Å; Q173-F177 HydrophobicContact CG-CE2 4.42Å; Q173-F177 HydrophobicContact CG-CZ 4.05Å; Q173-F177 WeakPolarHBondContact O-CB 3.39Å; Q173-F177 WeakPolarHBondContact O-CD1 3.28Å; Q173-F177 WeakPolarHBondContact O-CG 3.23Å; Q173-F177 PolarHBondContact O-N 3.47Å; R174-F177 PolarHBondContact O-N 3.37Å; F177-R179 PolarHBondContact O-N 3.32Å; F177-R179 VanDerWaalsContact O-N 3.13Å; F177-T180 PolarHBondContact O-N 3.04Å; F177-W181 PolarHBondContact O-N 3.25Å; F177-W181 VanDerWaalsContact O-N 3.14Å
178E82Confident81.1Confident54 Ų5438.1 Ų38.125%0.25220%0.198SC..Hα-helixtrans-56.1-26.1168-84.4179.9-168.700112.3Q83 R139 R174 V176Q83-E178 PolarHBondContact NE2-OE1 3.06Å; Q83-E178 PolarHBondContact NE2-OE2 3.32Å; R139-E178 PolarHBondContact NH2-O 3.35Å; R174-E178 WeakPolarHBondContact O-CB 3.33Å; R174-E178 WeakPolarHBondContact O-CG 3.48Å; R174-E178 PolarHBondContact O-N 3.4Å; V176-E178 VanDerWaalsContact C-N 3.33Å; V176-E178 PolarHBondContact O-N 3.01Å
179R78.9Confident81.5Confident76 Ų7640.7 Ų40.729%0.28721%0.214SC..Hα-helixtrans-101.8-34.1179-58.9-55.6-173.4170-3.7112.8L86 Y90 V176 F177 L225 I228L86-R179 PolarHBondContact O-NH2 3.41Å; Y90-R179 VanDerWaalsContact OH-CD 3.32Å; Y90-R179 WeakPolarHBondContact OH-CD 3.49Å; Y90-R179 WeakPolarHBondContact OH-CG 3.3Å; V176-R179 CarbonylContact O-C 3.56Å; V176-R179 WeakPolarHBondContact O-CA 3.39Å; V176-R179 PolarHBondContact O-N 3.11Å; F177-R179 PolarHBondContact O-N 3.32Å; F177-R179 VanDerWaalsContact O-N 3.13Å; R179-L225 HydrophobicContact CB-CD1 3.8Å; R179-L225 HydrophobicContact CG-CD1 4.46Å; R179-I228 HydrophobicContact CB-CD1 4.32Å; R179-I228 WeakPolarHBondContact O-CD1 3.38Å
180T80.1Confident81.9Confident4 Ų443 Ų433%0.02522%0.224CC..Hα-helixtrans-92.2-3-172.960.30000114.8V176 F177 M182 S221 R224 L225V176-T180 HydrophobicContact CG1-CG2 3.8Å; V176-T180 PolarHBondContact O-N 2.65Å; V176-T180 PolarHBondContact O-OG1 2.96Å; F177-T180 PolarHBondContact O-N 3.04Å; T180-M182 PolarHBondContact O-N 3.26Å; T180-S221 WeakPolarHBondContact CG2-O 3.23Å; T180-R224 HydrophobicContact CG2-CB 3.99Å; T180-R224 PolarHBondContact O-NH1 3.4Å; T180-R224 VanDerWaalsContact O-NH1 3.12Å; T180-L225 HydrophobicContact CG2-CB 3.9Å; T180-L225 HydrophobicContact CG2-CD1 4.18Å
181W83.3Confident82.3Confident57 Ų5742.7 Ų42.722%0.21622%0.222CC..  trans-63.8120.9170-175.893.4000109.7R139 F142 F177 G183 M188R139-W181 HydrophobicContact CB-CD2 3.61Å; R139-W181 HydrophobicContact CB-CE3 3.8Å; R139-W181 HydrophobicContact CB-CG 4.12Å; R139-W181 HydrophobicContact CB-CH2 4.08Å; R139-W181 HydrophobicContact CB-CZ2 3.93Å; R139-W181 HydrophobicContact CB-CZ3 4.02Å; R139-W181 HydrophobicContact CG-CB 4Å; R139-W181 HydrophobicContact CG-CD2 3.61Å; R139-W181 HydrophobicContact CG-CE3 3.82Å; R139-W181 HydrophobicContact CG-CG 3.68Å; R139-W181 HydrophobicContact CG-CZ3 4.49Å; F142-W181 AromaticContact CD1-CD1 3.49Å; F142-W181 VanDerWaalsContact CD1-CD1 3.49Å; F142-W181 AromaticContact CD1-NE1 3.89Å; F142-W181 AromaticContact CG-CD1 3.95Å; F142-W181 AromaticContact CG-NE1 3.85Å; F177-W181 PolarHBondContact O-N 3.25Å; F177-W181 VanDerWaalsContact O-N 3.14Å; W181-G183 VanDerWaalsContact CH2-CA 3.5Å; W181-M188 HydrophobicContact CD2-CE 4.47Å; W181-M188 HydrophobicContact CG-CE 4.43Å; W181-M188 HydrophobicContact CZ2-CE 4.32Å
182M75.1Confident82.8Confident71 Ų7143.7 Ų43.735%0.3523%0.227SC..  trans-13495.2-178.7-67.3-66.9-76.300106.5T180 D184 N187T180-M182 PolarHBondContact O-N 3.26Å; M182-D184 WeakPolarHBondContact CB-OD2 3.29Å; M182-D184 PolarHBondContact O-N 3.22Å; M182-N187 HydrophobicContact CB-CB 3.67Å
183G67.9Low83.5Confident23 Ų2349.9 Ų49.924%0.23726%0.255CS..  trans-70.27.3-179.200000114.7W181W181-G183 VanDerWaalsContact CH2-CA 3.5Å
184D74.4Confident84Confident58 Ų5850.5 Ų50.531%0.3126%0.258SS..SBendtrans-70.9156176.568.573.5000112.3M182 A186 N187 M188M182-D184 WeakPolarHBondContact CB-OD2 3.29Å; M182-D184 PolarHBondContact O-N 3.22Å; D184-A186 PolarHBondContact O-N 3.31Å; D184-A186 VanDerWaalsContact O-N 3.12Å; D184-A186 WeakPolarHBondContact OD1-CA 3.29Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.91Å; D184-N187 PolarHBondContact O-N 3.13Å; D184-N187 PolarHBondContact OD1-N 3.44Å; D184-N187 PolarHBondContact OD1-ND2 3.07Å; D184-N187 VanDerWaalsContact OD1-ND2 3.15Å; D184-N187 PolarHBondContact OD2-ND2 3.13Å; D184-M188 PolarHBondContact O-N 3.24Å
