A0A096MM60_PAPAN Loading...

Protein fem-1 homolog C

Substrate-recognition component of a Cul2-RING (CRL2) E3 ubiquitin-protein ligase complex of the DesCEND (destruction via C-end degrons) pathway, which recognizes a C-degron located at the extreme C terminus of target proteins, leading to their ubiquitination and degradation. The C-degron recognized by the DesCEND pathway is usually a motif of less than ten residues and can be present in full-length proteins, truncated proteins or proteolytically cleaved forms. The CRL2(FEM1C) complex specifically recognizes proteins with an arginine at the C-terminus: recognizes and binds proteins ending with -Lys/Arg-Xaa-Arg and -Lys/Arg-Xaa-Xaa-Arg C-degrons, such as SIL1 or OR51B2, leading to their ubiquitination and degradation. The CRL2(FEM1C) complex mediates ubiquitination and degradation of truncated MSRB1/SEPX1 selenoproteins produced by failed UGA/Sec decoding. Promotes ubiquitination and degradation of SLBP.

AlphaFold DB (Q96JP0), UniProt , Accession A0A096MM60, Species PAPAN (Papio anubis, Olive baboon), Gene FEM1C, Length 617 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
1M64Low91.8Very high173 Ų17343.1 Ų43.185%0.85222%0.224SC*.  01290-172.8-179.9-69.400106.4T5 A6 N9M1-T5 HydrophobicContact CG-CG2 3.75Å; M1-T5 HydrophobicContact SD-CG2 3.92Å; M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.94Å; M1-N9 PolarHBondContact SD-ND2 3.44Å; M1-N9 VanDerWaalsContact SD-ND2 3.44Å
2D90.5Very high92.3Very high95 Ų9546.2 Ų46.251%0.50823%0.231SC..  trans-63.4156.9173.563.141.9000110.6K4 T5 A6D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.42Å; D2-T5 PolarHBondContact O-N 3.01Å; D2-T5 WeakPolarHBondContact OD1-CA 3.49Å; D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.43Å; D2-T5 PolarHBondContact OD1-OG1 2.79Å; D2-T5 PolarHBondContact OD2-OG1 3.43Å; D2-A6 PolarHBondContact O-N 3.16Å; D2-A6 VanDerWaalsContact O-N 3.08Å
3L91.8Very high92.7Very high57 Ų5747.3 Ų47.330%0.29824%0.238SC..Hα-helixtrans-62.8-37.7-175.1-179.460.8000112A6 V7 L22 K26 L34L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; L3-V7 HydrophobicContact CD1-CG2 4.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 2.86Å; L3-L22 HydrophobicContact CD1-CB 4.14Å; L3-L22 HydrophobicContact CD1-CD2 3.91Å; L3-L22 HydrophobicContact CD1-CG 4.46Å; L3-K26 VanDerWaalsContact CD2-CE 3.46Å; L3-L34 HydrophobicContact CD2-CD1 3.7Å; L3-L34 HydrophobicContact CD2-CD2 4.18Å; L3-L34 HydrophobicContact CG-CD1 4.21Å; L3-L34 HydrophobicContact CG-CD2 4.16Å
4K91.9Very high93.1Very high59 Ų5945.4 Ų45.426%0.25724%0.237SC..Hα-helixtrans-57.4-49.8177.1178.6-158.5-178132.90111.9D2 A6 V7 F8 E37 K38 T39D2-K4 VanDerWaalsContact C-N 3.29Å; D2-K4 PolarHBondContact O-N 3.42Å; K4-A6 VanDerWaalsContact C-N 3.29Å; K4-A6 PolarHBondContact O-N 2.97Å; K4-V7 PolarHBondContact O-N 2.98Å; K4-F8 WeakPolarHBondContact O-CB 3.35Å; K4-F8 PolarHBondContact O-N 3.05Å; K4-E37 WeakPolarHBondContact CD-OE2 3.4Å; K4-E37 WeakPolarHBondContact CE-OE2 3.49Å; K4-E37 HydrophobicContact CG-CB 4.31Å; K4-E37 WeakPolarHBondContact CG-OE2 3.47Å; K4-E37 IonicContact NZ-OE2 2.77Å; K4-E37 PolarHBondContact NZ-OE2 3.22Å; K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 2.81Å; K4-T39 WeakPolarHBondContact CE-OG1 3.26Å
5T94.1Very high93.4Very high35 Ų3549.2 Ų49.222%0.21525%0.25CS..Hα-helixtrans-66.5-35.2178.7-59.60000110.4M1 D2 N9M1-T5 HydrophobicContact CG-CG2 3.75Å; M1-T5 HydrophobicContact SD-CG2 3.92Å; D2-T5 PolarHBondContact O-N 3.01Å; D2-T5 WeakPolarHBondContact OD1-CA 3.49Å; D2-T5 WeakPolarHBondContact OD1-CB 3.31Å; D2-T5 PolarHBondContact OD1-N 3.43Å; D2-T5 PolarHBondContact OD1-OG1 2.79Å; D2-T5 PolarHBondContact OD2-OG1 3.43Å; T5-N9 WeakPolarHBondContact CG2-ND2 3.4Å; T5-N9 VanDerWaalsContact O-CB 3.26Å; T5-N9 WeakPolarHBondContact O-CB 3.39Å; T5-N9 PolarHBondContact O-N 3.37Å; T5-N9 PolarHBondContact O-ND2 3.02Å; T5-N9 VanDerWaalsContact O-ND2 3.15Å
6A95.1Very high93.6Very high17 Ų1748.6 Ų48.614%0.1425%0.248CC..Hα-helixtrans-66-44.517500000112.4M1 D2 L3 K4 N9 A10 L22M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.94Å; D2-A6 PolarHBondContact O-N 3.16Å; D2-A6 VanDerWaalsContact O-N 3.08Å; L3-A6 WeakPolarHBondContact O-CB 3.43Å; L3-A6 PolarHBondContact O-N 3.23Å; K4-A6 VanDerWaalsContact C-N 3.29Å; K4-A6 PolarHBondContact O-N 2.97Å; A6-N9 PolarHBondContact O-N 3.21Å; A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.85Å; A6-L22 HydrophobicContact CB-CD1 3.8Å; A6-L22 HydrophobicContact CB-CD2 4.49Å
7V95.6Very high93.8Very high0 Ų058.6 Ų58.60%028%0.282CS..Hα-helixtrans-60.2-49.2174.1162.90000110.7L3 K4 N9 A10 A11 L19 L22 L23 P44L3-V7 HydrophobicContact CD1-CG2 4.4Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 2.86Å; K4-V7 PolarHBondContact O-N 2.98Å; V7-N9 PolarHBondContact O-N 2.82Å; V7-A10 PolarHBondContact O-N 3.32Å; V7-A11 PolarHBondContact O-N 3.4Å; V7-L19 HydrophobicContact CB-CD1 4.09Å; V7-L19 HydrophobicContact CG1-CD1 3.71Å; V7-L19 HydrophobicContact CG2-CD1 4.03Å; V7-L22 HydrophobicContact CG2-CB 4.42Å; V7-L22 HydrophobicContact CG2-CD1 4.37Å; V7-L23 HydrophobicContact CG2-CD2 4.06Å; V7-P44 HydrophobicContact CG1-CB 4.46Å; V7-P44 HydrophobicContact CG1-CG 3.8Å
8F96Very high94Very high9 Ų959.7 Ų59.74%0.03929%0.289CS..Hα-helixtrans-57.5-49.9176.5174.2-94.5000112.4K4 A10 A11 R12 T39 A42 M47K4-F8 WeakPolarHBondContact O-CB 3.35Å; K4-F8 PolarHBondContact O-N 3.05Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.26Å; F8-A11 PolarHBondContact O-N 2.7Å; F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.61Å; F8-T39 HydrophobicContact CB-CG2 4.34Å; F8-T39 HydrophobicContact CD1-CG2 3.89Å; F8-T39 HydrophobicContact CD2-CG2 4.35Å; F8-T39 HydrophobicContact CE1-CG2 4.25Å; F8-T39 VanDerWaalsContact CE2-O 3.26Å; F8-T39 WeakPolarHBondContact CE2-O 3.12Å; F8-T39 HydrophobicContact CG-CG2 3.94Å; F8-A42 HydrophobicContact CE2-CB 3.96Å; F8-A42 WeakPolarHBondContact CE2-O 3.37Å; F8-M47 HydrophobicContact CD2-CG 4.1Å; F8-M47 HydrophobicContact CE2-CG 3.34Å; F8-M47 HydrophobicContact CE2-SD 4.14Å; F8-M47 HydrophobicContact CZ-CG 3.65Å; F8-M47 HydrophobicContact CZ-SD 3.96Å
9N96.6Very high94.1Very high28 Ų2856.5 Ų56.515%0.1527%0.273CS..Hα-helixtrans-65.5-37.4179.5-74-29.9000111.8M1 T5 A6 V7 R12 D13M1-N9 PolarHBondContact SD-ND2 3.44Å; M1-N9 VanDerWaalsContact SD-ND2 3.44Å; T5-N9 WeakPolarHBondContact CG2-ND2 3.4Å; T5-N9 VanDerWaalsContact O-CB 3.26Å; T5-N9 WeakPolarHBondContact O-CB 3.39Å; T5-N9 PolarHBondContact O-N 3.37Å; T5-N9 PolarHBondContact O-ND2 3.02Å; T5-N9 VanDerWaalsContact O-ND2 3.15Å; A6-N9 PolarHBondContact O-N 3.21Å; V7-N9 PolarHBondContact O-N 2.82Å; N9-R12 PolarHBondContact O-N 3.46Å; N9-R12 PolarHBondContact OD1-NH1 3.32Å; N9-R12 VanDerWaalsContact OD1-NH1 3.13Å; N9-R12 PolarHBondContact OD1-NH2 3.4Å; N9-D13 WeakPolarHBondContact O-CB 3.3Å; N9-D13 PolarHBondContact O-N 3.45Å
10A97.3Very high94.2Very high1 Ų156.3 Ų56.31%0.00828%0.275CS..Hα-helixtrans-62.9-43.4176.600000111.4A6 V7 F8 G14 K15 L18 L19 M56A6-A10 VanDerWaalsContact O-CB 3.29Å; A6-A10 WeakPolarHBondContact O-CB 3.45Å; A6-A10 PolarHBondContact O-N 2.85Å; V7-A10 PolarHBondContact O-N 3.32Å; F8-A10 VanDerWaalsContact C-N 3.34Å; F8-A10 PolarHBondContact O-N 3.26Å; A10-G14 PolarHBondContact O-N 3.36Å; A10-G14 VanDerWaalsContact O-N 3.11Å; A10-K15 HydrophobicContact CB-CB 4.42Å; A10-K15 PolarHBondContact O-N 3.12Å; A10-L18 HydrophobicContact CB-CB 4.48Å; A10-L18 HydrophobicContact CB-CD2 4.2Å; A10-L18 HydrophobicContact CB-CG 4.29Å; A10-L19 HydrophobicContact CB-CB 4.01Å; A10-L19 HydrophobicContact CB-CD1 4.43Å; A10-M56 WeakPolarHBondContact O-CE 3.33Å
11A97.4Very high94.3Very high0 Ų061.4 Ų61.40%030%0.296CS..Hα-helixtrans-66.3-44.2176.300000112.6V7 F8 D13 G14 P44 H53 M56 L60V7-A11 PolarHBondContact O-N 3.4Å; F8-A11 PolarHBondContact O-N 2.7Å; A11-D13 VanDerWaalsContact C-N 3.34Å; A11-D13 PolarHBondContact O-N 3.02Å; A11-G14 PolarHBondContact O-N 3.17Å; A11-P44 HydrophobicContact CB-CB 3.6Å; A11-P44 WeakPolarHBondContact CB-O 3.38Å; A11-H53 PolarHBondContact O-CD2 3.35Å; A11-H53 VanDerWaalsContact O-CD2 3.27Å; A11-M56 HydrophobicContact CB-CG 4.25Å; A11-M56 HydrophobicContact CB-SD 4.41Å; A11-L60 HydrophobicContact CB-CD1 4.43Å
12R97.3Very high95.8Very high80 Ų8055.1 Ų55.130%0.30227%0.266SS..Hα-helixtrans-59.7-42.2175.4-172.9-163.865.9-157.5-6.5112.7F8 N9 M47 Y51 H53F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.61Å; N9-R12 PolarHBondContact O-N 3.46Å; N9-R12 PolarHBondContact OD1-NH1 3.32Å; N9-R12 VanDerWaalsContact OD1-NH1 3.13Å; N9-R12 PolarHBondContact OD1-NH2 3.4Å; R12-M47 HydrophobicContact CB-CB 4.02Å; R12-M47 HydrophobicContact CB-CG 4.4Å; R12-M47 HydrophobicContact CG-CB 4.39Å; R12-Y51 HydrophobicContact CG-CD2 3.75Å; R12-Y51 HydrophobicContact CG-CE2 3.45Å; R12-Y51 VanDerWaalsContact CG-CE2 3.45Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 3.14Å
13D97.8Very high96Very high61 Ų6151.2 Ų51.233%0.32625%0.245SC..THydrogen-bonded Turntrans-88.81-175.5-62.2-3.9000113.2N9 A11 K15N9-D13 WeakPolarHBondContact O-CB 3.3Å; N9-D13 PolarHBondContact O-N 3.45Å; A11-D13 VanDerWaalsContact C-N 3.34Å; A11-D13 PolarHBondContact O-N 3.02Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 3.99Å; D13-K15 PolarHBondContact O-N 2.98Å; D13-K15 IonicContact OD2-NZ 3.05Å; D13-K15 PolarHBondContact OD2-NZ 3.27Å
14G97.7Very high96Very high21 Ų2152.5 Ų52.522%0.21626%0.264CS..THydrogen-bonded Turntrans70.121.2-179.600000114.3A10 A11 L16 H53A10-G14 PolarHBondContact O-N 3.36Å; A10-G14 VanDerWaalsContact O-N 3.11Å; A11-G14 PolarHBondContact O-N 3.17Å; G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.49Å; G14-H53 VanDerWaalsContact CA-CD2 3.45Å; G14-H53 WeakPolarHBondContact CA-CD2 3.35Å; G14-H53 VanDerWaalsContact CA-CG 3.43Å; G14-H53 PolarHBondContact N-CD2 3.4Å; G14-H53 VanDerWaalsContact N-CD2 3.34Å; G14-H53 PolarHBondContact N-NE2 2.89Å
15K97.9Very high95.9Very high102 Ų10254.5 Ų54.544%0.44329%0.286SS..  trans-8665.7-176.2-64.3173.6-178.6150.10111.9A10 D13 R17 L18 L19 M56A10-K15 HydrophobicContact CB-CB 4.42Å; A10-K15 PolarHBondContact O-N 3.12Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 HydrophobicContact CB-CD 3.97Å; D13-K15 HydrophobicContact CB-CG 3.99Å; D13-K15 PolarHBondContact O-N 2.98Å; D13-K15 IonicContact OD2-NZ 3.05Å; D13-K15 PolarHBondContact OD2-NZ 3.27Å; K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.34Å; K15-L18 HydrophobicContact CB-CB 3.94Å; K15-L18 HydrophobicContact CB-CD2 4.46Å; K15-L18 HydrophobicContact CD-CD2 4.24Å; K15-L18 WeakPolarHBondContact O-CA 3.19Å; K15-L18 WeakPolarHBondContact O-CB 3.48Å; K15-L18 PolarHBondContact O-N 3.18Å; K15-L19 PolarHBondContact O-N 3.45Å; K15-M56 VanDerWaalsContact C-CE 3.49Å
16L97.5Very high95.8Very high40 Ų4056 Ų5621%0.20929%0.289CS..Hα-helixtrans-56.4-41.1-174.6178.158.6000113.2G14 L18 L19 T20 D55 M56 F59G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.49Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.9Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-T20 HydrophobicContact CD1-CG2 4.05Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.98Å; L16-D55 HydrophobicContact CD2-CB 3.99Å; L16-M56 HydrophobicContact CB-CE 4.11Å; L16-M56 HydrophobicContact CB-SD 4.41Å; L16-M56 HydrophobicContact CD1-SD 4.07Å; L16-M56 VanDerWaalsContact N-CE 3.27Å; L16-F59 HydrophobicContact CD1-CB 3.6Å; L16-F59 HydrophobicContact CD1-CD1 3.56Å; L16-F59 HydrophobicContact CD1-CD2 4.02Å; L16-F59 HydrophobicContact CD1-CE1 4.24Å; L16-F59 HydrophobicContact CD1-CG 3.43Å; L16-F59 VanDerWaalsContact CD1-CG 3.43Å
17R97Very high95.8Very high218 Ų21857.5 Ų57.582%0.82330%0.299SS*.Hα-helixtrans-62.2-30.6175.7-67.6-176.2-175.9172.31.4113.6K15 T20 K21K15-R17 VanDerWaalsContact C-N 3.31Å; K15-R17 PolarHBondContact O-N 3.34Å; R17-T20 VanDerWaalsContact C-OG1 3.28Å; R17-T20 VanDerWaalsContact CA-OG1 3.29Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.01Å; R17-K21 VanDerWaalsContact O-CG 3.29Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.23Å
18L96.7Very high95.6Very high78 Ų7866.1 Ų66.141%0.40834%0.336SS..Hα-helixtrans-76.8-46.9175.7176.461.1000109.8A10 K15 L16 T20 K21 L22A10-L18 HydrophobicContact CB-CB 4.48Å; A10-L18 HydrophobicContact CB-CD2 4.2Å; A10-L18 HydrophobicContact CB-CG 4.29Å; K15-L18 HydrophobicContact CB-CB 3.94Å; K15-L18 HydrophobicContact CB-CD2 4.46Å; K15-L18 HydrophobicContact CD-CD2 4.24Å; K15-L18 WeakPolarHBondContact O-CA 3.19Å; K15-L18 WeakPolarHBondContact O-CB 3.48Å; K15-L18 PolarHBondContact O-N 3.18Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.9Å; L18-T20 PolarHBondContact O-N 3.45Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.27Å; L18-K21 VanDerWaalsContact O-N 3.17Å; L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD1-CG 4.2Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.86Å
19L96.4Very high95.4Very high0 Ų072.2 Ų72.20%037%0.365CS..Hα-helixtrans-57.2-49.5178.9-17867.4000111.5V7 A10 K15 L16 K21 L22 L23 M56 F59 L60V7-L19 HydrophobicContact CB-CD1 4.09Å; V7-L19 HydrophobicContact CG1-CD1 3.71Å; V7-L19 HydrophobicContact CG2-CD1 4.03Å; A10-L19 HydrophobicContact CB-CB 4.01Å; A10-L19 HydrophobicContact CB-CD1 4.43Å; K15-L19 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 3.42Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.25Å; L19-L22 WeakPolarHBondContact O-CB 3.41Å; L19-L22 PolarHBondContact O-N 3.29Å; L19-L23 HydrophobicContact CD1-CD1 3.93Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CD2-CD1 4.46Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; L19-M56 HydrophobicContact CB-SD 4.2Å; L19-M56 HydrophobicContact CD2-SD 3.36Å; L19-M56 WeakPolarHBondContact CD2-SD 3.41Å; L19-M56 HydrophobicContact CG-SD 4.4Å; L19-F59 HydrophobicContact CD2-CD1 3.87Å; L19-F59 HydrophobicContact CD2-CE1 3.79Å; L19-F59 HydrophobicContact CG-CE1 4.17Å; L19-L60 HydrophobicContact CD2-CD2 3.87Å; L19-L60 HydrophobicContact CD2-CG 4.32Å
20T95.9Very high95.2Very high51 Ų5174.7 Ų74.731%0.31338%0.375SS..Hα-helixtrans-55.2-43.4176.245.60000112.1L16 R17 L18 L23 A24 F59L16-T20 HydrophobicContact CD1-CG2 4.05Å; L16-T20 HydrophobicContact CG-CG2 4.42Å; L16-T20 WeakPolarHBondContact O-CB 3.31Å; L16-T20 WeakPolarHBondContact O-CG2 3.29Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 VanDerWaalsContact C-OG1 3.28Å; R17-T20 VanDerWaalsContact CA-OG1 3.29Å; R17-T20 WeakPolarHBondContact CA-OG1 3.29Å; R17-T20 PolarHBondContact O-OG1 3.01Å; L18-T20 PolarHBondContact O-N 3.45Å; T20-L23 PolarHBondContact O-N 2.95Å; T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.21Å; T20-F59 HydrophobicContact CG2-CD2 4.21Å; T20-F59 HydrophobicContact CG2-CE1 4.13Å; T20-F59 HydrophobicContact CG2-CE2 3.57Å; T20-F59 HydrophobicContact CG2-CZ 3.53Å
21K95.7Very high95.1Very high164 Ų16475.5 Ų75.571%0.71338%0.38SS*.Hα-helixtrans-64.1-40174.5-75.8178.6179.8-173.10113.2R17 L18 L19 L23R17-K21 VanDerWaalsContact O-CG 3.29Å; R17-K21 WeakPolarHBondContact O-CG 3.29Å; R17-K21 PolarHBondContact O-N 3.23Å; L18-K21 WeakPolarHBondContact O-CB 3.45Å; L18-K21 PolarHBondContact O-N 3.27Å; L18-K21 VanDerWaalsContact O-N 3.17Å; L19-K21 VanDerWaalsContact C-N 3.3Å; L19-K21 PolarHBondContact O-N 3.25Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 3.04Å
22L94.8Very high94.9Very high41 Ų4178.3 Ų78.322%0.21540%0.4CS..Hα-helixtrans-66.1-30.9178.5-69173.2000112.2L3 A6 V7 L18 L19L3-L22 HydrophobicContact CD1-CB 4.14Å; L3-L22 HydrophobicContact CD1-CD2 3.91Å; L3-L22 HydrophobicContact CD1-CG 4.46Å; A6-L22 HydrophobicContact CB-CD1 3.8Å; A6-L22 HydrophobicContact CB-CD2 4.49Å; V7-L22 HydrophobicContact CG2-CB 4.42Å; V7-L22 HydrophobicContact CG2-CD1 4.37Å; L18-L22 HydrophobicContact CD1-CD1 4.32Å; L18-L22 HydrophobicContact CD1-CG 4.2Å; L18-L22 HydrophobicContact CG-CD1 4.04Å; L18-L22 HydrophobicContact CG-CG 4.36Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 2.86Å; L19-L22 WeakPolarHBondContact O-CB 3.41Å; L19-L22 PolarHBondContact O-N 3.29Å
23L94.7Very high94.7Very high13 Ų1377.2 Ų77.27%0.06840%0.404CS..Hα-helixtrans-94.7-16.8-178.4-59.9179.9000113.7V7 L19 T20 K21 S25 K26 V31 L34 F59V7-L23 HydrophobicContact CG2-CD2 4.06Å; L19-L23 HydrophobicContact CD1-CD1 3.93Å; L19-L23 HydrophobicContact CD1-CG 4.2Å; L19-L23 HydrophobicContact CD2-CD1 4.46Å; L19-L23 HydrophobicContact CG-CD1 3.91Å; L19-L23 HydrophobicContact CG-CG 4.42Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; T20-L23 PolarHBondContact O-N 2.95Å; K21-L23 VanDerWaalsContact C-N 3.26Å; K21-L23 PolarHBondContact O-N 3.04Å; L23-S25 PolarHBondContact O-N 3Å; L23-S25 VanDerWaalsContact O-N 3.11Å; L23-K26 WeakPolarHBondContact O-CB 3.36Å; L23-K26 PolarHBondContact O-N 3.36Å; L23-V31 HydrophobicContact CB-CG2 4.23Å; L23-V31 HydrophobicContact CD1-CG1 4.25Å; L23-V31 HydrophobicContact CD2-CG2 4.27Å; L23-L34 HydrophobicContact CD2-CD1 4.06Å; L23-F59 HydrophobicContact CD1-CE1 4.16Å
24A91.9Very high94.5Very high84 Ų8475.3 Ų75.369%0.69439%0.394SS*.THydrogen-bonded Turntrans-57.7-30.7-171.900000114.9T20T20-A24 WeakPolarHBondContact O-CB 3.38Å; T20-A24 PolarHBondContact O-N 3.21Å
25S89.9Confident94.3Very high102 Ų10274.6 Ų74.671%0.71339%0.385SS*.THydrogen-bonded Turntrans-98.813.1-178.775.20000113.5L23L23-S25 PolarHBondContact O-N 3Å; L23-S25 VanDerWaalsContact O-N 3.11Å
26K93.3Very high94.1Very high66 Ų6672.9 Ų72.929%0.28739%0.386SS..SBendtrans-105.5145.8-171.5-60.9-57.8-176.8178.70111.9L3 L23 E30 V31 L34L3-K26 VanDerWaalsContact CD2-CE 3.46Å; L23-K26 WeakPolarHBondContact O-CB 3.36Å; L23-K26 PolarHBondContact O-N 3.36Å; K26-E30 VanDerWaalsContact CA-OE2 3.31Å; K26-E30 WeakPolarHBondContact CA-OE2 3.26Å; K26-E30 HydrophobicContact CB-CB 4.01Å; K26-E30 HydrophobicContact CD-CB 4.37Å; K26-E30 WeakPolarHBondContact CD-OE2 3.46Å; K26-E30 IonicContact NZ-OE1 2.88Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; K26-V31 HydrophobicContact CB-CG2 3.77Å; K26-L34 HydrophobicContact CG-CD1 4.44Å
27S93.6Very high93.9Very high49 Ų4974 Ų7434%0.34339%0.39SS..  trans-67162.4170.992.80000110.5E29 E30 V31S27-E29 WeakPolarHBondContact CB-OE2 3.45Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.06Å; S27-E30 PolarHBondContact N-OE2 3.47Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact OG-N 3.37Å; S27-V31 WeakPolarHBondContact O-CG2 3.4Å; S27-V31 PolarHBondContact O-N 2.91Å
28K91.2Very high93.8Very high180 Ų18068.3 Ų68.378%0.78337%0.371SS*.Hα-helixtrans-59.5-37.2177-71.9-174.3175.5-175.70111.8V31 S32K28-V31 PolarHBondContact O-N 3.19Å; K28-S32 WeakPolarHBondContact O-CB 3.48Å; K28-S32 PolarHBondContact O-N 3.2Å
29E92.2Very high93.6Very high138 Ų13865.3 Ų65.365%0.64536%0.356SS*.Hα-helixtrans-67.3-43.3177.3-56.572.4-154.900111.2S27 S32 S33S27-E29 WeakPolarHBondContact CB-OE2 3.45Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact OG-N 2.96Å; S27-E29 PolarHBondContact OG-OE2 3.06Å; E29-S32 PolarHBondContact O-N 3.03Å; E29-S33 WeakPolarHBondContact O-CB 3.24Å; E29-S33 PolarHBondContact O-N 3.42Å
30E93.9Very high93.4Very high80 Ų8072.2 Ų72.237%0.37439%0.393SS..Hα-helixtrans-62.7-43.5174.7-72.2-177111.300111.7K26 S27 S33 L34K26-E30 VanDerWaalsContact CA-OE2 3.31Å; K26-E30 WeakPolarHBondContact CA-OE2 3.26Å; K26-E30 HydrophobicContact CB-CB 4.01Å; K26-E30 HydrophobicContact CD-CB 4.37Å; K26-E30 WeakPolarHBondContact CD-OE2 3.46Å; K26-E30 IonicContact NZ-OE1 2.88Å; K26-E30 PolarHBondContact NZ-OE1 3.01Å; S27-E30 PolarHBondContact N-OE2 3.47Å; S27-E30 PolarHBondContact O-N 3.44Å; S27-E30 PolarHBondContact OG-N 3.37Å; E30-S33 PolarHBondContact O-N 3.43Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 2.92Å
31V94.1Very high93.3Very high18 Ų1870.9 Ų70.911%0.10939%0.39CS..Hα-helixtrans-60.2-49.7175.6172.40000110.3L23 K26 S27 K28 S33 L34 I35 C64L23-V31 HydrophobicContact CB-CG2 4.23Å; L23-V31 HydrophobicContact CD1-CG1 4.25Å; L23-V31 HydrophobicContact CD2-CG2 4.27Å; K26-V31 HydrophobicContact CB-CG2 3.77Å; S27-V31 WeakPolarHBondContact O-CG2 3.4Å; S27-V31 PolarHBondContact O-N 2.91Å; K28-V31 PolarHBondContact O-N 3.19Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.29Å; V31-L34 PolarHBondContact O-N 3.34Å; V31-I35 HydrophobicContact CG1-CD1 4.48Å; V31-I35 HydrophobicContact CG1-CG2 4.36Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 WeakPolarHBondContact O-CG2 3.41Å; V31-I35 PolarHBondContact O-N 3.38Å; V31-C64 HydrophobicContact CG1-CB 3.83Å
32S93.1Very high93.4Very high58 Ų5863.2 Ų63.241%0.40636%0.357SS..Hα-helixtrans-58.6-40.5178-173.40000112K28 E29 I35 S36K28-S32 WeakPolarHBondContact O-CB 3.48Å; K28-S32 PolarHBondContact O-N 3.2Å; E29-S32 PolarHBondContact O-N 3.03Å; S32-I35 WeakPolarHBondContact O-CG1 3.5Å; S32-S36 WeakPolarHBondContact O-CB 3.38Å; S32-S36 PolarHBondContact O-N 2.85Å; S32-S36 VanDerWaalsContact O-N 3.16Å; S32-S36 PolarHBondContact O-OG 3.2Å
33S93.1Very high93.5Very high58 Ų5861.5 Ų61.541%0.40635%0.348SS..Hα-helixtrans-61.9-54.2174.8-169.30000110.5E29 E30 V31 I35 S36 E37E29-S33 WeakPolarHBondContact O-CB 3.24Å; E29-S33 PolarHBondContact O-N 3.42Å; E30-S33 PolarHBondContact O-N 3.43Å; V31-S33 VanDerWaalsContact C-N 3.29Å; V31-S33 PolarHBondContact O-N 3.29Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.22Å; S33-S36 PolarHBondContact O-N 3.27Å; S33-S36 VanDerWaalsContact O-N 3.12Å; S33-S36 PolarHBondContact O-OG 2.95Å; S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.12Å
34L94.1Very high93.7Very high20 Ų2061 Ų6111%0.10535%0.345CS..Hα-helixtrans-60.8-38.1-175.3-73167.4000113.6L3 L23 K26 E30 V31L3-L34 HydrophobicContact CD2-CD1 3.7Å; L3-L34 HydrophobicContact CD2-CD2 4.18Å; L3-L34 HydrophobicContact CG-CD1 4.21Å; L3-L34 HydrophobicContact CG-CD2 4.16Å; L23-L34 HydrophobicContact CD2-CD1 4.06Å; K26-L34 HydrophobicContact CG-CD1 4.44Å; E30-L34 WeakPolarHBondContact O-CB 3.49Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.4Å; E30-L34 PolarHBondContact O-N 2.92Å; V31-L34 PolarHBondContact O-N 3.34Å
35I94.1Very high94Very high7 Ų757.1 Ų57.14%0.03631%0.313CS..Hα-helixtrans-80.6-21.4178.871-172.6000113.3V31 S32 S33 P44 L60 C64 A66V31-I35 HydrophobicContact CG1-CD1 4.48Å; V31-I35 HydrophobicContact CG1-CG2 4.36Å; V31-I35 WeakPolarHBondContact O-CG1 3.41Å; V31-I35 WeakPolarHBondContact O-CG2 3.41Å; V31-I35 PolarHBondContact O-N 3.38Å; S32-I35 WeakPolarHBondContact O-CG1 3.5Å; S33-I35 VanDerWaalsContact C-N 3.34Å; S33-I35 PolarHBondContact O-N 3.22Å; I35-P44 WeakPolarHBondContact O-CD 3.36Å; I35-L60 HydrophobicContact CB-CD2 4.49Å; I35-L60 HydrophobicContact CG2-CD2 3.89Å; I35-C64 HydrophobicContact CD1-CB 3.58Å; I35-C64 WeakPolarHBondContact CD1-O 3.08Å; I35-C64 HydrophobicContact CG2-CB 4.19Å; I35-A66 HydrophobicContact CD1-CB 3.92Å; I35-A66 HydrophobicContact CG1-CB 4.45Å
36S93.7Very high94.4Very high65 Ų6552.2 Ų52.246%0.45528%0.279SS..Hα-helixtrans-84.3-20.7178.171.10000112.3S32 S33S32-S36 WeakPolarHBondContact O-CB 3.38Å; S32-S36 PolarHBondContact O-N 2.85Å; S32-S36 VanDerWaalsContact O-N 3.16Å; S32-S36 PolarHBondContact O-OG 3.2Å; S33-S36 PolarHBondContact O-N 3.27Å; S33-S36 VanDerWaalsContact O-N 3.12Å; S33-S36 PolarHBondContact O-OG 2.95Å
37E92.5Very high94.6Very high64 Ų6449.4 Ų49.430%0.29927%0.267SS..  trans-68.9137.1-179.3-82.7-171.7-133.500113.5K4 S33K4-E37 WeakPolarHBondContact CD-OE2 3.4Å; K4-E37 WeakPolarHBondContact CE-OE2 3.49Å; K4-E37 HydrophobicContact CG-CB 4.31Å; K4-E37 WeakPolarHBondContact CG-OE2 3.47Å; K4-E37 IonicContact NZ-OE2 2.77Å; K4-E37 PolarHBondContact NZ-OE2 3.22Å; S33-E37 WeakPolarHBondContact O-CG 3.48Å; S33-E37 PolarHBondContact O-N 3.11Å; S33-E37 VanDerWaalsContact O-N 3.12Å
38K94.4Very high94.8Very high99 Ų9947 Ų4743%0.4325%0.251SS..  trans-88.7127.2174-68.4175.3175.7-177.50111K4 G41 A42 T43 G71K4-K38 WeakPolarHBondContact CE-O 3.44Å; K4-K38 PolarHBondContact NZ-O 2.81Å; K38-G41 WeakPolarHBondContact CD-O 3.34Å; K38-A42 VanDerWaalsContact CA-O 3.32Å; K38-A42 WeakPolarHBondContact CA-O 3.44Å; K38-T43 HydrophobicContact CG-CG2 4.02Å; K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.36Å
39T94Very high95.2Very high15 Ų1538.5 Ų38.59%0.09221%0.213CC..BIsolated β-bridgetrans-112.5127.8166.1-58.20000107.4K4 F8 G41 A42K4-T39 WeakPolarHBondContact CE-OG1 3.26Å; F8-T39 HydrophobicContact CB-CG2 4.34Å; F8-T39 HydrophobicContact CD1-CG2 3.89Å; F8-T39 HydrophobicContact CD2-CG2 4.35Å; F8-T39 HydrophobicContact CE1-CG2 4.25Å; F8-T39 VanDerWaalsContact CE2-O 3.26Å; F8-T39 WeakPolarHBondContact CE2-O 3.12Å; F8-T39 HydrophobicContact CG-CG2 3.94Å; T39-G41 PolarHBondContact O-N 3.2Å; T39-A42 PolarHBondContact N-O 3.14Å; T39-A42 PolarHBondContact O-N 3.41Å
40N90.4Very high95.4Very high144 Ų14434 Ų3477%0.7719%0.19SC*.THydrogen-bonded Turntrans50.637.6-171.3-57.8-22.6000113A42N40-A42 VanDerWaalsContact C-N 3.31Å; N40-A42 PolarHBondContact O-N 3.01Å
41G94.8Very high95.7Very high24 Ų2435 Ų3525%0.24719%0.192CC..THydrogen-bonded Turntrans81.4-4.9-18000000115.9K38 T39 G72 S73K38-G41 WeakPolarHBondContact CD-O 3.34Å; T39-G41 PolarHBondContact O-N 3.2Å; G41-G72 CarbonylContact O-C 3.45Å; G41-G72 WeakPolarHBondContact O-CA 3.3Å; G41-S73 PolarHBondContact O-N 3.16Å
42A97.2Very high95.9Very high2 Ų235.3 Ų35.32%0.01720%0.198CC..BIsolated β-bridgetrans-120.4146.8-174.800000114.2F8 K38 T39 N40 L46 M47F8-A42 HydrophobicContact CE2-CB 3.96Å; F8-A42 WeakPolarHBondContact CE2-O 3.37Å; K38-A42 VanDerWaalsContact CA-O 3.32Å; K38-A42 WeakPolarHBondContact CA-O 3.44Å; T39-A42 PolarHBondContact N-O 3.14Å; T39-A42 PolarHBondContact O-N 3.41Å; N40-A42 VanDerWaalsContact C-N 3.31Å; N40-A42 PolarHBondContact O-N 3.01Å; A42-L46 HydrophobicContact CB-CD2 3.93Å; A42-L46 HydrophobicContact CB-CG 4.5Å; A42-M47 HydrophobicContact CB-CE 3.39Å; A42-M47 HydrophobicContact CB-CG 4.1Å; A42-M47 HydrophobicContact CB-SD 4.03Å
43T97.4Very high96.1Very high5 Ų534.8 Ų34.83%0.03119%0.189CC..  trans-84.4158.7172.4620000111.2K38 L45 L46 M47 V70K38-T43 HydrophobicContact CG-CG2 4.02Å; T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.32Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CB 3.47Å; T43-L46 PolarHBondContact OG1-N 3.39Å; T43-M47 PolarHBondContact O-N 3.48Å; T43-M47 VanDerWaalsContact O-N 3.08Å; T43-V70 HydrophobicContact CG2-CB 4.28Å; T43-V70 HydrophobicContact CG2-CG1 3.7Å