185E69.7Low84.5Confident189 Ų18947.5 Ų47.588%0.88325%0.247SC*.THydrogen-bonded Turntrans-63.8-15-176.9-66.1-176.2170.100113.9P189E185-P189 VanDerWaalsContact O-CD 3.3Å; E185-P189 WeakPolarHBondContact O-CD 3.19Å; E185-P189 VanDerWaalsContact O-CG 3.31Å; E185-P189 WeakPolarHBondContact O-CG 3.2Å
186A75.3Confident85.3Confident75 Ų7552.6 Ų52.662%0.6227%0.269SS*.THydrogen-bonded Turntrans-88-42.8179.200000112D184D184-A186 PolarHBondContact O-N 3.31Å; D184-A186 VanDerWaalsContact O-N 3.12Å; D184-A186 WeakPolarHBondContact OD1-CA 3.29Å; D184-A186 WeakPolarHBondContact OD1-CB 3.41Å; D184-A186 PolarHBondContact OD1-N 2.91Å
187N83.9Confident86.1Confident27 Ų2754.7 Ų54.714%0.14429%0.287CS..Hα-helixtrans-90.1-36.9-170.9-72.8-59000114.1M182 D184 Q190 T191M182-N187 HydrophobicContact CB-CB 3.67Å; D184-N187 PolarHBondContact O-N 3.13Å; D184-N187 PolarHBondContact OD1-N 3.44Å; D184-N187 PolarHBondContact OD1-ND2 3.07Å; D184-N187 VanDerWaalsContact OD1-ND2 3.15Å; D184-N187 PolarHBondContact OD2-ND2 3.13Å; N187-Q190 PolarHBondContact O-N 2.84Å; N187-T191 WeakPolarHBondContact O-CB 3.34Å; N187-T191 PolarHBondContact O-N 3.36Å; N187-T191 PolarHBondContact O-OG1 3.01Å
188M90.5Very high86.8Confident8 Ų854.3 Ų54.34%0.03929%0.285CS..Hα-helixtrans-67.8-44.3-174.8-171.356.968.500112.8N136 F142 W181 D184 Q190 T191 L192N136-M188 HydrophobicContact CB-CG 3.88Å; N136-M188 HydrophobicContact CB-SD 4.1Å; F142-M188 HydrophobicContact CD2-CE 4.41Å; F142-M188 HydrophobicContact CD2-SD 4.11Å; F142-M188 HydrophobicContact CE1-SD 4.48Å; F142-M188 HydrophobicContact CE2-CE 4.23Å; F142-M188 HydrophobicContact CE2-SD 3.49Å; F142-M188 WeakPolarHBondContact CE2-SD 3.42Å; F142-M188 HydrophobicContact CZ-CE 4.29Å; F142-M188 HydrophobicContact CZ-SD 3.71Å; W181-M188 HydrophobicContact CD2-CE 4.47Å; W181-M188 HydrophobicContact CG-CE 4.43Å; W181-M188 HydrophobicContact CZ2-CE 4.32Å; D184-M188 PolarHBondContact O-N 3.24Å; M188-Q190 VanDerWaalsContact C-N 3.31Å; M188-Q190 PolarHBondContact O-N 3.32Å; M188-T191 PolarHBondContact O-N 2.7Å; M188-L192 HydrophobicContact CG-CD1 4.4Å; M188-L192 PolarHBondContact O-N 2.97Å; M188-L192 HydrophobicContact SD-CG 4.42Å
189P91.4Very high87.6Confident73 Ų7352.2 Ų52.247%0.47428%0.275SS..Hα-helixtrans-60.8-39.6175.2-25.637.5000112.9E185 L192 Q193E185-P189 VanDerWaalsContact O-CD 3.3Å; E185-P189 WeakPolarHBondContact O-CD 3.19Å; E185-P189 VanDerWaalsContact O-CG 3.31Å; E185-P189 WeakPolarHBondContact O-CG 3.2Å; P189-L192 PolarHBondContact O-N 3.23Å; P189-Q193 WeakPolarHBondContact O-CB 3.37Å; P189-Q193 PolarHBondContact O-N 3.33Å
190Q92.2Very high88.5Confident70 Ų7050.1 Ų50.133%0.32727%0.27SS..Hα-helixtrans-62.7-47.4175-179.9176.9-0.900110.9N187 M188 L192 Q193 E194 S220N187-Q190 PolarHBondContact O-N 2.84Å; M188-Q190 VanDerWaalsContact C-N 3.31Å; M188-Q190 PolarHBondContact O-N 3.32Å; Q190-L192 PolarHBondContact O-N 3.2Å; Q190-Q193 PolarHBondContact O-N 2.95Å; Q190-E194 HydrophobicContact CG-CG 4.34Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.23Å; Q190-E194 PolarHBondContact NE2-OE1 2.78Å; Q190-E194 VanDerWaalsContact O-CG 3.31Å; Q190-E194 WeakPolarHBondContact O-CG 3.31Å; Q190-E194 PolarHBondContact O-N 2.95Å; Q190-S220 PolarHBondContact NE2-OG 3.04Å
191T93.6Very high89.4Confident5 Ų550.2 Ų50.23%0.03127%0.271CS..Hα-helixtrans-56.8-49.8178.8-59.80000110.6F142 N187 M188 Q193 E194 H195 R224F142-T191 HydrophobicContact CZ-CG2 3.99Å; N187-T191 WeakPolarHBondContact O-CB 3.34Å; N187-T191 PolarHBondContact O-N 3.36Å; N187-T191 PolarHBondContact O-OG1 3.01Å; M188-T191 PolarHBondContact O-N 2.7Å; T191-Q193 VanDerWaalsContact C-N 3.33Å; T191-Q193 PolarHBondContact O-N 3.01Å; T191-E194 PolarHBondContact O-N 2.82Å; T191-H195 PolarHBondContact O-N 2.9Å; T191-H195 VanDerWaalsContact O-N 3.12Å; T191-H195 PolarHBondContact O-ND1 2.82Å; T191-R224 PolarHBondContact OG1-NH1 3.1Å; T191-R224 PolarHBondContact OG1-NH2 3.24Å