44P97.8Very high96.4Very high2 Ų234.3 Ų34.31%0.01318%0.182CC..Hα-helixtrans-51.2-44169.9-31.638.8000113.8V7 A11 I35 M47 A48 L60V7-P44 HydrophobicContact CG1-CB 4.46Å; V7-P44 HydrophobicContact CG1-CG 3.8Å; A11-P44 HydrophobicContact CB-CB 3.6Å; A11-P44 WeakPolarHBondContact CB-O 3.38Å; I35-P44 WeakPolarHBondContact O-CD 3.36Å; P44-M47 PolarHBondContact O-N 3.38Å; P44-A48 WeakPolarHBondContact O-CB 3.49Å; P44-A48 PolarHBondContact O-N 3.06Å; P44-L60 HydrophobicContact CB-CD1 4.11Å; P44-L60 HydrophobicContact CB-CD2 4.41Å
45L98.5Very high96.6Very high3 Ų337 Ų372%0.01620%0.196CC..Hα-helixtrans-63.3-43.2178.7178.862.9000111.8T43 M47 A48 A49 V57 L60 L61 A66 P86 L102T43-L45 VanDerWaalsContact C-N 3.29Å; T43-L45 PolarHBondContact O-N 3.32Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.89Å; L45-A48 PolarHBondContact O-N 2.97Å; L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.5Å; L45-A49 PolarHBondContact O-N 3.28Å; L45-V57 HydrophobicContact CD1-CB 4.42Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.33Å; L45-L60 HydrophobicContact CB-CD1 4.23Å; L45-L60 HydrophobicContact CD1-CB 4.26Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; L45-L61 HydrophobicContact CD1-CD1 4.49Å; L45-L61 HydrophobicContact CD1-CD2 4.22Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.73Å; L45-L61 HydrophobicContact CD2-CG 4.5Å; L45-A66 HydrophobicContact CB-CB 4.34Å; L45-A66 HydrophobicContact CD2-CB 4.1Å; L45-P86 HydrophobicContact CD2-CB 4.44Å; L45-P86 HydrophobicContact CD2-CG 3.9Å; L45-P86 HydrophobicContact CG-CB 4.17Å; L45-P86 HydrophobicContact CG-CG 3.88Å; L45-L102 HydrophobicContact CD1-CD2 4.49Å
46L98.4Very high96.8Very high0 Ų036.6 Ų36.60%019%0.194CC..Hα-helixtrans-61.8-41.4177.3179.858.9000112A42 T43 R50 G72 V74 A84 A89A42-L46 HydrophobicContact CB-CD2 3.93Å; A42-L46 HydrophobicContact CB-CG 4.5Å; T43-L46 PolarHBondContact O-N 3.19Å; T43-L46 WeakPolarHBondContact OG1-CB 3.47Å; T43-L46 PolarHBondContact OG1-N 3.39Å; L46-R50 VanDerWaalsContact O-CB 3.31Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.01Å; L46-G72 VanDerWaalsContact CD2-CA 3.43Å; L46-V74 HydrophobicContact CD1-CG1 3.79Å; L46-V74 HydrophobicContact CD2-CG1 3.7Å; L46-V74 HydrophobicContact CG-CG1 3.65Å; L46-A84 VanDerWaalsContact CD1-O 3.32Å; L46-A84 WeakPolarHBondContact CD1-O 3.32Å; L46-A89 HydrophobicContact CD1-CB 3.64Å
47M97.9Very high97Very high6 Ų633.5 Ų33.53%0.0317%0.173CC..Hα-helixtrans-68.8-44.1176.2-68.1-59.289.100112F8 R12 A42 T43 P44 L45 A49 R50 Y51 V74F8-M47 HydrophobicContact CD2-CG 4.1Å; F8-M47 HydrophobicContact CE2-CG 3.34Å; F8-M47 HydrophobicContact CE2-SD 4.14Å; F8-M47 HydrophobicContact CZ-CG 3.65Å; F8-M47 HydrophobicContact CZ-SD 3.96Å; R12-M47 HydrophobicContact CB-CB 4.02Å; R12-M47 HydrophobicContact CB-CG 4.4Å; R12-M47 HydrophobicContact CG-CB 4.39Å; A42-M47 HydrophobicContact CB-CE 3.39Å; A42-M47 HydrophobicContact CB-CG 4.1Å; A42-M47 HydrophobicContact CB-SD 4.03Å; T43-M47 PolarHBondContact O-N 3.48Å; T43-M47 VanDerWaalsContact O-N 3.08Å; P44-M47 PolarHBondContact O-N 3.38Å; L45-M47 VanDerWaalsContact C-N 3.33Å; L45-M47 PolarHBondContact O-N 2.89Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.4Å; M47-R50 PolarHBondContact O-N 3.14Å; M47-Y51 VanDerWaalsContact O-CD2 3.28Å; M47-Y51 WeakPolarHBondContact O-CD2 3.34Å; M47-Y51 PolarHBondContact O-N 3.07Å; M47-Y51 HydrophobicContact SD-CE2 4.24Å; M47-V74 HydrophobicContact CE-CG1 3.75Å
48A98.4Very high97.3Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-57.9-42.5175.700000111.3P44 L45 G52 H53 M56 V57 L60P44-A48 WeakPolarHBondContact O-CB 3.49Å; P44-A48 PolarHBondContact O-N 3.06Å; L45-A48 PolarHBondContact O-N 2.97Å; A48-G52 PolarHBondContact O-N 3.36Å; A48-H53 PolarHBondContact O-N 2.81Å; A48-M56 HydrophobicContact CB-CB 4.02Å; A48-M56 HydrophobicContact CB-CG 3.7Å; A48-V57 HydrophobicContact CB-CG2 3.74Å; A48-L60 HydrophobicContact CB-CD1 4.16Å
49A98.7Very high97.5Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-66.9-45.117800000112.9L45 M47 Y51 G52 V57 P86 A90 H95 V98 L102L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.5Å; L45-A49 PolarHBondContact O-N 3.28Å; M47-A49 VanDerWaalsContact C-N 3.26Å; M47-A49 PolarHBondContact O-N 3.4Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.9Å; A49-G52 PolarHBondContact O-N 3.3Å; A49-V57 HydrophobicContact CB-CG2 4.32Å; A49-P86 HydrophobicContact CB-CB 3.86Å; A49-A90 HydrophobicContact CB-CB 4.29Å; A49-H95 PolarHBondContact O-CD2 2.96Å; A49-V98 HydrophobicContact CB-CG1 4.03Å; A49-L102 HydrophobicContact CB-CD1 4.15Å
50R98Very high97.7Very high43 Ų4330.1 Ų30.116%0.16216%0.157CC..Hα-helixtrans-59.8-37.9177177.1176171-160.2-11.6113.3L46 M47 N75 F76 A89 A93 H95L46-R50 VanDerWaalsContact O-CB 3.31Å; L46-R50 WeakPolarHBondContact O-CB 3.44Å; L46-R50 PolarHBondContact O-N 3.01Å; M47-R50 PolarHBondContact O-N 3.14Å; R50-N75 PolarHBondContact NE-O 3.45Å; R50-N75 VanDerWaalsContact NH1-N 3.18Å; R50-N75 PolarHBondContact NH2-O 3.29Å; R50-F76 HydrophobicContact CG-CE2 4.44Å; R50-F76 HydrophobicContact CG-CZ 4.14Å; R50-A89 HydrophobicContact CB-CB 4.05Å; R50-A93 VanDerWaalsContact O-CB 3.23Å; R50-A93 WeakPolarHBondContact O-CB 3.47Å; R50-H95 PolarHBondContact O-CD2 2.89Å; R50-H95 PolarHBondContact O-NE2 3.3Å
51Y98.2Very high98Very high102 Ų10224.1 Ų24.140%0.413%0.125SC..Hα-helixtrans-97.52.2-176.6-72.2-74.1000113.7R12 M47 A49 H53 H95R12-Y51 HydrophobicContact CG-CD2 3.75Å; R12-Y51 HydrophobicContact CG-CE2 3.45Å; R12-Y51 VanDerWaalsContact CG-CE2 3.45Å; M47-Y51 VanDerWaalsContact O-CD2 3.28Å; M47-Y51 WeakPolarHBondContact O-CD2 3.34Å; M47-Y51 PolarHBondContact O-N 3.07Å; M47-Y51 HydrophobicContact SD-CE2 4.24Å; A49-Y51 VanDerWaalsContact C-N 3.31Å; A49-Y51 PolarHBondContact O-N 2.9Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.44Å; Y51-H95 VanDerWaalsContact C-NE2 3.33Å
52G98.4Very high98.1Very high24 Ų2428 Ų2825%0.24714%0.137CC..THydrogen-bonded Turntrans8119.2169.600000115.3A48 A49 L54 H95A48-G52 PolarHBondContact O-N 3.36Å; A49-G52 PolarHBondContact O-N 3.3Å; G52-L54 PolarHBondContact O-N 2.97Å; G52-H95 WeakPolarHBondContact CA-CD2 3.43Å; G52-H95 VanDerWaalsContact CA-CG 3.41Å; G52-H95 WeakPolarHBondContact CA-NE2 3.33Å; G52-H95 PolarHBondContact N-CD2 3.31Å; G52-H95 PolarHBondContact N-NE2 3.46Å
53H98.6Very high98Very high47 Ų4734.3 Ų34.322%0.21817%0.165CC..  trans-81.380.9-178.2-56.9-49.4000110.5A11 R12 G14 A48 Y51 D55 M56 V57A11-H53 PolarHBondContact O-CD2 3.35Å; A11-H53 VanDerWaalsContact O-CD2 3.27Å; R12-H53 PolarHBondContact O-CD2 3.06Å; R12-H53 PolarHBondContact O-NE2 3.14Å; G14-H53 VanDerWaalsContact CA-CD2 3.45Å; G14-H53 WeakPolarHBondContact CA-CD2 3.35Å; G14-H53 VanDerWaalsContact CA-CG 3.43Å; G14-H53 PolarHBondContact N-CD2 3.4Å; G14-H53 VanDerWaalsContact N-CD2 3.34Å; G14-H53 PolarHBondContact N-NE2 2.89Å; A48-H53 PolarHBondContact O-N 2.81Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.44Å; H53-D55 PolarHBondContact O-N 2.83Å; H53-M56 HydrophobicContact CB-CB 3.64Å; H53-M56 WeakPolarHBondContact O-CB 3.31Å; H53-M56 PolarHBondContact O-N 3.18Å; H53-M56 VanDerWaalsContact O-N 3.17Å; H53-V57 WeakPolarHBondContact O-CG2 3.5Å; H53-V57 PolarHBondContact O-N 3.4Å
54L98.7Very high97.9Very high48 Ų4834.5 Ų34.525%0.25117%0.167SC..Hα-helixtrans-55.3-48-175.217864.7000113.1G52 M56 V57 E58 K97 V98G52-L54 PolarHBondContact O-N 2.97Å; L54-M56 VanDerWaalsContact C-N 3.27Å; L54-M56 PolarHBondContact O-N 3.39Å; L54-V57 WeakPolarHBondContact O-CB 3.3Å; L54-V57 PolarHBondContact O-N 2.93Å; L54-V57 VanDerWaalsContact O-N 3.12Å; L54-E58 HydrophobicContact CD1-CG 4.2Å; L54-E58 WeakPolarHBondContact CD1-OE1 3.46Å; L54-E58 HydrophobicContact CG-CG 4.5Å; L54-E58 WeakPolarHBondContact O-CG 3.08Å; L54-E58 PolarHBondContact O-N 3.02Å; L54-K97 HydrophobicContact CD1-CB 4.45Å; L54-K97 HydrophobicContact CD2-CB 4.01Å; L54-K97 HydrophobicContact CD2-CD 4.27Å; L54-V98 HydrophobicContact CB-CG2 4.23Å; L54-V98 HydrophobicContact CD1-CG2 4.32Å
55D98.2Very high97.7Very high76 Ų7639 Ų3941%0.40620%0.198SC..Hα-helixtrans-61.1-37.5179.362.9-23.6000112.1L16 H53 F59L16-D55 HydrophobicContact CD2-CB 3.99Å; H53-D55 PolarHBondContact O-N 2.83Å; D55-F59 WeakPolarHBondContact O-CB 3.49Å; D55-F59 PolarHBondContact O-N 3.42Å
56M98.4Very high97.6Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-68.2-41.8174-168.877.470.500111.9A10 A11 K15 L16 L19 A48 H53 L54 L60A10-M56 WeakPolarHBondContact O-CE 3.33Å; A11-M56 HydrophobicContact CB-CG 4.25Å; A11-M56 HydrophobicContact CB-SD 4.41Å; K15-M56 VanDerWaalsContact C-CE 3.49Å; L16-M56 HydrophobicContact CB-CE 4.11Å; L16-M56 HydrophobicContact CB-SD 4.41Å; L16-M56 HydrophobicContact CD1-SD 4.07Å; L16-M56 VanDerWaalsContact N-CE 3.27Å; L19-M56 HydrophobicContact CB-SD 4.2Å; L19-M56 HydrophobicContact CD2-SD 3.36Å; L19-M56 WeakPolarHBondContact CD2-SD 3.41Å; L19-M56 HydrophobicContact CG-SD 4.4Å; A48-M56 HydrophobicContact CB-CB 4.02Å; A48-M56 HydrophobicContact CB-CG 3.7Å; H53-M56 HydrophobicContact CB-CB 3.64Å; H53-M56 WeakPolarHBondContact O-CB 3.31Å; H53-M56 PolarHBondContact O-N 3.18Å; H53-M56 VanDerWaalsContact O-N 3.17Å; L54-M56 VanDerWaalsContact C-N 3.27Å; L54-M56 PolarHBondContact O-N 3.39Å; M56-L60 HydrophobicContact CG-CD1 4.07Å; M56-L60 WeakPolarHBondContact O-CB 3.5Å; M56-L60 WeakPolarHBondContact O-CG 3.35Å; M56-L60 PolarHBondContact O-N 3.23Å
57V98.7Very high97.5Very high0 Ų042.9 Ų42.90%023%0.227CC..Hα-helixtrans-62.2-51.4177.3167.80000110.2L45 A48 A49 H53 L54 F59 L60 L61 V98 L102L45-V57 HydrophobicContact CD1-CB 4.42Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.33Å; A48-V57 HydrophobicContact CB-CG2 3.74Å; A49-V57 HydrophobicContact CB-CG2 4.32Å; H53-V57 WeakPolarHBondContact O-CG2 3.5Å; H53-V57 PolarHBondContact O-N 3.4Å; L54-V57 WeakPolarHBondContact O-CB 3.3Å; L54-V57 PolarHBondContact O-N 2.93Å; L54-V57 VanDerWaalsContact O-N 3.12Å; V57-F59 PolarHBondContact O-N 3.16Å; V57-L60 PolarHBondContact O-N 3.01Å; V57-L61 HydrophobicContact CG1-CD1 3.72Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.3Å; V57-L61 PolarHBondContact O-N 3.24Å; V57-V98 HydrophobicContact CG1-CG1 4.47Å; V57-V98 HydrophobicContact CG2-CG1 4.06Å; V57-L102 HydrophobicContact CG1-CD2 4.03Å; V57-L102 HydrophobicContact CG1-CG 4.24Å
58E98.5Very high97.5Very high67 Ų6743.8 Ų43.831%0.31323%0.231SC..Hα-helixtrans-59.7-46.7177.7-71172.2170.100110.9L54 L60 L61 E62 S101L54-E58 HydrophobicContact CD1-CG 4.2Å; L54-E58 WeakPolarHBondContact CD1-OE1 3.46Å; L54-E58 HydrophobicContact CG-CG 4.5Å; L54-E58 WeakPolarHBondContact O-CG 3.08Å; L54-E58 PolarHBondContact O-N 3.02Å; E58-L60 PolarHBondContact O-N 3.41Å; E58-L61 PolarHBondContact O-N 2.97Å; E58-E62 VanDerWaalsContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CB 3.45Å; E58-E62 VanDerWaalsContact O-CG 3.31Å; E58-E62 WeakPolarHBondContact O-CG 3.47Å; E58-E62 PolarHBondContact O-N 3.48Å; E58-S101 WeakPolarHBondContact CG-OG 3.37Å
59F98Very high97.4Very high39 Ų3946.6 Ų46.617%0.17124%0.244CC..Hα-helixtrans-58.5-46176175.2-100000112.9L16 L19 T20 L23 D55 V57 L61 Q63 C64L16-F59 HydrophobicContact CD1-CB 3.6Å; L16-F59 HydrophobicContact CD1-CD1 3.56Å; L16-F59 HydrophobicContact CD1-CD2 4.02Å; L16-F59 HydrophobicContact CD1-CE1 4.24Å; L16-F59 HydrophobicContact CD1-CG 3.43Å; L16-F59 VanDerWaalsContact CD1-CG 3.43Å; L19-F59 HydrophobicContact CD2-CD1 3.87Å; L19-F59 HydrophobicContact CD2-CE1 3.79Å; L19-F59 HydrophobicContact CG-CE1 4.17Å; T20-F59 HydrophobicContact CG2-CD2 4.21Å; T20-F59 HydrophobicContact CG2-CE1 4.13Å; T20-F59 HydrophobicContact CG2-CE2 3.57Å; T20-F59 HydrophobicContact CG2-CZ 3.53Å; L23-F59 HydrophobicContact CD1-CE1 4.16Å; D55-F59 WeakPolarHBondContact O-CB 3.49Å; D55-F59 PolarHBondContact O-N 3.42Å; V57-F59 PolarHBondContact O-N 3.16Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 3.19Å; F59-Q63 HydrophobicContact CD2-CB 3.79Å; F59-Q63 HydrophobicContact CD2-CG 3.7Å; F59-Q63 HydrophobicContact CE2-CB 3.69Å; F59-Q63 HydrophobicContact CE2-CG 3.94Å; F59-Q63 HydrophobicContact CG-CB 4.5Å; F59-Q63 HydrophobicContact CZ-CB 4.35Å; F59-Q63 WeakPolarHBondContact O-CA 3.49Å; F59-Q63 VanDerWaalsContact O-CB 3.32Å; F59-Q63 WeakPolarHBondContact O-CB 3.35Å; F59-Q63 PolarHBondContact O-N 2.73Å; F59-C64 WeakPolarHBondContact CE1-SG 3.42Å; F59-C64 PolarHBondContact O-N 3.3Å
60L97.9Very high97.2Very high0 Ų048.7 Ų48.70%026%0.257CS..Hα-helixtrans-64.7-37.4-180-75.6170.3000112A11 L19 I35 P44 L45 A48 M56 V57 E58 C64 S65 A66A11-L60 HydrophobicContact CB-CD1 4.43Å; L19-L60 HydrophobicContact CD2-CD2 3.87Å; L19-L60 HydrophobicContact CD2-CG 4.32Å; I35-L60 HydrophobicContact CB-CD2 4.49Å; I35-L60 HydrophobicContact CG2-CD2 3.89Å; P44-L60 HydrophobicContact CB-CD1 4.11Å; P44-L60 HydrophobicContact CB-CD2 4.41Å; L45-L60 HydrophobicContact CB-CD1 4.23Å; L45-L60 HydrophobicContact CD1-CB 4.26Å; L45-L60 HydrophobicContact CD1-CD1 4.45Å; A48-L60 HydrophobicContact CB-CD1 4.16Å; M56-L60 HydrophobicContact CG-CD1 4.07Å; M56-L60 WeakPolarHBondContact O-CB 3.5Å; M56-L60 WeakPolarHBondContact O-CG 3.35Å; M56-L60 PolarHBondContact O-N 3.23Å; V57-L60 PolarHBondContact O-N 3.01Å; E58-L60 PolarHBondContact O-N 3.41Å; L60-C64 HydrophobicContact CD2-CB 4.44Å; L60-C64 CarbonylContact O-C 3.51Å; L60-C64 WeakPolarHBondContact O-CB 3.37Å; L60-S65 PolarHBondContact O-N 3.38Å; L60-A66 HydrophobicContact CB-CB 4.08Å; L60-A66 WeakPolarHBondContact O-CB 3.2Å; L60-A66 PolarHBondContact O-N 3.19Å