192L95.9Very high90.1Very high26 Ų2647.6 Ų47.614%0.13626%0.261CS..Hα-helixtrans-63.3-37.7178.5-71.1174.2000112.7M132 I133 N136 F142 M188 P189 Q190 H195 K196M132-L192 HydrophobicContact CB-CD2 4.06Å; I133-L192 HydrophobicContact CG1-CD1 4.39Å; I133-L192 HydrophobicContact CG1-CD2 3.86Å; N136-L192 HydrophobicContact CB-CD1 4.19Å; F142-L192 HydrophobicContact CE2-CD2 3.9Å; M188-L192 HydrophobicContact CG-CD1 4.4Å; M188-L192 PolarHBondContact O-N 2.97Å; M188-L192 HydrophobicContact SD-CG 4.42Å; P189-L192 PolarHBondContact O-N 3.23Å; Q190-L192 PolarHBondContact O-N 3.2Å; L192-H195 PolarHBondContact O-N 2.66Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 PolarHBondContact O-N 3.27Å
193Q96.5Very high91.3Very high143 Ų14349.2 Ų49.267%0.66826%0.263SS*.Hα-helixtrans-64.2-41.6176-175.8179.95.300111.9P189 Q190 T191 K196 A197P189-Q193 WeakPolarHBondContact O-CB 3.37Å; P189-Q193 PolarHBondContact O-N 3.33Å; Q190-Q193 PolarHBondContact O-N 2.95Å; T191-Q193 VanDerWaalsContact C-N 3.33Å; T191-Q193 PolarHBondContact O-N 3.01Å; Q193-K196 PolarHBondContact O-N 3.49Å; Q193-A197 WeakPolarHBondContact O-CB 3.39Å; Q193-A197 PolarHBondContact O-N 2.75Å
194E97.5Very high92.7Very high17 Ų1753.8 Ų53.88%0.07928%0.278CS..Hα-helixtrans-63.5-44.1177.8-69170.6173.500111.4Q190 T191 A197 L198 T216 M217 S220Q190-E194 HydrophobicContact CG-CG 4.34Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.23Å; Q190-E194 PolarHBondContact NE2-OE1 2.78Å; Q190-E194 VanDerWaalsContact O-CG 3.31Å; Q190-E194 WeakPolarHBondContact O-CG 3.31Å; Q190-E194 PolarHBondContact O-N 2.95Å; T191-E194 PolarHBondContact O-N 2.82Å; E194-A197 PolarHBondContact O-N 2.91Å; E194-L198 PolarHBondContact O-N 3.22Å; E194-L198 VanDerWaalsContact O-N 3.12Å; E194-T216 HydrophobicContact CG-CG2 4.44Å; E194-M217 HydrophobicContact CB-CG 3.61Å; E194-S220 VanDerWaalsContact OE1-CB 3.28Å; E194-S220 WeakPolarHBondContact OE1-CB 3.49Å; E194-S220 PolarHBondContact OE1-OG 2.88Å; E194-S220 WeakPolarHBondContact OE2-CB 3.5Å
195H98.2Very high93.9Very high6 Ų658.1 Ų58.13%0.02830%0.297CS..Hα-helixtrans-64.1-41.1174.8-70.580000112.2L129 D146 Y149 H150 T191 L192 A197 L198 F199 M217L129-H195 HydrophobicContact CD1-CB 3.8Å; D146-H195 IonicContact OD1-CD2 3.99Å; D146-H195 IonicContact OD1-CE1 3.48Å; D146-H195 IonicContact OD1-NE2 3.31Å; D146-H195 PolarHBondContact OD1-NE2 3.02Å; D146-H195 VanDerWaalsContact OD1-NE2 3.07Å; D146-H195 IonicContact OD2-CE1 2.77Å; D146-H195 IonicContact OD2-NE2 3.42Å; Y149-H195 AromaticContact CD1-CD2 3.75Å; Y149-H195 AromaticContact CE1-CD2 3.8Å; Y149-H195 PolarHBondContact OH-O 3.44Å; H150-H195 AromaticContact NE2-NE2 3.72Å; T191-H195 PolarHBondContact O-N 2.9Å; T191-H195 VanDerWaalsContact O-N 3.12Å; T191-H195 PolarHBondContact O-ND1 2.82Å; L192-H195 PolarHBondContact O-N 2.66Å; H195-A197 VanDerWaalsContact C-N 3.32Å; H195-A197 PolarHBondContact O-N 3.47Å; H195-L198 PolarHBondContact O-N 3.35Å; H195-F199 PolarHBondContact O-N 3.34Å; H195-M217 WeakPolarHBondContact CD2-CE 3.34Å; H195-M217 VanDerWaalsContact CE1-CE 3.47Å; H195-M217 WeakPolarHBondContact CE1-CE 3.13Å; H195-M217 WeakPolarHBondContact NE2-CE 3.48Å
196K98.4Very high95.3Very high108 Ų10852.8 Ų52.847%0.4727%0.274SS..Hα-helixtrans-62.7-40.4175.5-174.8178.9-178.1-62.10111.5L129 L192 Q193 F199 D200L129-K196 HydrophobicContact CD2-CB 4.45Å; L192-K196 WeakPolarHBondContact O-CB 3.47Å; L192-K196 PolarHBondContact O-N 3.27Å; Q193-K196 PolarHBondContact O-N 3.49Å; K196-F199 PolarHBondContact O-N 3.41Å; K196-D200 IonicContact NZ-OD1 2.65Å; K196-D200 IonicContact NZ-OD2 3.58Å; K196-D200 PolarHBondContact NZ-OD2 3.3Å; K196-D200 WeakPolarHBondContact O-CB 3.29Å; K196-D200 PolarHBondContact O-N 2.83Å
197A98.7Very high96.4Very high48 Ų4849.6 Ų49.640%0.39725%0.249SC..Hα-helixtrans-62.4-42.8177.800000111.9Q193 E194 H195 D200 A201Q193-A197 WeakPolarHBondContact O-CB 3.39Å; Q193-A197 PolarHBondContact O-N 2.75Å; E194-A197 PolarHBondContact O-N 2.91Å; H195-A197 VanDerWaalsContact C-N 3.32Å; H195-A197 PolarHBondContact O-N 3.47Å; A197-D200 PolarHBondContact O-N 3.48Å; A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 2.85Å
198L98.8Very high97.1Very high3 Ų353.2 Ų53.22%0.01627%0.268CS..Hα-helixtrans-63.1-47.1174.3175.156.5000111.7A110 Y149 E194 H195 D200 A201 I202 A210 A213 M217A110-L198 HydrophobicContact CB-CD1 3.71Å; Y149-L198 HydrophobicContact CE1-CD2 4.05Å; E194-L198 PolarHBondContact O-N 3.22Å; E194-L198 VanDerWaalsContact O-N 3.12Å; H195-L198 PolarHBondContact O-N 3.35Å; L198-D200 PolarHBondContact O-N 3.5Å; L198-A201 PolarHBondContact O-N 3.37Å; L198-I202 HydrophobicContact CD1-CD1 3.83Å; L198-I202 HydrophobicContact CD1-CG1 4.12Å; L198-I202 HydrophobicContact CG-CD1 4Å; L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.39Å; L198-A210 HydrophobicContact CD1-CB 4.01Å; L198-A210 WeakPolarHBondContact CD1-O 2.77Å; L198-A213 HydrophobicContact CB-CB 3.84Å; L198-A213 HydrophobicContact CD1-CB 4.29Å; L198-M217 HydrophobicContact CB-SD 4.09Å; L198-M217 HydrophobicContact CD2-SD 3.79Å
199F98.9Very high97.5Very high9 Ų954.6 Ų54.64%0.03928%0.281CS..Hα-helixtrans-59.8-45.7177.2170.2-112.1000111.9L122 I125 E126 L129 Y149 H195 K196 A201 I202 R203L122-F199 HydrophobicContact CD2-CE2 4.38Å; I125-F199 HydrophobicContact CB-CD2 4.21Å; I125-F199 HydrophobicContact CB-CE2 4.48Å; I125-F199 HydrophobicContact CG2-CB 4.5Å; I125-F199 HydrophobicContact CG2-CD2 3.65Å; I125-F199 HydrophobicContact CG2-CE2 4.39Å; I125-F199 HydrophobicContact CG2-CG 4.47Å; E126-F199 HydrophobicContact CB-CE1 4.38Å; E126-F199 HydrophobicContact CB-CE2 3.83Å; E126-F199 HydrophobicContact CB-CZ 3.63Å; E126-F199 HydrophobicContact CG-CE1 4.22Å; E126-F199 HydrophobicContact CG-CZ 3.88Å; L129-F199 HydrophobicContact CD2-CB 4.04Å; L129-F199 HydrophobicContact CD2-CD1 4.01Å; L129-F199 HydrophobicContact CD2-CG 4.16Å; Y149-F199 HydrophobicContact CE2-CB 4.33Å; Y149-F199 PolarHBondContact OH-N 3.18Å; H195-F199 PolarHBondContact O-N 3.34Å; K196-F199 PolarHBondContact O-N 3.41Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 2.9Å; F199-I202 PolarHBondContact O-N 2.91Å; F199-R203 VanDerWaalsContact O-CB 3.28Å; F199-R203 WeakPolarHBondContact O-CB 3.29Å; F199-R203 PolarHBondContact O-N 3.39Å
200D98.8Very high97.8Very high32 Ų3251.1 Ų51.117%0.17126%0.258CS..Hα-helixtrans-61.8-41.1177.8-79.9-35.7000111.3K196 A197 L198 R203 H204K196-D200 IonicContact NZ-OD1 2.65Å; K196-D200 IonicContact NZ-OD2 3.58Å; K196-D200 PolarHBondContact NZ-OD2 3.3Å; K196-D200 WeakPolarHBondContact O-CB 3.29Å; K196-D200 PolarHBondContact O-N 2.83Å; A197-D200 PolarHBondContact O-N 3.48Å; L198-D200 PolarHBondContact O-N 3.5Å; D200-R203 PolarHBondContact O-N 3.37Å; D200-R203 IonicContact OD1-CZ 3.97Å; D200-R203 IonicContact OD1-NE 2.93Å; D200-R203 PolarHBondContact OD1-NE 2.95Å; D200-R203 IonicContact OD1-NH2 3.55Å; D200-R203 PolarHBondContact OD1-NH2 2.96Å; D200-H204 WeakPolarHBondContact O-CB 3.37Å; D200-H204 PolarHBondContact O-N 2.97Å; D200-H204 PolarHBondContact O-ND1 3.06Å
201A98.9Very high98.2Very high7 Ų751 Ų516%0.05826%0.258CS..Hα-helixtrans-62.3-4517600000112A197 L198 F199 R203 H204 Q205 D206 A209 A210A197-A201 WeakPolarHBondContact O-CB 3.42Å; A197-A201 PolarHBondContact O-N 2.85Å; L198-A201 PolarHBondContact O-N 3.37Å; F199-A201 VanDerWaalsContact C-N 3.33Å; F199-A201 PolarHBondContact O-N 2.9Å; A201-R203 PolarHBondContact O-N 2.9Å; A201-H204 PolarHBondContact O-N 3.19Å; A201-Q205 PolarHBondContact O-N 3.13Å; A201-Q205 VanDerWaalsContact O-N 3.14Å; A201-D206 PolarHBondContact O-N 3.34Å; A201-A209 HydrophobicContact CB-CB 3.74Å; A201-A210 HydrophobicContact CB-CB 3.81Å