61L97.6Very high97Very high19 Ų1947.4 Ų47.410%0.09926%0.257CS..Hα-helixtrans-75.3-49.9179.3-67.7168.7000111.8L45 V57 E58 F59 S65 I68 L102 H105L45-L61 HydrophobicContact CD1-CD1 4.49Å; L45-L61 HydrophobicContact CD1-CD2 4.22Å; L45-L61 HydrophobicContact CD1-CG 4.09Å; L45-L61 HydrophobicContact CD2-CD2 3.73Å; L45-L61 HydrophobicContact CD2-CG 4.5Å; V57-L61 HydrophobicContact CG1-CD1 3.72Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.3Å; V57-L61 PolarHBondContact O-N 3.24Å; E58-L61 PolarHBondContact O-N 2.97Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 3.19Å; L61-S65 WeakPolarHBondContact O-CA 3.34Å; L61-S65 PolarHBondContact O-N 3.49Å; L61-I68 HydrophobicContact CD1-CD1 4.37Å; L61-I68 HydrophobicContact CD2-CB 4.06Å; L61-I68 HydrophobicContact CD2-CD1 3.97Å; L61-I68 HydrophobicContact CD2-CG1 4.03Å; L61-L102 HydrophobicContact CD1-CD2 4.05Å; L61-H105 HydrophobicContact CD1-CB 3.88Å
62E96.6Very high96.9Very high106 Ų10642.6 Ų42.650%0.49524%0.239SC..Hα-helixtrans-82.4-40.1-170.3-63174.3-176.200113.1E58 H105E58-E62 VanDerWaalsContact O-CB 3.28Å; E58-E62 WeakPolarHBondContact O-CB 3.45Å; E58-E62 VanDerWaalsContact O-CG 3.31Å; E58-E62 WeakPolarHBondContact O-CG 3.47Å; E58-E62 PolarHBondContact O-N 3.48Å; E62-H105 VanDerWaalsContact CG-NE2 3.32Å; E62-H105 WeakPolarHBondContact CG-NE2 3.22Å; E62-H105 IonicContact OE1-CE1 2.61Å; E62-H105 IonicContact OE1-NE2 2.7Å; E62-H105 PolarHBondContact OE1-NE2 3.26Å
63Q94.7Very high96.9Very high133 Ų13342.4 Ų42.462%0.62123%0.234SC*.THydrogen-bonded Turntrans-100.9-30-173-55-58.8-3900112.8F59F59-Q63 HydrophobicContact CD2-CB 3.79Å; F59-Q63 HydrophobicContact CD2-CG 3.7Å; F59-Q63 HydrophobicContact CE2-CB 3.69Å; F59-Q63 HydrophobicContact CE2-CG 3.94Å; F59-Q63 HydrophobicContact CG-CB 4.5Å; F59-Q63 HydrophobicContact CZ-CB 4.35Å; F59-Q63 WeakPolarHBondContact O-CA 3.49Å; F59-Q63 VanDerWaalsContact O-CB 3.32Å; F59-Q63 WeakPolarHBondContact O-CB 3.35Å; F59-Q63 PolarHBondContact O-N 2.73Å
64C95.4Very high96.8Very high10 Ų1040.1 Ų40.17%0.06822%0.223CC..THydrogen-bonded Turntrans-103.1-8.7-178.7-570000113.4V31 I35 F59 L60 A66V31-C64 HydrophobicContact CG1-CB 3.83Å; I35-C64 HydrophobicContact CD1-CB 3.58Å; I35-C64 WeakPolarHBondContact CD1-O 3.08Å; I35-C64 HydrophobicContact CG2-CB 4.19Å; F59-C64 WeakPolarHBondContact CE1-SG 3.42Å; F59-C64 PolarHBondContact O-N 3.3Å; L60-C64 HydrophobicContact CD2-CB 4.44Å; L60-C64 CarbonylContact O-C 3.51Å; L60-C64 WeakPolarHBondContact O-CB 3.37Å; C64-A66 VanDerWaalsContact C-N 3.27Å; C64-A66 PolarHBondContact O-N 3.34Å
65S94.2Very high96.7Very high95 Ų9541.1 Ų41.166%0.66423%0.229SC*.  trans55.639.4-175.2-54.60000113.2L60 L61 S67L60-S65 PolarHBondContact O-N 3.38Å; L61-S65 WeakPolarHBondContact O-CA 3.34Å; L61-S65 PolarHBondContact O-N 3.49Å; S65-S67 PolarHBondContact O-N 3.5Å
66A96Very high96.5Very high11 Ų1139.5 Ų39.59%0.09122%0.218CC..  trans-59.9132177.800000111I35 L45 L60 C64 I68I35-A66 HydrophobicContact CD1-CB 3.92Å; I35-A66 HydrophobicContact CG1-CB 4.45Å; L45-A66 HydrophobicContact CB-CB 4.34Å; L45-A66 HydrophobicContact CD2-CB 4.1Å; L60-A66 HydrophobicContact CB-CB 4.08Å; L60-A66 WeakPolarHBondContact O-CB 3.2Å; L60-A66 PolarHBondContact O-N 3.19Å; C64-A66 VanDerWaalsContact C-N 3.27Å; C64-A66 PolarHBondContact O-N 3.34Å; A66-I68 PolarHBondContact O-N 3.13Å
67S96.2Very high96.1Very high75 Ų7546.5 Ų46.552%0.52426%0.256SS..  trans-67.7116177.5177.20000110.9S65 E69 V70S65-S67 PolarHBondContact O-N 3.5Å; S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 PolarHBondContact O-N 3.38Å; S67-V70 PolarHBondContact O-N 3.36Å; S67-V70 WeakPolarHBondContact OG-CG2 3.4Å
68I97.3Very high95.7Very high25 Ų2550.1 Ų50.113%0.12829%0.292CS..THydrogen-bonded Turntrans-68.3-26.4-170.2-162.9160.8000114.3L61 A66 P86 L102 H105 A107L61-I68 HydrophobicContact CD1-CD1 4.37Å; L61-I68 HydrophobicContact CD2-CB 4.06Å; L61-I68 HydrophobicContact CD2-CD1 3.97Å; L61-I68 HydrophobicContact CD2-CG1 4.03Å; A66-I68 PolarHBondContact O-N 3.13Å; I68-P86 WeakPolarHBondContact O-CD 3.47Å; I68-P86 WeakPolarHBondContact O-CG 3.45Å; I68-L102 HydrophobicContact CD1-CD2 4.02Å; I68-L102 VanDerWaalsContact CD1-O 3.26Å; I68-L102 WeakPolarHBondContact CD1-O 3.37Å; I68-L102 HydrophobicContact CG1-CD2 3.96Å; I68-H105 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.92Å
69E97Very high95.5Very high58 Ų5853.5 Ų53.527%0.27131%0.308SS..THydrogen-bonded Turntrans-94.4-1.1-175-63.6-53.9146.800114.9S67 G71 A107 S108 N111S67-E69 VanDerWaalsContact C-N 3.31Å; S67-E69 PolarHBondContact O-N 3.38Å; E69-G71 PolarHBondContact O-N 3.28Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.34Å; E69-S108 PolarHBondContact OE1-N 3.02Å; E69-N111 WeakPolarHBondContact OE2-CB 3.33Å; E69-N111 PolarHBondContact OE2-ND2 2.82Å
70V94.9Very high95.4Very high44 Ų4455.1 Ų55.127%0.26732%0.322SS..  trans-69.7101.8-174.8-178.50000110T43 S67T43-V70 HydrophobicContact CG2-CB 4.28Å; T43-V70 HydrophobicContact CG2-CG1 3.7Å; S67-V70 PolarHBondContact O-N 3.36Å; S67-V70 WeakPolarHBondContact OG-CG2 3.4Å
71G93.7Very high95.3Very high16 Ų1656.7 Ų56.717%0.16533%0.33CS..  trans-69.5150.5174.900000112.7K38 E69 A84K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.36Å; E69-G71 PolarHBondContact O-N 3.28Å; G71-A84 CarbonylContact C-O 3.52Å; G71-A84 VanDerWaalsContact CA-O 3.24Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å
72G96.7Very high95.3Very high1 Ų160 Ų601%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-150.1-173.1177.600000113G41 L46 G83 A84G41-G72 CarbonylContact O-C 3.45Å; G41-G72 WeakPolarHBondContact O-CA 3.3Å; L46-G72 VanDerWaalsContact CD2-CA 3.43Å; G72-G83 CarbonylContact O-C 3.53Å; G72-G83 PolarHBondContact O-N 3.23Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G72-A84 PolarHBondContact N-O 3.12Å; G72-A84 PolarHBondContact O-N 3.08Å
73S97.7Very high95.3Very high20 Ų2055.8 Ų55.814%0.1433%0.33CS..EExtended strand (participates in β ladder)trans-88.7125.1-179.7-39.40000110G41 I81 E82G41-S73 PolarHBondContact O-N 3.16Å; S73-I81 WeakPolarHBondContact CA-O 3.37Å; S73-E82 WeakPolarHBondContact CB-OE2 3.07Å; S73-E82 VanDerWaalsContact OG-CD 3.29Å; S73-E82 PolarHBondContact OG-OE1 3.16Å; S73-E82 PolarHBondContact OG-OE2 3.17Å
74V97Very high95.5Very high0 Ų049.5 Ų49.50%030%0.3CS..EExtended strand (participates in β ladder)trans-129.3150176.2-650000110.7L46 M47 F76 T80 I81 A84 W88 A89L46-V74 HydrophobicContact CD1-CG1 3.79Å; L46-V74 HydrophobicContact CD2-CG1 3.7Å; L46-V74 HydrophobicContact CG-CG1 3.65Å; M47-V74 HydrophobicContact CE-CG1 3.75Å; V74-F76 HydrophobicContact CB-CD2 4.42Å; V74-F76 HydrophobicContact CB-CE2 4.09Å; V74-F76 HydrophobicContact CG2-CD2 4.01Å; V74-F76 HydrophobicContact CG2-CE2 3.77Å; V74-T80 CarbonylContact O-C 3.47Å; V74-T80 WeakPolarHBondContact O-CA 3.45Å; V74-I81 HydrophobicContact CG2-CB 4.03Å; V74-I81 PolarHBondContact N-O 3.26Å; V74-I81 PolarHBondContact O-N 3.37Å; V74-A84 HydrophobicContact CG1-CB 4.47Å; V74-A84 HydrophobicContact CG2-CB 3.57Å; V74-W88 HydrophobicContact CG2-CE3 4.24Å; V74-W88 HydrophobicContact CG2-CZ3 3.78Å; V74-A89 HydrophobicContact CG1-CB 4.33Å
75N95.7Very high95.6Very high69 Ų6949.1 Ų49.137%0.36930%0.298SS..EExtended strand (participates in β ladder)trans-108.7127.6-179.5-67.370.8000111.2R50 E79 T80R50-N75 PolarHBondContact NE-O 3.45Å; R50-N75 VanDerWaalsContact NH1-N 3.18Å; R50-N75 PolarHBondContact NH2-O 3.29Å; N75-E79 CarbonylContact C-O 3.34Å; N75-E79 WeakPolarHBondContact CA-O 3.34Å; N75-T80 PolarHBondContact ND2-OG1 2.87Å
76F94.5Very high95.8Very high42 Ų4244.6 Ų44.618%0.18427%0.266CS..EExtended strand (participates in β ladder)trans-129.8128.7171.9-77.2-96.7000107.7R50 V74 G78 E79 W88 A92 A93R50-F76 HydrophobicContact CG-CE2 4.44Å; R50-F76 HydrophobicContact CG-CZ 4.14Å; V74-F76 HydrophobicContact CB-CD2 4.42Å; V74-F76 HydrophobicContact CB-CE2 4.09Å; V74-F76 HydrophobicContact CG2-CD2 4.01Å; V74-F76 HydrophobicContact CG2-CE2 3.77Å; F76-G78 PolarHBondContact O-N 2.78Å; F76-E79 PolarHBondContact N-O 2.96Å; F76-E79 PolarHBondContact O-N 2.86Å; F76-W88 HydrophobicContact CD2-CH2 4.35Å; F76-W88 AromaticContact CD2-CZ3 3.97Å; F76-W88 HydrophobicContact CD2-CZ3 3.97Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; F76-A92 HydrophobicContact CD1-CB 4.19Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.19Å; F76-A92 HydrophobicContact CZ-CB 3.6Å; F76-A93 HydrophobicContact CE1-CB 4.1Å; F76-A93 HydrophobicContact CZ-CB 4.21Å
77D90.8Very high95.9Very high147 Ų14744.2 Ų44.279%0.78626%0.263SS*.THydrogen-bonded Turntrans49.534.2179.2-58.3-27.3000115.8E79D77-E79 VanDerWaalsContact C-N 3.32Å
78G90.4Very high96.1Very high75 Ų7541.4 Ų41.477%0.77324%0.241SC*.THydrogen-bonded Turntrans85.1-3.4-178.800000114.9F76F76-G78 PolarHBondContact O-N 2.78Å
79E92.7Very high96.1Very high139 Ų13940.2 Ų40.265%0.6524%0.235SC*.EExtended strand (participates in β ladder)trans-96.7135.7174.9-61-169.4173.600111.3N75 F76 D77N75-E79 CarbonylContact C-O 3.34Å; N75-E79 WeakPolarHBondContact CA-O 3.34Å; F76-E79 PolarHBondContact N-O 2.96Å; F76-E79 PolarHBondContact O-N 2.86Å; D77-E79 VanDerWaalsContact C-N 3.32Å
80T96.1Very high96.2Very high73 Ų7337.5 Ų37.545%0.44822%0.222SC..EExtended strand (participates in β ladder)trans-89.5123.6172-560000109.9V74 N75 E82V74-T80 CarbonylContact O-C 3.47Å; V74-T80 WeakPolarHBondContact O-CA 3.45Å; N75-T80 PolarHBondContact ND2-OG1 2.87Å; T80-E82 VanDerWaalsContact CG2-OE1 3.28Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.48Å
81I96.5Very high96.4Very high33 Ų3335.4 Ų35.417%0.16921%0.209CC..EExtended strand (participates in β ladder)trans-104.9119.7176.1-50.4-58.7000108.7S73 V74 A84 W88 T113S73-I81 WeakPolarHBondContact CA-O 3.37Å; V74-I81 HydrophobicContact CG2-CB 4.03Å; V74-I81 PolarHBondContact N-O 3.26Å; V74-I81 PolarHBondContact O-N 3.37Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; I81-W88 HydrophobicContact CB-CH2 4.2Å; I81-W88 HydrophobicContact CB-CZ3 4.37Å; I81-W88 HydrophobicContact CG1-CH2 3.92Å; I81-W88 HydrophobicContact CG1-CZ3 4.43Å; I81-W88 HydrophobicContact CG2-CH2 3.87Å; I81-W88 HydrophobicContact CG2-CZ2 4.15Å; I81-W88 HydrophobicContact CG2-CZ3 4.17Å; I81-T113 HydrophobicContact CG2-CG2 3.56Å
82E96.6Very high96.6Very high87 Ų8734.8 Ų34.841%0.40720%0.202SC..EExtended strand (participates in β ladder)trans-92.4143.3-176.3-66.4-61.6157.800113S73 T80 A84 T113 L114S73-E82 WeakPolarHBondContact CB-OE2 3.07Å; S73-E82 VanDerWaalsContact OG-CD 3.29Å; S73-E82 PolarHBondContact OG-OE1 3.16Å; S73-E82 PolarHBondContact OG-OE2 3.17Å; T80-E82 VanDerWaalsContact CG2-OE1 3.28Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.48Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.94Å; E82-T113 WeakPolarHBondContact O-CB 3.39Å; E82-L114 HydrophobicContact CB-CB 4.46Å; E82-L114 HydrophobicContact CB-CD1 3.7Å; E82-L114 HydrophobicContact CB-CG 4.13Å; E82-L114 PolarHBondContact O-N 3.1Å
83G97.2Very high96.7Very high19 Ų1936.1 Ų36.120%0.19621%0.213CC..EExtended strand (participates in β ladder)trans68.422.2177.300000114.5G72 P85G72-G83 CarbonylContact O-C 3.53Å; G72-G83 PolarHBondContact O-N 3.23Å; G72-G83 VanDerWaalsContact O-N 3.09Å; G83-P85 WeakPolarHBondContact O-CD 3.32Å
84A98.1Very high96.7Very high0 Ų036.4 Ų36.40%022%0.22CC..EExtended strand (participates in β ladder)trans-69.4120.6179.600000111.6L46 G71 G72 V74 I81 E82 W88 T113L46-A84 VanDerWaalsContact CD1-O 3.32Å; L46-A84 WeakPolarHBondContact CD1-O 3.32Å; G71-A84 CarbonylContact C-O 3.52Å; G71-A84 VanDerWaalsContact CA-O 3.24Å; G71-A84 WeakPolarHBondContact CA-O 3.42Å; G72-A84 PolarHBondContact N-O 3.12Å; G72-A84 PolarHBondContact O-N 3.08Å; V74-A84 HydrophobicContact CG1-CB 4.47Å; V74-A84 HydrophobicContact CG2-CB 3.57Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 2.94Å; A84-W88 HydrophobicContact CB-CD2 4.18Å; A84-W88 HydrophobicContact CB-CE3 3.64Å; A84-W88 HydrophobicContact CB-CZ3 4.24Å; A84-T113 HydrophobicContact CB-CG2 4.03Å
85P98.2Very high96.8Very high2 Ų239.3 Ų39.31%0.01323%0.233CC..  trans-71.6158.1171.928.1-32.2000111.3G83 L87 W88 A89 N111G83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-L87 VanDerWaalsContact C-N 3.26Å; P85-L87 PolarHBondContact O-N 3.02Å; P85-W88 HydrophobicContact CG-CB 3.74Å; P85-W88 VanDerWaalsContact O-CB 3.32Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.27Å; P85-A89 PolarHBondContact O-N 2.8Å; P85-A89 VanDerWaalsContact O-N 3.13Å; P85-N111 HydrophobicContact CG-CB 4.31Å
86P98.7Very high97Very high0 Ų038.6 Ų38.60%023%0.229CC..Hα-helixtrans-50.4-41.6177.8-29.635.8000114.2L45 A49 I68 W88 A89 A90 L102L45-P86 HydrophobicContact CD2-CB 4.44Å; L45-P86 HydrophobicContact CD2-CG 3.9Å; L45-P86 HydrophobicContact CG-CB 4.17Å; L45-P86 HydrophobicContact CG-CG 3.88Å; A49-P86 HydrophobicContact CB-CB 3.86Å; I68-P86 WeakPolarHBondContact O-CD 3.47Å; I68-P86 WeakPolarHBondContact O-CG 3.45Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.15Å; P86-A89 PolarHBondContact O-N 2.79Å; P86-A90 PolarHBondContact O-N 3.26Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.02Å