202I98.9Very high98.4Very high2 Ų256.3 Ų56.31%0.0128%0.282CS..Hα-helixtrans-61.6-46.1175.6-65.3168.4000110.6A113 A114 A117 L122 I125 V153 L198 F199 H204 Q205 A210A113-I202 HydrophobicContact CB-CD1 3.91Å; A113-I202 HydrophobicContact CB-CG1 4.16Å; A113-I202 HydrophobicContact CB-CG2 4.42Å; A114-I202 HydrophobicContact CB-CB 4.48Å; A114-I202 HydrophobicContact CB-CG1 4.28Å; A117-I202 HydrophobicContact CB-CG2 3.88Å; L122-I202 HydrophobicContact CD2-CG2 3.77Å; I125-I202 HydrophobicContact CD1-CG2 4.39Å; V153-I202 HydrophobicContact CG1-CD1 3.97Å; V153-I202 HydrophobicContact CG2-CD1 3.95Å; L198-I202 HydrophobicContact CD1-CD1 3.83Å; L198-I202 HydrophobicContact CD1-CG1 4.12Å; L198-I202 HydrophobicContact CG-CD1 4Å; L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.39Å; F199-I202 PolarHBondContact O-N 2.91Å; I202-H204 VanDerWaalsContact C-N 3.29Å; I202-H204 PolarHBondContact O-N 3.35Å; I202-Q205 PolarHBondContact O-N 3Å; I202-A210 HydrophobicContact CG1-CB 4.24Å
203R98.7Very high98.5Very high104 Ų10455.6 Ų55.639%0.39228%0.28SS..Hα-helixtrans-62.5-34.3179.7-176.1175.860.573.9-2.6112.8L122 F199 D200 A201 Q205L122-R203 HydrophobicContact CD2-CB 4.25Å; F199-R203 VanDerWaalsContact O-CB 3.28Å; F199-R203 WeakPolarHBondContact O-CB 3.29Å; F199-R203 PolarHBondContact O-N 3.39Å; D200-R203 PolarHBondContact O-N 3.37Å; D200-R203 IonicContact OD1-CZ 3.97Å; D200-R203 IonicContact OD1-NE 2.93Å; D200-R203 PolarHBondContact OD1-NE 2.95Å; D200-R203 IonicContact OD1-NH2 3.55Å; D200-R203 PolarHBondContact OD1-NH2 2.96Å; A201-R203 PolarHBondContact O-N 2.9Å; R203-Q205 VanDerWaalsContact C-N 3.29Å
204H98.5Very high98.6Very high119 Ų11949 Ų4955%0.55125%0.25SC*.THydrogen-bonded Turntrans-87.23.7175.5-62.6112.3000113.6D200 A201 I202 D206D200-H204 WeakPolarHBondContact O-CB 3.37Å; D200-H204 PolarHBondContact O-N 2.97Å; D200-H204 PolarHBondContact O-ND1 3.06Å; A201-H204 PolarHBondContact O-N 3.19Å; I202-H204 VanDerWaalsContact C-N 3.29Å; I202-H204 PolarHBondContact O-N 3.35Å; H204-D206 PolarHBondContact O-N 3.42Å
205Q98.7Very high98.6Very high150 Ų15050.8 Ų50.870%0.70126%0.26SS*.THydrogen-bonded Turntrans57.931.4-178.2-54.7173.316.600113A114 A201 I202 R203 G207A114-Q205 WeakPolarHBondContact O-CA 3.48Å; A201-Q205 PolarHBondContact O-N 3.13Å; A201-Q205 VanDerWaalsContact O-N 3.14Å; I202-Q205 PolarHBondContact O-N 3Å; R203-Q205 VanDerWaalsContact C-N 3.29Å; Q205-G207 PolarHBondContact O-N 2.9Å
206D98.8Very high98.5Very high76 Ų7653.2 Ų53.241%0.40628%0.275SS..  trans-95.994.5178.6-171.1-23.2000109.6A201 H204 D208 A209 A210A201-D206 PolarHBondContact O-N 3.34Å; H204-D206 PolarHBondContact O-N 3.42Å; D206-D208 VanDerWaalsContact C-N 3.35Å; D206-D208 PolarHBondContact O-N 3.39Å; D206-D208 PolarHBondContact OD1-N 3.2Å; D206-A209 HydrophobicContact CB-CB 3.92Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 WeakPolarHBondContact OD1-CB 3.32Å; D206-A209 PolarHBondContact OD1-N 2.87Å; D206-A210 WeakPolarHBondContact O-CB 3.43Å; D206-A210 PolarHBondContact O-N 3.37Å
207G98.7Very high98.3Very high8 Ų848.6 Ų48.68%0.08226%0.255CS..Hα-helixtrans-63.4-37.3-178.200000113.7Q205 A210 E211Q205-G207 PolarHBondContact O-N 2.9Å; G207-A210 PolarHBondContact O-N 3.41Å; G207-E211 WeakPolarHBondContact O-CB 3.47Å; G207-E211 PolarHBondContact O-N 2.98Å
208D98.7Very high98Very high103 Ų10346.3 Ų46.355%0.55124%0.236SC*.Hα-helixtrans-70.4-42.4-179.3-66.4-14.3000110.2R111 D206 A210 Q212R111-D208 IonicContact CZ-OD1 3.62Å; R111-D208 IonicContact NH1-OD1 2.77Å; R111-D208 PolarHBondContact NH1-OD1 3.4Å; R111-D208 IonicContact NH2-OD1 3.56Å; R111-D208 PolarHBondContact NH2-OD1 2.87Å; D206-D208 VanDerWaalsContact C-N 3.35Å; D206-D208 PolarHBondContact O-N 3.39Å; D206-D208 PolarHBondContact OD1-N 3.2Å; D208-A210 VanDerWaalsContact C-N 3.35Å; D208-A210 PolarHBondContact O-N 3.44Å; D208-Q212 WeakPolarHBondContact O-CB 3.32Å; D208-Q212 PolarHBondContact O-N 2.91Å
209A98.7Very high97.7Very high37 Ų3749 Ų4931%0.30626%0.259SS..Hα-helixtrans-65.4-37.2175.400000112.3A201 D206 Q212 A213A201-A209 HydrophobicContact CB-CB 3.74Å; D206-A209 HydrophobicContact CB-CB 3.92Å; D206-A209 PolarHBondContact O-N 3.12Å; D206-A209 WeakPolarHBondContact OD1-CB 3.32Å; D206-A209 PolarHBondContact OD1-N 2.87Å; A209-Q212 PolarHBondContact O-N 2.91Å; A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.75Å
210A98.8Very high97.3Very high0 Ų049 Ų490%026%0.26CS..Hα-helixtrans-67.4-43.8179.100000111.4A110 A114 L198 A201 I202 D206 G207 D208 Q212 A213 A214A110-A210 HydrophobicContact CB-CB 4.27Å; A110-A210 WeakPolarHBondContact CB-O 3.4Å; A110-A210 WeakPolarHBondContact O-CB 3.5Å; A114-A210 HydrophobicContact CB-CB 3.88Å; L198-A210 HydrophobicContact CD1-CB 4.01Å; L198-A210 WeakPolarHBondContact CD1-O 2.77Å; A201-A210 HydrophobicContact CB-CB 3.81Å; I202-A210 HydrophobicContact CG1-CB 4.24Å; D206-A210 WeakPolarHBondContact O-CB 3.43Å; D206-A210 PolarHBondContact O-N 3.37Å; G207-A210 PolarHBondContact O-N 3.41Å; D208-A210 VanDerWaalsContact C-N 3.35Å; D208-A210 PolarHBondContact O-N 3.44Å; A210-Q212 VanDerWaalsContact C-N 3.35Å; A210-Q212 PolarHBondContact O-N 3.22Å; A210-A213 PolarHBondContact O-N 2.83Å; A210-A214 PolarHBondContact O-N 3.35Å
211E98.7Very high96.8Very high69 Ų6947.7 Ų47.732%0.32225%0.254SS..Hα-helixtrans-57.5-47.9174-169.2177.4151.100111.2P107 R111 G207 A213 A214 L215P107-E211 HydrophobicContact CB-CG 3.64Å; R111-E211 HydrophobicContact CB-CB 4.38Å; R111-E211 IonicContact NH1-OE2 3.41Å; R111-E211 PolarHBondContact NH1-OE2 3.22Å; G207-E211 WeakPolarHBondContact O-CB 3.47Å; G207-E211 PolarHBondContact O-N 2.98Å; E211-A213 PolarHBondContact O-N 2.86Å; E211-A214 PolarHBondContact O-N 3.39Å; E211-L215 WeakPolarHBondContact O-CG 3.35Å; E211-L215 PolarHBondContact O-N 2.86Å
212Q98.6Very high96.2Very high115 Ų11548.1 Ų48.154%0.53726%0.256SS..Hα-helixtrans-66.1-37179.6-173.557.646.900112.9D208 A209 A210 L215 T216D208-Q212 WeakPolarHBondContact O-CB 3.32Å; D208-Q212 PolarHBondContact O-N 2.91Å; A209-Q212 PolarHBondContact O-N 2.91Å; A210-Q212 VanDerWaalsContact C-N 3.35Å; A210-Q212 PolarHBondContact O-N 3.22Å; Q212-L215 PolarHBondContact O-N 3.46Å; Q212-T216 PolarHBondContact O-N 3.18Å; Q212-T216 PolarHBondContact O-OG1 2.87Å
213A98.6Very high95.5Very high12 Ų1253.2 Ų53.210%0.09928%0.275CS..Hα-helixtrans-63.5-44.7175.400000111.1L198 A209 A210 E211 T216 M217L198-A213 HydrophobicContact CB-CB 3.84Å; L198-A213 HydrophobicContact CD1-CB 4.29Å; A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 2.75Å; A210-A213 PolarHBondContact O-N 2.83Å; E211-A213 PolarHBondContact O-N 2.86Å; A213-T216 WeakPolarHBondContact O-CB 3.5Å; A213-T216 PolarHBondContact O-N 2.97Å; A213-M217 WeakPolarHBondContact O-CG 3.28Å; A213-M217 PolarHBondContact O-N 2.96Å
214A97.8Very high94.9Very high4 Ų449.2 Ų49.23%0.03326%0.26CS..Hα-helixtrans-61.9-44.7176.100000112.4A110 A210 E211 T216 M217 I218A110-A214 HydrophobicContact CB-CB 3.7Å; A210-A214 PolarHBondContact O-N 3.35Å; E211-A214 PolarHBondContact O-N 3.39Å; A214-T216 VanDerWaalsContact C-N 3.26Å; A214-T216 PolarHBondContact O-N 3.43Å; A214-M217 PolarHBondContact O-N 3Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.46Å; A214-I218 PolarHBondContact O-N 3.37Å
215L97.6Very high93.9Very high54 Ų5443.7 Ų43.728%0.28323%0.234SC..Hα-helixtrans-57.9-40.4174.9-73.4170.6000112.1P107 E211 Q212 I218 A219P107-L215 HydrophobicContact CB-CD2 4.23Å; P107-L215 HydrophobicContact CB-CG 4.14Å; P107-L215 HydrophobicContact CG-CD2 3.53Å; P107-L215 HydrophobicContact CG-CG 3.88Å; E211-L215 WeakPolarHBondContact O-CG 3.35Å; E211-L215 PolarHBondContact O-N 2.86Å; Q212-L215 PolarHBondContact O-N 3.46Å; L215-I218 PolarHBondContact O-N 3.45Å; L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.95Å
216T97.1Very high92.9Very high58 Ų5842.5 Ų42.536%0.35623%0.227SC..Hα-helixtrans-64.7-46.5178-55.30000111.2E194 Q212 A213 A214 I218 A219 S220E194-T216 HydrophobicContact CG-CG2 4.44Å; Q212-T216 PolarHBondContact O-N 3.18Å; Q212-T216 PolarHBondContact O-OG1 2.87Å; A213-T216 WeakPolarHBondContact O-CB 3.5Å; A213-T216 PolarHBondContact O-N 2.97Å; A214-T216 VanDerWaalsContact C-N 3.26Å; A214-T216 PolarHBondContact O-N 3.43Å; T216-I218 PolarHBondContact O-N 3.46Å; T216-A219 PolarHBondContact O-N 3.03Å; T216-S220 PolarHBondContact O-N 3.38Å; T216-S220 PolarHBondContact O-OG 3.45Å