87L98.9Very high97.2Very high4 Ų443.4 Ų43.42%0.02125%0.25CS..Hα-helixtrans-62.2-40.7177.9-17962.3000112.1P85 S91 V99 L102 L103 A107 P119 L135P85-L87 VanDerWaalsContact C-N 3.26Å; P85-L87 PolarHBondContact O-N 3.02Å; L87-S91 VanDerWaalsContact O-CB 3.3Å; L87-S91 WeakPolarHBondContact O-CB 3.31Å; L87-S91 PolarHBondContact O-N 3.32Å; L87-S91 PolarHBondContact O-OG 2.93Å; L87-V99 HydrophobicContact CD1-CB 4.29Å; L87-V99 HydrophobicContact CD1-CG1 3.87Å; L87-V99 HydrophobicContact CD1-CG2 4.32Å; L87-L102 HydrophobicContact CB-CD1 4.36Å; L87-L102 HydrophobicContact CD1-CB 4.22Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; L87-L103 HydrophobicContact CD1-CG 4.12Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.25Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.08Å; L87-P119 HydrophobicContact CB-CG 4.33Å; L87-P119 HydrophobicContact CD2-CB 4.3Å; L87-P119 HydrophobicContact CD2-CG 3.91Å; L87-P119 HydrophobicContact CG-CB 3.94Å; L87-P119 HydrophobicContact CG-CG 3.84Å; L87-L135 HydrophobicContact CD1-CD2 4.35Å
88W98.7Very high97.6Very high16 Ų1636.5 Ų36.56%0.06121%0.213CC..Hα-helixtrans-61.6-48.2175.6-173.496.7000111.5V74 F76 I81 A84 P85 P86 A90 S91 A92 T113 S117 T118 P119 A122V74-W88 HydrophobicContact CG2-CE3 4.24Å; V74-W88 HydrophobicContact CG2-CZ3 3.78Å; F76-W88 HydrophobicContact CD2-CH2 4.35Å; F76-W88 AromaticContact CD2-CZ3 3.97Å; F76-W88 HydrophobicContact CD2-CZ3 3.97Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; I81-W88 HydrophobicContact CB-CH2 4.2Å; I81-W88 HydrophobicContact CB-CZ3 4.37Å; I81-W88 HydrophobicContact CG1-CH2 3.92Å; I81-W88 HydrophobicContact CG1-CZ3 4.43Å; I81-W88 HydrophobicContact CG2-CH2 3.87Å; I81-W88 HydrophobicContact CG2-CZ2 4.15Å; I81-W88 HydrophobicContact CG2-CZ3 4.17Å; A84-W88 HydrophobicContact CB-CD2 4.18Å; A84-W88 HydrophobicContact CB-CE3 3.64Å; A84-W88 HydrophobicContact CB-CZ3 4.24Å; P85-W88 HydrophobicContact CG-CB 3.74Å; P85-W88 VanDerWaalsContact O-CB 3.32Å; P85-W88 WeakPolarHBondContact O-CB 3.35Å; P85-W88 PolarHBondContact O-N 3.27Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.15Å; W88-A90 PolarHBondContact O-N 2.9Å; W88-S91 PolarHBondContact O-N 3.31Å; W88-A92 HydrophobicContact CE3-CB 4.4Å; W88-A92 HydrophobicContact CH2-CB 4.18Å; W88-A92 HydrophobicContact CZ3-CB 4.04Å; W88-A92 PolarHBondContact O-N 3.37Å; W88-T113 HydrophobicContact CD2-CG2 3.7Å; W88-T113 HydrophobicContact CE3-CG2 4.34Å; W88-T113 HydrophobicContact CG-CG2 3.9Å; W88-T113 HydrophobicContact CZ2-CG2 4.09Å; W88-S117 VanDerWaalsContact NE1-CB 3.3Å; W88-S117 PolarHBondContact NE1-O 3.24Å; W88-S117 PolarHBondContact NE1-OG 3.43Å; W88-T118 VanDerWaalsContact CD1-C 3.44Å; W88-T118 PolarHBondContact NE1-O 2.8Å; W88-P119 HydrophobicContact CB-CG 4.22Å; W88-A122 HydrophobicContact CD2-CB 4.21Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.85Å
89A98.6Very high98Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-65.5-40.8-178.300000112.5L46 R50 V74 P85 P86 S91 A93L46-A89 HydrophobicContact CD1-CB 3.64Å; R50-A89 HydrophobicContact CB-CB 4.05Å; V74-A89 HydrophobicContact CG1-CB 4.33Å; P85-A89 PolarHBondContact O-N 2.8Å; P85-A89 VanDerWaalsContact O-N 3.13Å; P86-A89 PolarHBondContact O-N 2.79Å; A89-S91 VanDerWaalsContact C-N 3.29Å; A89-S91 PolarHBondContact O-N 3.01Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.1Å
90A98.8Very high98.3Very high0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-64.7-34.6174.200000112.5A49 P86 W88 G94 H95 V98 V99 L102A49-A90 HydrophobicContact CB-CB 4.29Å; P86-A90 PolarHBondContact O-N 3.26Å; W88-A90 PolarHBondContact O-N 2.9Å; A90-G94 PolarHBondContact O-N 3.19Å; A90-G94 VanDerWaalsContact O-N 3.14Å; A90-H95 PolarHBondContact O-N 2.97Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.58Å; A90-V99 HydrophobicContact CB-CG2 3.86Å; A90-L102 HydrophobicContact CB-CD1 4.12Å
91S98.9Very high98.4Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-72.5-43179.9-58.60000112.1L87 W88 A89 A93 G94 P119 H128L87-S91 VanDerWaalsContact O-CB 3.3Å; L87-S91 WeakPolarHBondContact O-CB 3.31Å; L87-S91 PolarHBondContact O-N 3.32Å; L87-S91 PolarHBondContact O-OG 2.93Å; W88-S91 PolarHBondContact O-N 3.31Å; A89-S91 VanDerWaalsContact C-N 3.29Å; A89-S91 PolarHBondContact O-N 3.01Å; S91-A93 VanDerWaalsContact C-N 3.34Å; S91-G94 PolarHBondContact O-N 3.45Å; S91-P119 WeakPolarHBondContact CB-O 3.32Å; S91-H128 PolarHBondContact O-CD2 3.43Å
92A98.4Very high98.5Very high3 Ų324.7 Ų24.73%0.02513%0.133CC..Hα-helixtrans-61.2-42.5171.500000111.7F76 W88 G94 A122 H128F76-A92 HydrophobicContact CD1-CB 4.19Å; F76-A92 HydrophobicContact CE1-CB 3.59Å; F76-A92 HydrophobicContact CE2-CB 4.19Å; F76-A92 HydrophobicContact CZ-CB 3.6Å; W88-A92 HydrophobicContact CE3-CB 4.4Å; W88-A92 HydrophobicContact CH2-CB 4.18Å; W88-A92 HydrophobicContact CZ3-CB 4.04Å; W88-A92 PolarHBondContact O-N 3.37Å; A92-G94 VanDerWaalsContact C-N 3.31Å; A92-G94 PolarHBondContact O-N 3.33Å; A92-A122 HydrophobicContact CB-CB 3.92Å; A92-H128 PolarHBondContact O-CD2 3.06Å; A92-H128 PolarHBondContact O-NE2 2.95Å
93A98.4Very high98.6Very high29 Ų2921.7 Ų21.724%0.2412%0.119CC..Hα-helixtrans-77.7-8.9-17700000114.9R50 F76 A89 S91 H95R50-A93 VanDerWaalsContact O-CB 3.23Å; R50-A93 WeakPolarHBondContact O-CB 3.47Å; F76-A93 HydrophobicContact CE1-CB 4.1Å; F76-A93 HydrophobicContact CZ-CB 4.21Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.28Å; A89-A93 PolarHBondContact O-N 3.1Å; S91-A93 VanDerWaalsContact C-N 3.34Å; A93-H95 VanDerWaalsContact CB-CD2 3.5Å; A93-H95 WeakPolarHBondContact CB-CD2 3.48Å
94G98.6Very high98.6Very high27 Ų2726.4 Ų26.428%0.27814%0.14SC..THydrogen-bonded Turntrans82.820.9176.900000115.1A90 S91 A92 L96 H128 I131A90-G94 PolarHBondContact O-N 3.19Å; A90-G94 VanDerWaalsContact O-N 3.14Å; S91-G94 PolarHBondContact O-N 3.45Å; A92-G94 VanDerWaalsContact C-N 3.31Å; A92-G94 PolarHBondContact O-N 3.33Å; G94-L96 PolarHBondContact O-N 3.24Å; G94-H128 VanDerWaalsContact CA-CE1 3.4Å; G94-H128 WeakPolarHBondContact CA-CE1 3.22Å; G94-H128 WeakPolarHBondContact CA-ND1 3.31Å; G94-H128 WeakPolarHBondContact CA-NE2 3.28Å; G94-H128 PolarHBondContact N-NE2 3.28Å; G94-I131 VanDerWaalsContact C-CD1 3.45Å
95H98.8Very high98.6Very high60 Ų6029.7 Ų29.728%0.27816%0.155SC..  trans-92.875.9-176.2-60.9-46.2000112.7A49 R50 Y51 G52 A90 A93 K97 V98 V99A49-H95 PolarHBondContact O-CD2 2.96Å; R50-H95 PolarHBondContact O-CD2 2.89Å; R50-H95 PolarHBondContact O-NE2 3.3Å; Y51-H95 VanDerWaalsContact C-NE2 3.33Å; G52-H95 WeakPolarHBondContact CA-CD2 3.43Å; G52-H95 VanDerWaalsContact CA-CG 3.41Å; G52-H95 WeakPolarHBondContact CA-NE2 3.33Å; G52-H95 PolarHBondContact N-CD2 3.31Å; G52-H95 PolarHBondContact N-NE2 3.46Å; A90-H95 PolarHBondContact O-N 2.97Å; A93-H95 VanDerWaalsContact CB-CD2 3.5Å; A93-H95 WeakPolarHBondContact CB-CD2 3.48Å; H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.48Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.09Å; H95-V98 WeakPolarHBondContact O-CB 3.36Å; H95-V98 PolarHBondContact O-N 3.5Å; H95-V99 PolarHBondContact O-N 2.9Å
96L98.8Very high98.6Very high54 Ų5432.2 Ų32.228%0.28318%0.182SC..Hα-helixtrans-51.4-46.5-175.6178.362.4000113.8G94 V98 V99 Q100 E130 I131 Y134G94-L96 PolarHBondContact O-N 3.24Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 2.84Å; L96-V99 WeakPolarHBondContact O-CB 3.42Å; L96-V99 PolarHBondContact O-N 3.09Å; L96-Q100 HydrophobicContact CD1-CG 4.31Å; L96-Q100 HydrophobicContact CG-CG 4.49Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.39Å; L96-E130 HydrophobicContact CD2-CB 4.19Å; L96-I131 HydrophobicContact CB-CD1 4.46Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.86Å; L96-Y134 HydrophobicContact CD1-CG 4.39Å
97K98.8Very high98.6Very high144 Ų14432.6 Ų32.663%0.62619%0.185SC*.Hα-helixtrans-63.1-35.1-179.7-65.9-175.2176.5-178.20112.8L54 H95 Q100 S101L54-K97 HydrophobicContact CD1-CB 4.45Å; L54-K97 HydrophobicContact CD2-CB 4.01Å; L54-K97 HydrophobicContact CD2-CD 4.27Å; H95-K97 VanDerWaalsContact C-N 3.34Å; H95-K97 PolarHBondContact O-N 3.48Å; K97-Q100 PolarHBondContact O-N 3.35Å; K97-S101 WeakPolarHBondContact O-CB 3.48Å; K97-S101 PolarHBondContact O-N 3.42Å
98V98.9Very high98.6Very high2 Ų235.2 Ų35.21%0.01220%0.204CC..Hα-helixtrans-70.5-42175.31720000110.6A49 L54 V57 A90 H95 L96 Q100 S101 L102A49-V98 HydrophobicContact CB-CG1 4.03Å; L54-V98 HydrophobicContact CB-CG2 4.23Å; L54-V98 HydrophobicContact CD1-CG2 4.32Å; V57-V98 HydrophobicContact CG1-CG1 4.47Å; V57-V98 HydrophobicContact CG2-CG1 4.06Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.58Å; H95-V98 HydrophobicContact CB-CB 3.96Å; H95-V98 HydrophobicContact CB-CG2 4.09Å; H95-V98 WeakPolarHBondContact O-CB 3.36Å; H95-V98 PolarHBondContact O-N 3.5Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 2.84Å; V98-Q100 VanDerWaalsContact C-N 3.3Å; V98-Q100 PolarHBondContact O-N 2.9Å; V98-S101 PolarHBondContact O-N 3.22Å; V98-L102 HydrophobicContact CG1-CD1 3.74Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CB 3.48Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.12Å
99V98.9Very high98.6Very high0 Ų035.3 Ų35.30%021%0.206CC..Hα-helixtrans-56.5-45.8173.2168.20000111L87 A90 H95 L96 L102 L103 I131 Y134 L135L87-V99 HydrophobicContact CD1-CB 4.29Å; L87-V99 HydrophobicContact CD1-CG1 3.87Å; L87-V99 HydrophobicContact CD1-CG2 4.32Å; A90-V99 HydrophobicContact CB-CG2 3.86Å; H95-V99 PolarHBondContact O-N 2.9Å; L96-V99 WeakPolarHBondContact O-CB 3.42Å; L96-V99 PolarHBondContact O-N 3.09Å; V99-L102 PolarHBondContact O-N 3.28Å; V99-L103 HydrophobicContact CG1-CD1 4.32Å; V99-L103 PolarHBondContact O-N 3.31Å; V99-I131 HydrophobicContact CG1-CG2 4.32Å; V99-I131 HydrophobicContact CG2-CD1 4.18Å; V99-I131 HydrophobicContact CG2-CG2 4.18Å; V99-Y134 HydrophobicContact CG1-CD1 4.09Å; V99-L135 HydrophobicContact CG1-CD2 3.92Å; V99-L135 HydrophobicContact CG1-CG 4.41Å
100Q98.8Very high98.6Very high64 Ų6437.8 Ų37.830%0.29922%0.219SC..Hα-helixtrans-60-50.3176.1-70.6174-28.900111.5L96 K97 V98 L102 L103 N104 Y134L96-Q100 HydrophobicContact CD1-CG 4.31Å; L96-Q100 HydrophobicContact CG-CG 4.49Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-N 3.39Å; K97-Q100 PolarHBondContact O-N 3.35Å; V98-Q100 VanDerWaalsContact C-N 3.3Å; V98-Q100 PolarHBondContact O-N 2.9Å; Q100-L102 PolarHBondContact O-N 3.18Å; Q100-L103 PolarHBondContact O-N 2.97Å; Q100-N104 WeakPolarHBondContact O-CB 3.21Å; Q100-N104 PolarHBondContact O-N 3.41Å; Q100-N104 PolarHBondContact O-ND2 3.46Å; Q100-Y134 HydrophobicContact CB-CE1 4.35Å; Q100-Y134 HydrophobicContact CG-CD1 4.25Å; Q100-Y134 HydrophobicContact CG-CD2 4.25Å; Q100-Y134 HydrophobicContact CG-CE1 3.78Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.47Å
101S98.7Very high98.5Very high7 Ų740.4 Ų40.45%0.04923%0.233CC..Hα-helixtrans-60.2-45179.4-179.30000112.1E58 K97 V98 L103 N104 H105E58-S101 WeakPolarHBondContact CG-OG 3.37Å; K97-S101 WeakPolarHBondContact O-CB 3.48Å; K97-S101 PolarHBondContact O-N 3.42Å; V98-S101 PolarHBondContact O-N 3.22Å; S101-L103 PolarHBondContact O-N 3.42Å; S101-N104 PolarHBondContact O-N 2.95Å; S101-H105 PolarHBondContact O-N 3.3Å; S101-H105 PolarHBondContact O-ND1 2.83Å
102L98.8Very high98.5Very high0 Ų042.1 Ų42.10%024%0.244CC..Hα-helixtrans-62-44.8177.8-72.1166.8000112.4L45 A49 V57 L61 I68 P86 L87 A90 V98 V99 Q100 H105 G106 A107L45-L102 HydrophobicContact CD1-CD2 4.49Å; A49-L102 HydrophobicContact CB-CD1 4.15Å; V57-L102 HydrophobicContact CG1-CD2 4.03Å; V57-L102 HydrophobicContact CG1-CG 4.24Å; L61-L102 HydrophobicContact CD1-CD2 4.05Å; I68-L102 HydrophobicContact CD1-CD2 4.02Å; I68-L102 VanDerWaalsContact CD1-O 3.26Å; I68-L102 WeakPolarHBondContact CD1-O 3.37Å; I68-L102 HydrophobicContact CG1-CD2 3.96Å; P86-L102 HydrophobicContact CB-CD1 4.09Å; P86-L102 HydrophobicContact CB-CD2 4.02Å; L87-L102 HydrophobicContact CB-CD1 4.36Å; L87-L102 HydrophobicContact CD1-CB 4.22Å; L87-L102 HydrophobicContact CD1-CD1 4.48Å; A90-L102 HydrophobicContact CB-CD1 4.12Å; V98-L102 HydrophobicContact CG1-CD1 3.74Å; V98-L102 HydrophobicContact CG1-CG 4.25Å; V98-L102 WeakPolarHBondContact O-CB 3.48Å; V98-L102 VanDerWaalsContact O-CG 3.3Å; V98-L102 WeakPolarHBondContact O-CG 3.36Å; V98-L102 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.28Å; Q100-L102 PolarHBondContact O-N 3.18Å; L102-H105 CarbonylContact O-C 3.59Å; L102-H105 PolarHBondContact O-N 3.48Å; L102-G106 PolarHBondContact O-N 3.39Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.47Å; L102-A107 PolarHBondContact O-N 2.82Å
103L98.6Very high98.4Very high24 Ų2442.1 Ų42.113%0.12624%0.243CC..Hα-helixtrans-65.5-38.8177-76.6176.1000112.1L87 V99 Q100 S101 H105 G106 A107 V109 Y134 L135 H138L87-L103 HydrophobicContact CD1-CG 4.12Å; L87-L103 HydrophobicContact CD2-CD2 3.74Å; L87-L103 HydrophobicContact CD2-CG 4.25Å; V99-L103 HydrophobicContact CG1-CD1 4.32Å; V99-L103 PolarHBondContact O-N 3.31Å; Q100-L103 PolarHBondContact O-N 2.97Å; S101-L103 PolarHBondContact O-N 3.42Å; L103-H105 PolarHBondContact O-N 2.96Å; L103-G106 PolarHBondContact O-N 3.32Å; L103-A107 WeakPolarHBondContact CD2-O 3.3Å; L103-V109 HydrophobicContact CD2-CB 3.99Å; L103-V109 HydrophobicContact CD2-CG2 4.23Å; L103-Y134 HydrophobicContact CB-CE1 4.44Å; L103-Y134 HydrophobicContact CD1-CD1 3.84Å; L103-Y134 HydrophobicContact CD1-CE1 3.5Å; L103-Y134 VanDerWaalsContact CD1-CE1 3.5Å; L103-L135 HydrophobicContact CD1-CD2 3.92Å; L103-H138 HydrophobicContact CD1-CB 3.99Å
104N98.3Very high98.3Very high119 Ų11947.4 Ų47.464%0.63627%0.267SS*.Hα-helixtrans-64-27.8175.1-68.7-15.8000112.6Q100 S101 G106Q100-N104 WeakPolarHBondContact O-CB 3.21Å; Q100-N104 PolarHBondContact O-N 3.41Å; Q100-N104 PolarHBondContact O-ND2 3.46Å; S101-N104 PolarHBondContact O-N 2.95Å; N104-G106 VanDerWaalsContact C-N 3.29Å
105H98.3Very high98.1Very high68 Ų6848.8 Ų48.832%0.31527%0.27SS..THydrogen-bonded Turntrans-87.58.9173.1-73.891.3000113.8L61 E62 I68 S101 L102 L103L61-H105 HydrophobicContact CD1-CB 3.88Å; E62-H105 VanDerWaalsContact CG-NE2 3.32Å; E62-H105 WeakPolarHBondContact CG-NE2 3.22Å; E62-H105 IonicContact OE1-CE1 2.61Å; E62-H105 IonicContact OE1-NE2 2.7Å; E62-H105 PolarHBondContact OE1-NE2 3.26Å; I68-H105 HydrophobicContact CD1-CB 3.69Å; S101-H105 PolarHBondContact O-N 3.3Å; S101-H105 PolarHBondContact O-ND1 2.83Å; L102-H105 CarbonylContact O-C 3.59Å; L102-H105 PolarHBondContact O-N 3.48Å; L103-H105 PolarHBondContact O-N 2.96Å
106G97.8Very high98Very high55 Ų5549.2 Ų49.257%0.56727%0.274SS*.THydrogen-bonded Turntrans88.519.7172.500000115.4L102 L103 N104 S108L102-G106 PolarHBondContact O-N 3.39Å; L103-G106 PolarHBondContact O-N 3.32Å; N104-G106 VanDerWaalsContact C-N 3.29Å; G106-S108 PolarHBondContact O-N 3.47Å
107A98.5Very high97.9Very high9 Ų946.8 Ų46.87%0.07426%0.262CS..  trans-58.3136.417200000110.9I68 E69 L87 L102 L103 V109I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.92Å; E69-A107 VanDerWaalsContact OE1-CA 3.27Å; E69-A107 WeakPolarHBondContact OE1-CA 3.34Å; L87-A107 HydrophobicContact CB-CB 4.23Å; L87-A107 HydrophobicContact CD2-CB 4.08Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.47Å; L102-A107 PolarHBondContact O-N 2.82Å; L103-A107 WeakPolarHBondContact CD2-O 3.3Å; A107-V109 PolarHBondContact O-N 3.31Å
108S98.4Very high97.9Very high59 Ų5940 Ų4041%0.41323%0.232SC..  trans-71.6114174.8174.70000110.1E69 G106 N110 N111E69-S108 PolarHBondContact OE1-N 3.02Å; G106-S108 PolarHBondContact O-N 3.47Å; S108-N110 PolarHBondContact O-N 3.2Å; S108-N111 PolarHBondContact O-N 3.3Å
109V98.6Very high97.9Very high18 Ų1839.9 Ų39.911%0.10923%0.232CC..THydrogen-bonded Turntrans-58-25.1-176.672.60000113.8L103 A107 P119 L135 A140L103-V109 HydrophobicContact CD2-CB 3.99Å; L103-V109 HydrophobicContact CD2-CG2 4.23Å; A107-V109 PolarHBondContact O-N 3.31Å; V109-P119 WeakPolarHBondContact O-CD 3.15Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; V109-L135 HydrophobicContact CG2-CD2 3.98Å; V109-A140 HydrophobicContact CG2-CB 3.71Å
110N98.3Very high97.9Very high51 Ų5139.9 Ų39.927%0.27323%0.232SC..THydrogen-bonded Turntrans-1127.3-175.7-68.2-43.1000113.7S108 T112 K139 A140 D141S108-N110 PolarHBondContact O-N 3.2Å; N110-T112 VanDerWaalsContact O-CG2 3.29Å; N110-T112 WeakPolarHBondContact O-CG2 3.32Å; N110-T112 PolarHBondContact O-N 2.98Å; N110-K139 PolarHBondContact ND2-O 2.89Å; N110-A140 WeakPolarHBondContact OD1-CA 3.47Å; N110-D141 PolarHBondContact OD1-N 2.95Å
111N97.8Very high97.9Very high56 Ų5637.7 Ų37.730%0.29922%0.221SC..  trans-67.3134.8178.9-166.114.6000111.2E69 P85 S108 P119E69-N111 WeakPolarHBondContact OE2-CB 3.33Å; E69-N111 PolarHBondContact OE2-ND2 2.82Å; P85-N111 HydrophobicContact CG-CB 4.31Å; S108-N111 PolarHBondContact O-N 3.3Å; N111-P119 WeakPolarHBondContact O-CD 3.3Å
112T97.8Very high97.8Very high35 Ų3537.5 Ų37.522%0.21522%0.22CC..  trans-112.3157.2-165.665.20000114.5N110 N116 S117 T118N110-T112 VanDerWaalsContact O-CG2 3.29Å; N110-T112 WeakPolarHBondContact O-CG2 3.32Å; N110-T112 PolarHBondContact O-N 2.98Å; T112-N116 PolarHBondContact OG1-OD1 3.49Å; T112-S117 WeakPolarHBondContact CA-O 3.4Å; T112-S117 WeakPolarHBondContact CB-O 3.27Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å
113T97.4Very high97.8Very high3 Ų337.5 Ų37.52%0.01822%0.22CC..BIsolated β-bridgetrans-64.4169.9162.566.90000111.1I81 E82 A84 W88 T115 N116 S117I81-T113 HydrophobicContact CG2-CG2 3.56Å; E82-T113 WeakPolarHBondContact O-CB 3.39Å; A84-T113 HydrophobicContact CB-CG2 4.03Å; W88-T113 HydrophobicContact CD2-CG2 3.7Å; W88-T113 HydrophobicContact CE3-CG2 4.34Å; W88-T113 HydrophobicContact CG-CG2 3.9Å; W88-T113 HydrophobicContact CZ2-CG2 4.09Å; T113-T115 PolarHBondContact O-N 3.36Å; T113-T115 PolarHBondContact OG1-N 3.46Å; T113-T115 PolarHBondContact OG1-OG1 3.34Å; T113-T115 VanDerWaalsContact OG1-OG1 3.11Å; T113-N116 WeakPolarHBondContact O-CA 3.5Å; T113-N116 PolarHBondContact O-N 3.05Å; T113-S117 PolarHBondContact N-O 2.78Å; T113-S117 VanDerWaalsContact N-O 3.08Å; T113-S117 WeakPolarHBondContact OG1-CB 3.12Å; T113-S117 PolarHBondContact OG1-N 3.06Å; T113-S117 VanDerWaalsContact OG1-N 3.1Å
114L95.8Very high97.8Very high141 Ų14136.4 Ų36.474%0.73821%0.214SC*.THydrogen-bonded Turntrans-59.3-19174.6-61-171.4000115E82 N116E82-L114 HydrophobicContact CB-CB 4.46Å; E82-L114 HydrophobicContact CB-CD1 3.7Å; E82-L114 HydrophobicContact CB-CG 4.13Å; E82-L114 PolarHBondContact O-N 3.1Å; L114-N116 VanDerWaalsContact C-N 3.32Å
115T93.6Very high97.8Very high56 Ų5634.1 Ų34.134%0.34420%0.198SC..THydrogen-bonded Turntrans-92.314.1175630000114T113 R147T113-T115 PolarHBondContact O-N 3.36Å; T113-T115 PolarHBondContact OG1-N 3.46Å; T113-T115 PolarHBondContact OG1-OG1 3.34Å; T113-T115 VanDerWaalsContact OG1-OG1 3.11Å; T115-R147 PolarHBondContact O-N 2.95Å; T115-R147 VanDerWaalsContact O-N 3.15Å
116N97Very high97.8Very high68 Ų6833.4 Ų33.436%0.36420%0.197SC..THydrogen-bonded Turntrans60.451.6-174.2-151.438.5000112.5T112 T113 L114 R121 S145 N146T112-N116 PolarHBondContact OG1-OD1 3.49Å; T113-N116 WeakPolarHBondContact O-CA 3.5Å; T113-N116 PolarHBondContact O-N 3.05Å; L114-N116 VanDerWaalsContact C-N 3.32Å; N116-R121 PolarHBondContact O-NH2 3Å; N116-S145 PolarHBondContact ND2-O 3.31Å; N116-N146 WeakPolarHBondContact O-CA 3.29Å
117S97.2Very high97.8Very high4 Ų432 Ų323%0.02818%0.183CC..BIsolated β-bridgetrans-102.2114.3176.2-158.30000112.1W88 T112 T113 R121W88-S117 VanDerWaalsContact NE1-CB 3.3Å; W88-S117 PolarHBondContact NE1-O 3.24Å; W88-S117 PolarHBondContact NE1-OG 3.43Å; T112-S117 WeakPolarHBondContact CA-O 3.4Å; T112-S117 WeakPolarHBondContact CB-O 3.27Å; T113-S117 PolarHBondContact N-O 2.78Å; T113-S117 VanDerWaalsContact N-O 3.08Å; T113-S117 WeakPolarHBondContact OG1-CB 3.12Å; T113-S117 PolarHBondContact OG1-N 3.06Å; T113-S117 VanDerWaalsContact OG1-N 3.1Å; S117-R121 VanDerWaalsContact CA-CZ 3.43Å; S117-R121 VanDerWaalsContact CB-CZ 3.44Å; S117-R121 PolarHBondContact OG-NH1 3.08Å; S117-R121 PolarHBondContact OG-NH2 3.08Å
118T98.3Very high97.8Very high0 Ų034.2 Ų34.20%019%0.191CC..  trans-76.5155.4172.958.10000110.9W88 T112 L120 R121 A122 V144W88-T118 VanDerWaalsContact CD1-C 3.44Å; W88-T118 PolarHBondContact NE1-O 2.8Å; T112-T118 HydrophobicContact CG2-CG2 3.73Å; T118-L120 PolarHBondContact O-N 2.83Å; T118-R121 PolarHBondContact O-N 2.91Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.24Å; T118-R121 VanDerWaalsContact OG1-N 3.11Å; T118-A122 PolarHBondContact O-N 3.06Å; T118-A122 VanDerWaalsContact O-N 3.1Å; T118-V144 HydrophobicContact CG2-CB 3.69Å; T118-V144 HydrophobicContact CG2-CG1 3.51Å; T118-V144 HydrophobicContact CG2-CG2 4.29Å
119P98.7Very high97.8Very high0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-55.9-38170.7-24.934.5000112.3L87 W88 S91 V109 N111 A122 A123 L135L87-P119 HydrophobicContact CB-CG 4.33Å; L87-P119 HydrophobicContact CD2-CB 4.3Å; L87-P119 HydrophobicContact CD2-CG 3.91Å; L87-P119 HydrophobicContact CG-CB 3.94Å; L87-P119 HydrophobicContact CG-CG 3.84Å; W88-P119 HydrophobicContact CB-CG 4.22Å; S91-P119 WeakPolarHBondContact CB-O 3.32Å; V109-P119 WeakPolarHBondContact O-CD 3.15Å; V109-P119 WeakPolarHBondContact O-CG 3.44Å; N111-P119 WeakPolarHBondContact O-CD 3.3Å; P119-A122 WeakPolarHBondContact O-CB 3.3Å; P119-A122 PolarHBondContact O-N 3.32Å; P119-A123 PolarHBondContact O-N 3.17Å; P119-L135 HydrophobicContact CB-CD1 4.17Å
120L98.8Very high97.8Very high0 Ų037.5 Ų37.50%020%0.2CC..Hα-helixtrans-59.6-48.2175.1178.664.1000111.6T118 A122 A123 C124 V132 L135 V136 A140 L142T118-L120 PolarHBondContact O-N 2.83Å; L120-A122 VanDerWaalsContact C-N 3.28Å; L120-A122 PolarHBondContact O-N 3.35Å; L120-A123 PolarHBondContact O-N 3.27Å; L120-C124 WeakPolarHBondContact O-CB 3.35Å; L120-C124 PolarHBondContact O-N 2.9Å; L120-C124 PolarHBondContact O-SG 2.91Å; L120-V132 HydrophobicContact CD1-CB 4.27Å; L120-V132 HydrophobicContact CD1-CG1 3.9Å; L120-V132 HydrophobicContact CD1-CG2 4.28Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.2Å; L120-L135 HydrophobicContact CD1-CD1 4.45Å; L120-V136 HydrophobicContact CD1-CG2 3.8Å; L120-V136 HydrophobicContact CD2-CG2 4.08Å; L120-A140 HydrophobicContact CB-CB 4Å; L120-A140 HydrophobicContact CD2-CB 3.84Å; L120-A140 HydrophobicContact CG-CB 4.35Å; L120-L142 HydrophobicContact CD2-CD2 3.57Å
121R98.4Very high97.9Very high19 Ų1935.3 Ų35.37%0.07219%0.188CC..Hα-helixtrans-64.4-34179.4-17216958.975.9-18112.4N116 S117 T118 C124 F125 N146 I155N116-R121 PolarHBondContact O-NH2 3Å; S117-R121 VanDerWaalsContact CA-CZ 3.43Å; S117-R121 VanDerWaalsContact CB-CZ 3.44Å; S117-R121 PolarHBondContact OG-NH1 3.08Å; S117-R121 PolarHBondContact OG-NH2 3.08Å; T118-R121 PolarHBondContact O-N 2.91Å; T118-R121 WeakPolarHBondContact OG1-CB 3.41Å; T118-R121 PolarHBondContact OG1-N 3.24Å; T118-R121 VanDerWaalsContact OG1-N 3.11Å; R121-C124 PolarHBondContact O-N 3.48Å; R121-F125 WeakPolarHBondContact O-CB 3.46Å; R121-F125 PolarHBondContact O-N 3.44Å; R121-N146 VanDerWaalsContact CZ-CB 3.46Å; R121-I155 HydrophobicContact CG-CG1 4.15Å
122A98.1Very high97.9Very high3 Ų332.6 Ų32.63%0.02517%0.174CC..Hα-helixtrans-63.8-49.8172.400000112W88 A92 T118 P119 L120 C124 F125 D126W88-A122 HydrophobicContact CD2-CB 4.21Å; W88-A122 HydrophobicContact CG-CB 4.48Å; W88-A122 HydrophobicContact CZ2-CB 3.85Å; A92-A122 HydrophobicContact CB-CB 3.92Å; T118-A122 PolarHBondContact O-N 3.06Å; T118-A122 VanDerWaalsContact O-N 3.1Å; P119-A122 WeakPolarHBondContact O-CB 3.3Å; P119-A122 PolarHBondContact O-N 3.32Å; L120-A122 VanDerWaalsContact C-N 3.28Å; L120-A122 PolarHBondContact O-N 3.35Å; A122-C124 VanDerWaalsContact C-N 3.26Å; A122-C124 PolarHBondContact O-N 2.87Å; A122-F125 WeakPolarHBondContact O-CB 3.28Å; A122-F125 PolarHBondContact O-N 3.26Å; A122-D126 PolarHBondContact O-N 3.31Å; A122-D126 VanDerWaalsContact O-N 3.14Å
123A98.8Very high98Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-58.9-38.4175.600000112.3P119 L120 G127 H128 I131 V132 L135P119-A123 PolarHBondContact O-N 3.17Å; L120-A123 PolarHBondContact O-N 3.27Å; A123-G127 PolarHBondContact O-N 2.94Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 2.98Å; A123-I131 HydrophobicContact CB-CB 4.18Å; A123-I131 HydrophobicContact CB-CG2 3.67Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; A123-L135 HydrophobicContact CB-CD1 4.36Å
124C98.8Very high98Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-66.6-33.8174.1-69.10000113.4L120 R121 A122 V132 S156 H161 I164L120-C124 WeakPolarHBondContact O-CB 3.35Å; L120-C124 PolarHBondContact O-N 2.9Å; L120-C124 PolarHBondContact O-SG 2.91Å; R121-C124 PolarHBondContact O-N 3.48Å; A122-C124 VanDerWaalsContact C-N 3.26Å; A122-C124 PolarHBondContact O-N 2.87Å; C124-V132 VanDerWaalsContact SG-CG2 3.57Å; C124-S156 WeakPolarHBondContact CB-OG 3.4Å; C124-H161 PolarHBondContact O-CD2 2.93Å; C124-I164 HydrophobicContact CB-CG2 4.28Å
125F97.6Very high98.2Very high71 Ų7128.7 Ų28.731%0.31115%0.147SC..Hα-helixtrans-69.3-42.2178.4-174.2-91.2000111.5R121 A122 I155 K159 H161R121-F125 WeakPolarHBondContact O-CB 3.46Å; R121-F125 PolarHBondContact O-N 3.44Å; A122-F125 WeakPolarHBondContact O-CB 3.28Å; A122-F125 PolarHBondContact O-N 3.26Å; F125-I155 HydrophobicContact CB-CG2 3.71Å; F125-I155 HydrophobicContact CD2-CD1 4.33Å; F125-I155 HydrophobicContact CD2-CG2 3.65Å; F125-I155 HydrophobicContact CG-CG2 4.13Å; F125-K159 HydrophobicContact CD2-CG 4.36Å; F125-K159 VanDerWaalsContact CE1-NZ 3.27Å; F125-K159 HydrophobicContact CE2-CD 4.45Å; F125-K159 WeakPolarHBondContact O-CE 3.25Å; F125-H161 PolarHBondContact O-NE2 2.89Å
126D97.5Very high98.4Very high53 Ų5327.1 Ų27.128%0.28314%0.137SC..Hα-helixtrans-93-4.5-175.1-67.2-45.4000114.3A122 H128A122-D126 PolarHBondContact O-N 3.31Å; A122-D126 VanDerWaalsContact O-N 3.14Å; D126-H128 WeakPolarHBondContact CB-NE2 3.41Å
127G98.4Very high98.5Very high26 Ų2630 Ų3027%0.26815%0.148SC..THydrogen-bonded Turntrans89.521170.300000115.3A123 L129 H161A123-G127 PolarHBondContact O-N 2.94Å; G127-L129 PolarHBondContact O-N 3.43Å; G127-H161 WeakPolarHBondContact CA-NE2 3.35Å; G127-H161 PolarHBondContact N-NE2 3.44Å
128H98.7Very high98.5Very high55 Ų5533.2 Ų33.226%0.25516%0.163SC..  trans-85.874.5-175.5-58.3-56.1000112.6S91 A92 G94 A123 D126 E130 I131 V132S91-H128 PolarHBondContact O-CD2 3.43Å; A92-H128 PolarHBondContact O-CD2 3.06Å; A92-H128 PolarHBondContact O-NE2 2.95Å; G94-H128 VanDerWaalsContact CA-CE1 3.4Å; G94-H128 WeakPolarHBondContact CA-CE1 3.22Å; G94-H128 WeakPolarHBondContact CA-ND1 3.31Å; G94-H128 WeakPolarHBondContact CA-NE2 3.28Å; G94-H128 PolarHBondContact N-NE2 3.28Å; A123-H128 HydrophobicContact CB-CB 4.35Å; A123-H128 PolarHBondContact O-N 2.98Å; D126-H128 WeakPolarHBondContact CB-NE2 3.41Å; H128-E130 VanDerWaalsContact C-N 3.34Å; H128-E130 PolarHBondContact O-N 2.87Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.98Å; H128-I131 HydrophobicContact CB-CG1 4.22Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 2.98Å; H128-V132 PolarHBondContact O-N 3.03Å