217M94.5Very high91.8Very high10 Ų1044.8 Ų44.85%0.04924%0.235CC..Hα-helixtrans-59.6-43.8175.8-70.5172.368.700112.4H150 E194 H195 L198 A213 A214 S220 S221H150-M217 VanDerWaalsContact CE1-CE 3.49Å; H150-M217 WeakPolarHBondContact CE1-CE 3.37Å; E194-M217 HydrophobicContact CB-CG 3.61Å; H195-M217 WeakPolarHBondContact CD2-CE 3.34Å; H195-M217 VanDerWaalsContact CE1-CE 3.47Å; H195-M217 WeakPolarHBondContact CE1-CE 3.13Å; H195-M217 WeakPolarHBondContact NE2-CE 3.48Å; L198-M217 HydrophobicContact CB-SD 4.09Å; L198-M217 HydrophobicContact CD2-SD 3.79Å; A213-M217 WeakPolarHBondContact O-CG 3.28Å; A213-M217 PolarHBondContact O-N 2.96Å; A214-M217 PolarHBondContact O-N 3Å; M217-S220 PolarHBondContact O-N 2.85Å; M217-S221 WeakPolarHBondContact O-CB 3.27Å; M217-S221 PolarHBondContact O-N 3.34Å; M217-S221 PolarHBondContact O-OG 3.15Å
218I92.2Very high90.4Very high0 Ų047.6 Ų47.60%025%0.247CC..Hα-helixtrans-63.7-44.6177.5-65.6163.4000110.1R102 N103 E106 P107 A214 L215 T216 S220 S221 T222R102-I218 HydrophobicContact CB-CD1 4.32Å; R102-I218 HydrophobicContact CB-CG1 4.43Å; R102-I218 HydrophobicContact CB-CG2 4.43Å; N103-I218 VanDerWaalsContact ND2-CG2 3.32Å; N103-I218 WeakPolarHBondContact ND2-CG2 3.33Å; E106-I218 HydrophobicContact CB-CD1 3.87Å; E106-I218 WeakPolarHBondContact OE2-CG1 3.33Å; P107-I218 HydrophobicContact CG-CD1 4.21Å; A214-I218 VanDerWaalsContact O-CG1 3.29Å; A214-I218 WeakPolarHBondContact O-CG1 3.46Å; A214-I218 PolarHBondContact O-N 3.37Å; L215-I218 PolarHBondContact O-N 3.45Å; T216-I218 PolarHBondContact O-N 3.46Å; I218-S220 PolarHBondContact O-N 3.22Å; I218-S221 WeakPolarHBondContact CA-OG 3.34Å; I218-S221 PolarHBondContact O-N 2.88Å; I218-S221 PolarHBondContact O-OG 3.12Å; I218-S221 VanDerWaalsContact O-OG 3.1Å; I218-T222 WeakPolarHBondContact O-CB 3.45Å; I218-T222 PolarHBondContact O-N 3.21Å; I218-T222 PolarHBondContact O-OG1 3.1Å
219A92.1Very high88.3Confident60 Ų6047.4 Ų47.450%0.49625%0.25SS..Hα-helixtrans-61.1-45.5177.300000111.9L215 T216 T222 R223L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.95Å; T216-A219 PolarHBondContact O-N 3.03Å; A219-T222 PolarHBondContact O-N 3.32Å; A219-R223 WeakPolarHBondContact O-CB 3.12Å; A219-R223 PolarHBondContact O-N 3.48Å
220S90.9Very high87.8Confident9 Ų948 Ų486%0.06325%0.247CC..Hα-helixtrans-63.8-43.8177.4-75.60000113Q190 E194 T216 M217 I218 R224Q190-S220 PolarHBondContact NE2-OG 3.04Å; E194-S220 VanDerWaalsContact OE1-CB 3.28Å; E194-S220 WeakPolarHBondContact OE1-CB 3.49Å; E194-S220 PolarHBondContact OE1-OG 2.88Å; E194-S220 WeakPolarHBondContact OE2-CB 3.5Å; T216-S220 PolarHBondContact O-N 3.38Å; T216-S220 PolarHBondContact O-OG 3.45Å; M217-S220 PolarHBondContact O-N 2.85Å; I218-S220 PolarHBondContact O-N 3.22Å; S220-R224 WeakPolarHBondContact O-CG 3.49Å; S220-R224 PolarHBondContact O-N 3.02Å; S220-R224 VanDerWaalsContact O-N 3.15Å; S220-R224 PolarHBondContact O-NE 3.06Å
221S87.8Confident87.2Confident4 Ų450.5 Ų50.53%0.02826%0.26CS..Hα-helixtrans-69.4-40.3176.556.50000112.4R102 T180 M217 I218 R223 R224 L225R102-S221 PolarHBondContact NH1-OG 3.18Å; T180-S221 WeakPolarHBondContact CG2-O 3.23Å; M217-S221 WeakPolarHBondContact O-CB 3.27Å; M217-S221 PolarHBondContact O-N 3.34Å; M217-S221 PolarHBondContact O-OG 3.15Å; I218-S221 WeakPolarHBondContact CA-OG 3.34Å; I218-S221 PolarHBondContact O-N 2.88Å; I218-S221 PolarHBondContact O-OG 3.12Å; I218-S221 VanDerWaalsContact O-OG 3.1Å; S221-R223 PolarHBondContact O-N 3.03Å; S221-R224 PolarHBondContact O-N 3.14Å; S221-L225 WeakPolarHBondContact O-CB 3.48Å; S221-L225 PolarHBondContact O-N 3.47Å
222T85Confident86.5Confident17 Ų1749.4 Ų49.410%0.10426%0.257CS..Hα-helixtrans-63-41.2176.2-580000111.6I218 A219 L225 K226I218-T222 WeakPolarHBondContact O-CB 3.45Å; I218-T222 PolarHBondContact O-N 3.21Å; I218-T222 PolarHBondContact O-OG1 3.1Å; A219-T222 PolarHBondContact O-N 3.32Å; T222-L225 PolarHBondContact O-N 2.65Å; T222-K226 HydrophobicContact CG2-CD 4.43Å; T222-K226 WeakPolarHBondContact O-CG 3.44Å; T222-K226 PolarHBondContact O-N 2.84Å; T222-K226 VanDerWaalsContact O-N 3.11Å
223R85.7Confident85.8Confident109 Ų10945.6 Ų45.641%0.41124%0.24SC..Hα-helixtrans-60.3-51.3174.7176.217558.2112-1.3111.2A219 S221 L225 K226 E227A219-R223 WeakPolarHBondContact O-CB 3.12Å; A219-R223 PolarHBondContact O-N 3.48Å; S221-R223 PolarHBondContact O-N 3.03Å; R223-L225 VanDerWaalsContact C-N 3.29Å; R223-L225 PolarHBondContact O-N 3.08Å; R223-K226 PolarHBondContact O-N 2.96Å; R223-K226 VanDerWaalsContact O-N 3.13Å; R223-E227 VanDerWaalsContact CG-OE1 3.29Å; R223-E227 WeakPolarHBondContact CG-OE1 3.39Å; R223-E227 WeakPolarHBondContact O-CG 3.24Å; R223-E227 PolarHBondContact O-N 2.98Å