129L98.8Very high98.5Very high41 Ų4141.7 Ų41.722%0.21520%0.2CC..Hα-helixtrans-51.6-45.1-174.1178.263.4000114.3G127 I131 V132 K133 E163 I164G127-L129 PolarHBondContact O-N 3.43Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.18Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 2.94Å; L129-K133 HydrophobicContact CD1-CG 4.42Å; L129-K133 HydrophobicContact CG-CD 4.46Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.03Å; L129-E163 HydrophobicContact CD1-CB 4.46Å; L129-E163 HydrophobicContact CD2-CB 3.93Å; L129-I164 HydrophobicContact CB-CG1 4.09Å; L129-I164 HydrophobicContact CD1-CG1 3.78Å
130E98.8Very high98.5Very high106 Ų10642.1 Ų42.150%0.49520%0.203SC..Hα-helixtrans-68.6-31.3-177.7-61.5-53.6121.900112.3L96 H128 K133 Y134L96-E130 HydrophobicContact CD2-CB 4.19Å; H128-E130 VanDerWaalsContact C-N 3.34Å; H128-E130 PolarHBondContact O-N 2.87Å; E130-K133 IonicContact OE1-NZ 2.65Å; E130-K133 PolarHBondContact OE1-NZ 3.31Å; E130-K133 IonicContact OE2-NZ 3.43Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.36Å; E130-Y134 VanDerWaalsContact O-N 3.1Å
131I98.9Very high98.5Very high4 Ų445.6 Ų45.62%0.02122%0.222CC..Hα-helixtrans-70.1-42.7171.4-66178.9000110.1G94 L96 V99 A123 H128 L129 K133 Y134 L135G94-I131 VanDerWaalsContact C-CD1 3.45Å; L96-I131 HydrophobicContact CB-CD1 4.46Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.86Å; V99-I131 HydrophobicContact CG1-CG2 4.32Å; V99-I131 HydrophobicContact CG2-CD1 4.18Å; V99-I131 HydrophobicContact CG2-CG2 4.18Å; A123-I131 HydrophobicContact CB-CB 4.18Å; A123-I131 HydrophobicContact CB-CG2 3.67Å; H128-I131 HydrophobicContact CB-CB 4.02Å; H128-I131 HydrophobicContact CB-CD1 3.98Å; H128-I131 HydrophobicContact CB-CG1 4.22Å; H128-I131 WeakPolarHBondContact O-CB 3.31Å; H128-I131 PolarHBondContact O-N 2.98Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.18Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.33Å; I131-Y134 PolarHBondContact O-N 3.49Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.01Å; I131-L135 WeakPolarHBondContact O-CB 3.39Å; I131-L135 VanDerWaalsContact O-CG 3.26Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.47Å
132V98.9Very high98.5Very high0 Ų045.5 Ų45.50%022%0.222CC..Hα-helixtrans-55.6-50.4175.2167.70000110.7L120 A123 C124 H128 L129 Y134 L135 V136 I164 Y167 L168L120-V132 HydrophobicContact CD1-CB 4.27Å; L120-V132 HydrophobicContact CD1-CG1 3.9Å; L120-V132 HydrophobicContact CD1-CG2 4.28Å; A123-V132 HydrophobicContact CB-CG2 3.76Å; C124-V132 VanDerWaalsContact SG-CG2 3.57Å; H128-V132 PolarHBondContact O-N 3.03Å; L129-V132 WeakPolarHBondContact O-CB 3.47Å; L129-V132 PolarHBondContact O-N 2.94Å; V132-Y134 PolarHBondContact O-N 2.88Å; V132-L135 PolarHBondContact O-N 3.02Å; V132-V136 VanDerWaalsContact O-CG2 3.27Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.67Å; V132-I164 HydrophobicContact CG1-CG2 4.23Å; V132-I164 HydrophobicContact CG2-CD1 4.16Å; V132-I164 HydrophobicContact CG2-CG2 4.2Å; V132-Y167 HydrophobicContact CG1-CD1 3.85Å; V132-Y167 HydrophobicContact CG1-CE1 4.07Å; V132-L168 HydrophobicContact CG1-CD2 4.4Å
133K98.9Very high98.5Very high62 Ų6248.4 Ų48.427%0.2724%0.236SC..Hα-helixtrans-56.6-51.3177.7-71174.3-176.5162.80111.5L129 E130 I131 L135 V136 E137 Y167L129-K133 HydrophobicContact CD1-CG 4.42Å; L129-K133 HydrophobicContact CG-CD 4.46Å; L129-K133 WeakPolarHBondContact O-CG 3.23Å; L129-K133 PolarHBondContact O-N 3.03Å; E130-K133 IonicContact OE1-NZ 2.65Å; E130-K133 PolarHBondContact OE1-NZ 3.31Å; E130-K133 IonicContact OE2-NZ 3.43Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.33Å; K133-L135 PolarHBondContact O-N 2.89Å; K133-V136 PolarHBondContact O-N 3.35Å; K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.39Å; K133-Y167 HydrophobicContact CB-CE1 4.41Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.22Å; K133-Y167 HydrophobicContact CG-CE1 4.01Å; K133-Y167 HydrophobicContact CG-CE2 3.9Å; K133-Y167 HydrophobicContact CG-CG 4.41Å
134Y98.8Very high98.4Very high34 Ų3450 Ų5013%0.13325%0.245CC..Hα-helixtrans-60.1-46.7-178.4-169.9-96000112.5L96 V99 Q100 L103 E130 I131 V132 V136 E137 H138L96-Y134 HydrophobicContact CD1-CG 4.39Å; V99-Y134 HydrophobicContact CG1-CD1 4.09Å; Q100-Y134 HydrophobicContact CB-CE1 4.35Å; Q100-Y134 HydrophobicContact CG-CD1 4.25Å; Q100-Y134 HydrophobicContact CG-CD2 4.25Å; Q100-Y134 HydrophobicContact CG-CE1 3.78Å; Q100-Y134 HydrophobicContact CG-CE2 3.77Å; Q100-Y134 HydrophobicContact CG-CG 4.47Å; L103-Y134 HydrophobicContact CB-CE1 4.44Å; L103-Y134 HydrophobicContact CD1-CD1 3.84Å; L103-Y134 HydrophobicContact CD1-CE1 3.5Å; L103-Y134 VanDerWaalsContact CD1-CE1 3.5Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.36Å; E130-Y134 VanDerWaalsContact O-N 3.1Å; I131-Y134 PolarHBondContact O-N 3.49Å; V132-Y134 PolarHBondContact O-N 2.88Å; Y134-V136 VanDerWaalsContact C-N 3.34Å; Y134-V136 PolarHBondContact O-N 3.28Å; Y134-E137 PolarHBondContact O-N 3.37Å; Y134-H138 AromaticContact CD1-ND1 3.84Å; Y134-H138 AromaticContact CD2-CE1 3.82Å; Y134-H138 AromaticContact CE1-CE1 3.63Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.49Å; Y134-H138 AromaticContact CE2-ND1 3.94Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.72Å; Y134-H138 AromaticContact CZ-NE2 3.56Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 VanDerWaalsContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 2.9Å; Y134-H138 PolarHBondContact OH-NE2 3.06Å
135L98.9Very high98.3Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-61.1-42.8178.4-70.9175000111.4L87 V99 L103 V109 P119 L120 A123 I131 V132 K133 H138 K139 A140L87-L135 HydrophobicContact CD1-CD2 4.35Å; V99-L135 HydrophobicContact CG1-CD2 3.92Å; V99-L135 HydrophobicContact CG1-CG 4.41Å; L103-L135 HydrophobicContact CD1-CD2 3.92Å; V109-L135 HydrophobicContact CG2-CD2 3.98Å; P119-L135 HydrophobicContact CB-CD1 4.17Å; L120-L135 HydrophobicContact CB-CD1 4.24Å; L120-L135 HydrophobicContact CD1-CB 4.2Å; L120-L135 HydrophobicContact CD1-CD1 4.45Å; A123-L135 HydrophobicContact CB-CD1 4.36Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.01Å; I131-L135 WeakPolarHBondContact O-CB 3.39Å; I131-L135 VanDerWaalsContact O-CG 3.26Å; I131-L135 WeakPolarHBondContact O-CG 3.24Å; I131-L135 PolarHBondContact O-N 3.47Å; V132-L135 PolarHBondContact O-N 3.02Å; K133-L135 PolarHBondContact O-N 2.89Å; L135-H138 CarbonylContact O-C 3.5Å; L135-H138 VanDerWaalsContact O-C 3.26Å; L135-H138 WeakPolarHBondContact O-CA 3.42Å; L135-H138 PolarHBondContact O-N 2.96Å; L135-H138 VanDerWaalsContact O-N 3.08Å; L135-K139 PolarHBondContact O-N 3.45Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.91Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.19Å
136V98.7Very high98.2Very high23 Ų2349 Ų4914%0.13925%0.245CC..Hα-helixtrans-65.6-40.9178.1173.80000111.7L120 V132 K133 Y134 H138 K139 L142 Y167 K171L120-V136 HydrophobicContact CD1-CG2 3.8Å; L120-V136 HydrophobicContact CD2-CG2 4.08Å; V132-V136 VanDerWaalsContact O-CG2 3.27Å; V132-V136 WeakPolarHBondContact O-CG2 3.44Å; V132-V136 PolarHBondContact O-N 2.67Å; K133-V136 PolarHBondContact O-N 3.35Å; Y134-V136 VanDerWaalsContact C-N 3.34Å; Y134-V136 PolarHBondContact O-N 3.28Å; V136-H138 PolarHBondContact O-N 3.1Å; V136-K139 PolarHBondContact O-N 3.47Å; V136-L142 HydrophobicContact CB-CD2 4.48Å; V136-L142 HydrophobicContact CG1-CD2 4.21Å; V136-L142 HydrophobicContact CG2-CD2 3.47Å; V136-L142 VanDerWaalsContact CG2-CD2 3.47Å; V136-Y167 HydrophobicContact CB-CE1 3.99Å; V136-Y167 HydrophobicContact CG1-CE1 4.2Å; V136-Y167 HydrophobicContact CG2-CE1 4Å; V136-K171 HydrophobicContact CG1-CB 4.37Å; V136-K171 HydrophobicContact CG1-CD 4.35Å; V136-K171 HydrophobicContact CG1-CG 4.06Å
137E98.4Very high97.9Very high128 Ų12854.5 Ų54.560%0.59826%0.262SS*.Hα-helixtrans-60-28.3172.4-71.5168.5179.600112.2K133 Y134 K139K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.39Å; Y134-E137 PolarHBondContact O-N 3.37Å; E137-K139 VanDerWaalsContact C-N 3.33Å
138H98.4Very high97.7Very high72 Ų7257.4 Ų57.433%0.33327%0.268SS..THydrogen-bonded Turntrans-96.127.4176.4-66.472.6000113.2L103 Y134 L135 V136 A140L103-H138 HydrophobicContact CD1-CB 3.99Å; Y134-H138 AromaticContact CD1-ND1 3.84Å; Y134-H138 AromaticContact CD2-CE1 3.82Å; Y134-H138 AromaticContact CE1-CE1 3.63Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE2-CE1 3.3Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.49Å; Y134-H138 AromaticContact CE2-ND1 3.94Å; Y134-H138 AromaticContact CZ-CE1 3.17Å; Y134-H138 AromaticContact CZ-ND1 3.72Å; Y134-H138 AromaticContact CZ-NE2 3.56Å; Y134-H138 PolarHBondContact O-N 2.99Å; Y134-H138 VanDerWaalsContact O-N 3.08Å; Y134-H138 PolarHBondContact O-ND1 2.9Å; Y134-H138 PolarHBondContact OH-NE2 3.06Å; L135-H138 CarbonylContact O-C 3.5Å; L135-H138 VanDerWaalsContact O-C 3.26Å; L135-H138 WeakPolarHBondContact O-CA 3.42Å; L135-H138 PolarHBondContact O-N 2.96Å; L135-H138 VanDerWaalsContact O-N 3.08Å; V136-H138 PolarHBondContact O-N 3.1Å; H138-A140 PolarHBondContact O-N 3.06Å
139K98Very high97.6Very high179 Ų17954.8 Ų54.878%0.77826%0.257SS*.THydrogen-bonded Turntrans66.530.6172.5-49.5175-179.5175.50114.5N110 L135 V136 E137 D141N110-K139 PolarHBondContact ND2-O 2.89Å; L135-K139 PolarHBondContact O-N 3.45Å; V136-K139 PolarHBondContact O-N 3.47Å; E137-K139 VanDerWaalsContact C-N 3.33Å; K139-D141 PolarHBondContact O-N 3.46Å
140A98.6Very high97.6Very high8 Ų855.1 Ų55.17%0.06626%0.257CS..  trans-60.3132.4164.100000110.3V109 N110 L120 L135 H138V109-A140 HydrophobicContact CG2-CB 3.71Å; N110-A140 WeakPolarHBondContact OD1-CA 3.47Å; L120-A140 HydrophobicContact CB-CB 4Å; L120-A140 HydrophobicContact CD2-CB 3.84Å; L120-A140 HydrophobicContact CG-CB 4.35Å; L135-A140 VanDerWaalsContact C-CB 3.48Å; L135-A140 HydrophobicContact CB-CB 3.91Å; L135-A140 WeakPolarHBondContact O-CB 3.41Å; L135-A140 PolarHBondContact O-N 3.19Å; H138-A140 PolarHBondContact O-N 3.06Å
141D98.3Very high97.6Very high73 Ų7350.1 Ų50.139%0.3923%0.234SC..  trans-82.1120.4179.3-174.6-14.3000110N110 K139 E143 V144N110-D141 PolarHBondContact OD1-N 2.95Å; K139-D141 PolarHBondContact O-N 3.46Å; D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.27Å; D141-E143 PolarHBondContact OD1-N 3.41Å; D141-V144 HydrophobicContact CB-CG2 3.71Å
142L98.2Very high97.5Very high17 Ų1750 Ų509%0.08923%0.233CC..THydrogen-bonded Turntrans-69.3-27.3-178.3-49.3-173.1000112.2L120 V136 L168 K171 A173L120-L142 HydrophobicContact CD2-CD2 3.57Å; V136-L142 HydrophobicContact CB-CD2 4.48Å; V136-L142 HydrophobicContact CG1-CD2 4.21Å; V136-L142 HydrophobicContact CG2-CD2 3.47Å; V136-L142 VanDerWaalsContact CG2-CD2 3.47Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; L142-K171 HydrophobicContact CD1-CB 3.84Å; L142-A173 HydrophobicContact CD1-CB 4.25Å
143E98Very high97.5Very high65 Ų6550 Ų5030%0.30423%0.234SC..THydrogen-bonded Turntrans-99.9-3-166.2-64.1-55.5140.100113.6D141 S145 A173 D174D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.27Å; D141-E143 PolarHBondContact OD1-N 3.41Å; E143-S145 PolarHBondContact O-N 2.93Å; E143-A173 VanDerWaalsContact OE1-CA 3.31Å; E143-A173 WeakPolarHBondContact OE1-CA 3.2Å; E143-D174 PolarHBondContact OE1-N 3.04Å
144V97.2Very high97.5Very high32 Ų3247.2 Ų47.219%0.19422%0.221CC..  trans-63.8106.8172.1178.50000109.4T118 D141T118-V144 HydrophobicContact CG2-CB 3.69Å; T118-V144 HydrophobicContact CG2-CG1 3.51Å; T118-V144 HydrophobicContact CG2-CG2 4.29Å; D141-V144 HydrophobicContact CB-CG2 3.71Å
145S96.4Very high97.5Very high30 Ų3046.2 Ų46.221%0.2122%0.218CC..  trans-89.1149.6-179.574.80000112.5N116 E143 H150 R177N116-S145 PolarHBondContact ND2-O 3.31Å; E143-S145 PolarHBondContact O-N 2.93Å; S145-H150 VanDerWaalsContact CA-O 3.28Å; S145-H150 WeakPolarHBondContact CA-O 3.22Å; S145-R177 PolarHBondContact OG-NH2 2.95Å
146N94.6Very high97.5Very high20 Ų2046.2 Ų46.211%0.10722%0.218CC..  trans-67177.8171.777.80.7000112.6N116 R121 H148 G149 H150N116-N146 WeakPolarHBondContact O-CA 3.29Å; R121-N146 VanDerWaalsContact CZ-CB 3.46Å; N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 VanDerWaalsContact OD1-C 3.31Å; N146-H148 VanDerWaalsContact OD1-CA 3.25Å; N146-H148 WeakPolarHBondContact OD1-CA 3.49Å; N146-H148 WeakPolarHBondContact OD1-CB 3.42Å; N146-H148 PolarHBondContact OD1-N 3.03Å; N146-G149 PolarHBondContact O-N 3.5Å; N146-G149 PolarHBondContact OD1-N 3.5Å; N146-H150 PolarHBondContact N-O 3.24Å; N146-H150 PolarHBondContact OD1-N 3Å
147R92.8Very high97.5Very high169 Ų16945.1 Ų45.164%0.63821%0.212SC*.THydrogen-bonded Turntrans-57.3-15.3176.275.2179-154.2171.28.1115.4T115T115-R147 PolarHBondContact O-N 2.95Å; T115-R147 VanDerWaalsContact O-N 3.15Å