224R84.8Confident85Confident20 Ų2047.7 Ų47.78%0.07525%0.249CC..Hα-helixtrans-56.3-43.3176.6-75.6179.1-78179.8-16112T180 T191 S220 S221 K226 E227 I228T180-R224 HydrophobicContact CG2-CB 3.99Å; T180-R224 PolarHBondContact O-NH1 3.4Å; T180-R224 VanDerWaalsContact O-NH1 3.12Å; T191-R224 PolarHBondContact OG1-NH1 3.1Å; T191-R224 PolarHBondContact OG1-NH2 3.24Å; S220-R224 WeakPolarHBondContact O-CG 3.49Å; S220-R224 PolarHBondContact O-N 3.02Å; S220-R224 VanDerWaalsContact O-N 3.15Å; S220-R224 PolarHBondContact O-NE 3.06Å; S221-R224 PolarHBondContact O-N 3.14Å; R224-K226 VanDerWaalsContact C-N 3.3Å; R224-K226 PolarHBondContact O-N 3.3Å; R224-E227 PolarHBondContact O-N 3.22Å; R224-E227 VanDerWaalsContact O-N 3.15Å; R224-I228 WeakPolarHBondContact O-CD1 3.44Å; R224-I228 WeakPolarHBondContact O-CG1 3.39Å; R224-I228 PolarHBondContact O-N 2.92Å
225L79Confident84.2Confident2 Ų250.6 Ų50.61%0.0126%0.264CS..Hα-helixtrans-63.8-35.8-179.6-16759.5000112.4Y90 I95 V176 R179 T180 S221 T222 R223 T229Y90-L225 HydrophobicContact CE1-CD1 3.94Å; I95-L225 HydrophobicContact CB-CD2 4.26Å; I95-L225 HydrophobicContact CD1-CD2 4.45Å; I95-L225 HydrophobicContact CD1-CG 4.08Å; I95-L225 HydrophobicContact CG1-CD2 4.01Å; I95-L225 HydrophobicContact CG1-CG 4.19Å; I95-L225 HydrophobicContact CG2-CB 4.47Å; I95-L225 HydrophobicContact CG2-CD2 3.47Å; I95-L225 VanDerWaalsContact CG2-CD2 3.47Å; I95-L225 HydrophobicContact CG2-CG 3.85Å; V176-L225 HydrophobicContact CG1-CD2 4.38Å; V176-L225 HydrophobicContact CG2-CD2 4.22Å; R179-L225 HydrophobicContact CB-CD1 3.8Å; R179-L225 HydrophobicContact CG-CD1 4.46Å; T180-L225 HydrophobicContact CG2-CB 3.9Å; T180-L225 HydrophobicContact CG2-CD1 4.18Å; S221-L225 WeakPolarHBondContact O-CB 3.48Å; S221-L225 PolarHBondContact O-N 3.47Å; T222-L225 PolarHBondContact O-N 2.65Å; R223-L225 VanDerWaalsContact C-N 3.29Å; R223-L225 PolarHBondContact O-N 3.08Å; L225-T229 WeakPolarHBondContact O-CG2 3.42Å
226K76.9Confident83.2Confident125 Ų12550.4 Ų50.454%0.54326%0.262SS..Hα-helixtrans-75.7-20.5174.6-70.3176.9-179.31800114.3T222 R223 R224 T229T222-K226 HydrophobicContact CG2-CD 4.43Å; T222-K226 WeakPolarHBondContact O-CG 3.44Å; T222-K226 PolarHBondContact O-N 2.84Å; T222-K226 VanDerWaalsContact O-N 3.11Å; R223-K226 PolarHBondContact O-N 2.96Å; R223-K226 VanDerWaalsContact O-N 3.13Å; R224-K226 VanDerWaalsContact C-N 3.3Å; R224-K226 PolarHBondContact O-N 3.3Å; K226-T229 PolarHBondContact O-OG1 3.06Å
227E75.8Confident82.2Confident124 Ų12449.8 Ų49.858%0.57926%0.255SS*.Hα-helixtrans-83.1-17.1177.4-73.4170.1-176.600112.2R223 R224R223-E227 VanDerWaalsContact CG-OE1 3.29Å; R223-E227 WeakPolarHBondContact CG-OE1 3.39Å; R223-E227 WeakPolarHBondContact O-CG 3.24Å; R223-E227 PolarHBondContact O-N 2.98Å; R224-E227 PolarHBondContact O-N 3.22Å; R224-E227 VanDerWaalsContact O-N 3.15Å
228I69Low81.1Confident68 Ų6853.1 Ų53.135%0.34927%0.272SS..  trans-87.8-19.8176.1-55.6156.5000111.7Y90 R179 R224Y90-I228 HydrophobicContact CE2-CG2 3.87Å; Y90-I228 WeakPolarHBondContact OH-CG2 3.45Å; R179-I228 HydrophobicContact CB-CD1 4.32Å; R179-I228 WeakPolarHBondContact O-CD1 3.38Å; R224-I228 WeakPolarHBondContact O-CD1 3.44Å; R224-I228 WeakPolarHBondContact O-CG1 3.39Å; R224-I228 PolarHBondContact O-N 2.92Å
229T54.5Low80.1Confident99 Ų9957.9 Ų57.961%0.60730%0.297SS*.  trans-78.20175.263.50000112Y90 I95 L225 K226Y90-T229 HydrophobicContact CD1-CG2 3.41Å; Y90-T229 VanDerWaalsContact CD1-CG2 3.41Å; Y90-T229 HydrophobicContact CD2-CG2 4.4Å; Y90-T229 HydrophobicContact CE1-CG2 4.1Å; Y90-T229 HydrophobicContact CG-CG2 3.55Å; I95-T229 HydrophobicContact CD1-CG2 3.56Å; L225-T229 WeakPolarHBondContact O-CG2 3.42Å; K226-T229 PolarHBondContact O-OG1 3.06Å

Retrieved 229 of 229 residues in 72.3 ms (Link to these results)

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