148H93.8Very high97.5Very high87 Ų8744.7 Ų44.740%0.40321%0.205SC..THydrogen-bonded Turntrans-1000.9176.5-59.4-62.9000112.7N146 S179 V180N146-H148 PolarHBondContact O-N 3.31Å; N146-H148 VanDerWaalsContact OD1-C 3.31Å; N146-H148 VanDerWaalsContact OD1-CA 3.25Å; N146-H148 WeakPolarHBondContact OD1-CA 3.49Å; N146-H148 WeakPolarHBondContact OD1-CB 3.42Å; N146-H148 PolarHBondContact OD1-N 3.03Å; H148-S179 WeakPolarHBondContact O-CB 3.24Å; H148-V180 VanDerWaalsContact C-CG2 3.5Å; H148-V180 WeakPolarHBondContact O-CB 3.15Å; H148-V180 WeakPolarHBondContact O-CG2 3.46Å; H148-V180 PolarHBondContact O-N 2.91Å
149G96.8Very high97.4Very high1 Ų145.4 Ų45.41%0.0121%0.207CC..  trans8310.6-179.200000114.8N146 R177N146-G149 PolarHBondContact O-N 3.5Å; N146-G149 PolarHBondContact OD1-N 3.5Å; G149-R177 PolarHBondContact O-NH2 3.21Å
150H98Very high97.4Very high47 Ų4738.4 Ų38.422%0.21819%0.186CC..  trans-79125.5178.1-57.9149.2000112.2S145 N146 M154 I155S145-H150 VanDerWaalsContact CA-O 3.28Å; S145-H150 WeakPolarHBondContact CA-O 3.22Å; N146-H150 PolarHBondContact N-O 3.24Å; N146-H150 PolarHBondContact OD1-N 3Å; H150-M154 HydrophobicContact CB-CB 4.49Å; H150-M154 HydrophobicContact CB-SD 4.4Å; H150-I155 HydrophobicContact CB-CD1 4.18Å; H150-I155 HydrophobicContact CB-CG1 4.19Å
151T98.2Very high97.4Very high2 Ų240.4 Ų40.41%0.01219%0.194CC..  trans-89.6175.2175.765.40000111.8L153 M154 I155 R177T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.02Å; T151-M154 HydrophobicContact CG2-SD 4.39Å; T151-M154 PolarHBondContact N-SD 3.14Å; T151-M154 PolarHBondContact O-N 3.04Å; T151-M154 PolarHBondContact OG1-N 3.22Å; T151-I155 WeakPolarHBondContact O-CG1 3.36Å; T151-I155 PolarHBondContact O-N 3.36Å; T151-R177 HydrophobicContact CG2-CB 4.27Å; T151-R177 HydrophobicContact CG2-CG 4.12Å
152C98.7Very high97.4Very high1 Ų140.3 Ų40.31%0.00719%0.19CC..Hα-helixtrans-60.3-40.4175-65.90000112.2S156 L168C152-S156 WeakPolarHBondContact O-CB 3.32Å; C152-S156 PolarHBondContact O-N 2.69Å; C152-S156 PolarHBondContact O-OG 3.44Å; C152-L168 HydrophobicContact CB-CD1 3.82Å; C152-L168 HydrophobicContact CB-CD2 4.27Å
153L98.8Very high97.4Very high1 Ų145.2 Ų45.21%0.00521%0.212CC..Hα-helixtrans-64.5-48.1178.8179.162.4000111.4T151 I155 S156 C157 A165 L168 L169 A173 V175 A185 L201T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.02Å; L153-I155 PolarHBondContact O-N 3.46Å; L153-S156 PolarHBondContact O-N 3.04Å; L153-C157 WeakPolarHBondContact O-CB 3.21Å; L153-C157 PolarHBondContact O-N 3.23Å; L153-C157 PolarHBondContact O-SG 3.33Å; L153-A165 HydrophobicContact CD1-CB 4.09Å; L153-L168 HydrophobicContact CB-CD1 4.47Å; L153-L168 HydrophobicContact CD1-CB 4.48Å; L153-L169 HydrophobicContact CD1-CD1 4.37Å; L153-L169 HydrophobicContact CD1-CD2 4.23Å; L153-L169 HydrophobicContact CD1-CG 3.96Å; L153-L169 HydrophobicContact CD2-CD2 3.71Å; L153-L169 HydrophobicContact CD2-CG 4.35Å; L153-A173 HydrophobicContact CB-CB 4.24Å; L153-A173 HydrophobicContact CD2-CB 4.25Å; L153-V175 HydrophobicContact CD2-CB 4.5Å; L153-A185 HydrophobicContact CD2-CB 4.02Å; L153-A185 HydrophobicContact CG-CB 3.89Å; L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.4Å
154M98.7Very high97.5Very high2 Ų242.3 Ų42.31%0.0120%0.199CC..Hα-helixtrans-53.4-52.2176.7-77.1173-175.100112.4H150 T151 S156 C157 Y158 R177 A185 D188H150-M154 HydrophobicContact CB-CB 4.49Å; H150-M154 HydrophobicContact CB-SD 4.4Å; T151-M154 HydrophobicContact CG2-SD 4.39Å; T151-M154 PolarHBondContact N-SD 3.14Å; T151-M154 PolarHBondContact O-N 3.04Å; T151-M154 PolarHBondContact OG1-N 3.22Å; M154-S156 PolarHBondContact O-N 3.42Å; M154-C157 PolarHBondContact O-N 2.97Å; M154-Y158 WeakPolarHBondContact O-CB 3.1Å; M154-Y158 PolarHBondContact O-N 3.46Å; M154-R177 HydrophobicContact CE-CB 3.93Å; M154-R177 WeakPolarHBondContact CE-O 3.41Å; M154-A185 HydrophobicContact CG-CB 4.29Å; M154-D188 WeakPolarHBondContact CA-OD2 3.43Å; M154-D188 WeakPolarHBondContact CB-OD2 3.31Å; M154-D188 VanDerWaalsContact CG-OD2 3.32Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å
155I98Very high97.5Very high14 Ų1440.8 Ų40.87%0.07219%0.19CC..Hα-helixtrans-62-42.9179.4-68.3-72.1000111.5R121 F125 H150 T151 L153 C157 Y158 K159R121-I155 HydrophobicContact CG-CG1 4.15Å; F125-I155 HydrophobicContact CB-CG2 3.71Å; F125-I155 HydrophobicContact CD2-CD1 4.33Å; F125-I155 HydrophobicContact CD2-CG2 3.65Å; F125-I155 HydrophobicContact CG-CG2 4.13Å; H150-I155 HydrophobicContact CB-CD1 4.18Å; H150-I155 HydrophobicContact CB-CG1 4.19Å; T151-I155 WeakPolarHBondContact O-CG1 3.36Å; T151-I155 PolarHBondContact O-N 3.36Å; L153-I155 PolarHBondContact O-N 3.46Å; I155-C157 VanDerWaalsContact C-N 3.32Å; I155-C157 PolarHBondContact O-N 2.94Å; I155-Y158 PolarHBondContact O-N 3.12Å; I155-K159 WeakPolarHBondContact O-CB 3.47Å; I155-K159 WeakPolarHBondContact O-CG 3.46Å; I155-K159 PolarHBondContact O-N 3.34Å
156S98.6Very high97.7Very high0 Ų043 Ų430%020%0.197CC..Hα-helixtrans-62.1-41.8178.7-55.10000111.4C124 C152 L153 M154 G160 H161 I164C124-S156 WeakPolarHBondContact CB-OG 3.4Å; C152-S156 WeakPolarHBondContact O-CB 3.32Å; C152-S156 PolarHBondContact O-N 2.69Å; C152-S156 PolarHBondContact O-OG 3.44Å; L153-S156 PolarHBondContact O-N 3.04Å; M154-S156 PolarHBondContact O-N 3.42Å; S156-G160 PolarHBondContact O-N 3.4Å; S156-H161 PolarHBondContact O-N 3.28Å; S156-I164 VanDerWaalsContact OG-CG2 3.26Å; S156-I164 WeakPolarHBondContact OG-CG2 3.33Å
157C98.7Very high97.9Very high0 Ų043.1 Ų43.10%020%0.196CC..Hα-helixtrans-66.2-44.8175.7-68.70000112.2L153 M154 I155 K159 G160 D188 C189 S192 I197L153-C157 WeakPolarHBondContact O-CB 3.21Å; L153-C157 PolarHBondContact O-N 3.23Å; L153-C157 PolarHBondContact O-SG 3.33Å; M154-C157 PolarHBondContact O-N 2.97Å; I155-C157 VanDerWaalsContact C-N 3.32Å; I155-C157 PolarHBondContact O-N 2.94Å; C157-K159 VanDerWaalsContact C-N 3.31Å; C157-K159 PolarHBondContact O-N 3.46Å; C157-G160 PolarHBondContact O-N 3.24Å; C157-D188 HydrophobicContact CB-CB 4.43Å; C157-C189 HydrophobicContact CB-CB 4.18Å; C157-S192 WeakPolarHBondContact O-CB 3.38Å; C157-S192 PolarHBondContact O-OG 3.46Å; C157-I197 HydrophobicContact CB-CG2 4.19Å; C157-I197 VanDerWaalsContact SG-CG2 3.59Å
158Y97.9Very high98.1Very high119 Ų11935 Ų3547%0.46717%0.165SC..Hα-helixtrans-59.3-42.4177.2-178.1-107.3000112.2M154 I155 G160 S192M154-Y158 WeakPolarHBondContact O-CB 3.1Å; M154-Y158 PolarHBondContact O-N 3.46Å; I155-Y158 PolarHBondContact O-N 3.12Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; Y158-S192 WeakPolarHBondContact O-CB 3.46Å
159K97.7Very high98.4Very high86 Ų8631.4 Ų31.437%0.37415%0.149SC..Hα-helixtrans-78.9-13.8179.2-71.2-66.8-147.1176.30114F125 I155 C157 H161F125-K159 HydrophobicContact CD2-CG 4.36Å; F125-K159 VanDerWaalsContact CE1-NZ 3.27Å; F125-K159 HydrophobicContact CE2-CD 4.45Å; F125-K159 WeakPolarHBondContact O-CE 3.25Å; I155-K159 WeakPolarHBondContact O-CB 3.47Å; I155-K159 WeakPolarHBondContact O-CG 3.46Å; I155-K159 PolarHBondContact O-N 3.34Å; C157-K159 VanDerWaalsContact C-N 3.31Å; C157-K159 PolarHBondContact O-N 3.46Å; K159-H161 VanDerWaalsContact CB-CD2 3.47Å; K159-H161 WeakPolarHBondContact CB-CD2 3.39Å
160G97.7Very high98.5Very high32 Ų3236.5 Ų36.533%0.3317%0.172SC..THydrogen-bonded Turntrans82.616.4179.900000115S156 C157 Y158 K162S156-G160 PolarHBondContact O-N 3.4Å; C157-G160 PolarHBondContact O-N 3.24Å; Y158-G160 VanDerWaalsContact C-N 3.32Å; G160-K162 PolarHBondContact O-N 3.43Å
161H98.4Very high98.5Very high50 Ų5039.6 Ų39.623%0.23119%0.185CC..  trans-79.280.7-179.4-61.9-48000111.3C124 F125 G127 S156 K159 E163 I164 A165C124-H161 PolarHBondContact O-CD2 2.93Å; F125-H161 PolarHBondContact O-NE2 2.89Å; G127-H161 WeakPolarHBondContact CA-NE2 3.35Å; G127-H161 PolarHBondContact N-NE2 3.44Å; S156-H161 PolarHBondContact O-N 3.28Å; K159-H161 VanDerWaalsContact CB-CD2 3.47Å; K159-H161 WeakPolarHBondContact CB-CD2 3.39Å; H161-E163 PolarHBondContact O-N 2.93Å; H161-I164 HydrophobicContact CB-CB 4.08Å; H161-I164 HydrophobicContact CB-CD1 4.03Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.46Å; H161-A165 PolarHBondContact O-N 3.19Å
162K98.4Very high98.5Very high72 Ų7242.3 Ų42.331%0.31321%0.214SC..Hα-helixtrans-56.3-48.6-172.4-180-176.4176.8179.40113.2G160 I164 A165 Q166 D196 I197 M200G160-K162 PolarHBondContact O-N 3.43Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.08Å; K162-A165 PolarHBondContact O-N 3.38Å; K162-Q166 WeakPolarHBondContact O-CB 3.29Å; K162-Q166 PolarHBondContact O-N 3.11Å; K162-D196 HydrophobicContact CD-CB 4.01Å; K162-D196 IonicContact NZ-OD2 3.85Å; K162-D196 PolarHBondContact NZ-OD2 3.02Å; K162-I197 HydrophobicContact CB-CD1 4.16Å; K162-I197 HydrophobicContact CB-CG1 3.93Å; K162-I197 HydrophobicContact CG-CG1 4.13Å; K162-M200 HydrophobicContact CG-CE 3.63Å; K162-M200 WeakPolarHBondContact O-CE 3.2Å
163E98.7Very high98.5Very high119 Ų11942.7 Ų42.756%0.55622%0.217SC*.Hα-helixtrans-64.8-36-176.7-65.875.7-170.300111.5L129 H161 Y167L129-E163 HydrophobicContact CD1-CB 4.46Å; L129-E163 HydrophobicContact CD2-CB 3.93Å; H161-E163 PolarHBondContact O-N 2.93Å; E163-Y167 WeakPolarHBondContact O-CB 3.31Å; E163-Y167 PolarHBondContact O-N 3.3Å
164I98.9Very high98.5Very high4 Ų446.4 Ų46.42%0.02124%0.237CC..Hα-helixtrans-69.6-48.5175.3-64.5179.7000110.1C124 L129 V132 S156 H161 K162 Q166 Y167 L168C124-I164 HydrophobicContact CB-CG2 4.28Å; L129-I164 HydrophobicContact CB-CG1 4.09Å; L129-I164 HydrophobicContact CD1-CG1 3.78Å; V132-I164 HydrophobicContact CG1-CG2 4.23Å; V132-I164 HydrophobicContact CG2-CD1 4.16Å; V132-I164 HydrophobicContact CG2-CG2 4.2Å; S156-I164 VanDerWaalsContact OG-CG2 3.26Å; S156-I164 WeakPolarHBondContact OG-CG2 3.33Å; H161-I164 HydrophobicContact CB-CB 4.08Å; H161-I164 HydrophobicContact CB-CD1 4.03Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.46Å; K162-I164 VanDerWaalsContact C-N 3.29Å; K162-I164 PolarHBondContact O-N 3.08Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 3.42Å; I164-Y167 PolarHBondContact O-N 3.01Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.28Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.17Å
165A98.8Very high98.5Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-57.5-43.317800000111.6L153 H161 K162 L168 L169 M200L153-A165 HydrophobicContact CD1-CB 4.09Å; H161-A165 PolarHBondContact O-N 3.19Å; K162-A165 PolarHBondContact O-N 3.38Å; A165-L168 PolarHBondContact O-N 3.37Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 2.74Å; A165-L169 VanDerWaalsContact O-N 3.1Å; A165-M200 HydrophobicContact CB-SD 4.37Å
166Q98.8Very high98.5Very high78 Ų7847.8 Ų47.836%0.36425%0.245SC..Hα-helixtrans-60.6-50.4175.3-179.1175.4-11.700111.7K162 I164 L168 L169 E170 M200K162-Q166 WeakPolarHBondContact O-CB 3.29Å; K162-Q166 PolarHBondContact O-N 3.11Å; I164-Q166 VanDerWaalsContact C-N 3.28Å; I164-Q166 PolarHBondContact O-N 3.42Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3.23Å; Q166-L169 PolarHBondContact O-N 3.36Å; Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 VanDerWaalsContact CG-OE1 3.31Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.38Å; Q166-E170 PolarHBondContact O-N 2.98Å; Q166-M200 HydrophobicContact CB-CE 3.8Å; Q166-M200 HydrophobicContact CB-SD 3.93Å
167Y98.8Very high98.4Very high21 Ų2151.6 Ų51.68%0.08226%0.26CS..Hα-helixtrans-59.5-41.8179.4176.7-104.4000112.2V132 K133 V136 E163 I164 L169 E170 K171V132-Y167 HydrophobicContact CG1-CD1 3.85Å; V132-Y167 HydrophobicContact CG1-CE1 4.07Å; K133-Y167 HydrophobicContact CB-CE1 4.41Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.22Å; K133-Y167 HydrophobicContact CG-CE1 4.01Å; K133-Y167 HydrophobicContact CG-CE2 3.9Å; K133-Y167 HydrophobicContact CG-CG 4.41Å; V136-Y167 HydrophobicContact CB-CE1 3.99Å; V136-Y167 HydrophobicContact CG1-CE1 4.2Å; V136-Y167 HydrophobicContact CG2-CE1 4Å; E163-Y167 WeakPolarHBondContact O-CB 3.31Å; E163-Y167 PolarHBondContact O-N 3.3Å; I164-Y167 PolarHBondContact O-N 3.01Å; Y167-L169 PolarHBondContact O-N 2.95Å; Y167-E170 PolarHBondContact O-N 2.93Å; Y167-K171 HydrophobicContact CD1-CG 4.4Å; Y167-K171 HydrophobicContact CD2-CG 4.36Å; Y167-K171 HydrophobicContact CE1-CG 3.99Å; Y167-K171 HydrophobicContact CE2-CD 4.29Å; Y167-K171 HydrophobicContact CE2-CG 3.94Å; Y167-K171 VanDerWaalsContact CZ-CE 3.49Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.43Å; Y167-K171 PolarHBondContact O-N 2.95Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.19Å
168L98.8Very high98.4Very high0 Ų055.6 Ų55.60%028%0.277CS..Hα-helixtrans-62.5-41.5177.5-68.6172.2000111.9V132 L142 C152 L153 I164 A165 Q166 K171 G172 A173V132-L168 HydrophobicContact CG1-CD2 4.4Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; C152-L168 HydrophobicContact CB-CD1 3.82Å; C152-L168 HydrophobicContact CB-CD2 4.27Å; L153-L168 HydrophobicContact CB-CD1 4.47Å; L153-L168 HydrophobicContact CD1-CB 4.48Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.28Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.17Å; A165-L168 PolarHBondContact O-N 3.37Å; Q166-L168 VanDerWaalsContact C-N 3.31Å; Q166-L168 PolarHBondContact O-N 3.23Å; L168-K171 CarbonylContact O-C 3.6Å; L168-K171 PolarHBondContact O-N 3.42Å; L168-G172 PolarHBondContact O-N 3.18Å; L168-A173 HydrophobicContact CB-CB 4.06Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.42Å; L168-A173 PolarHBondContact O-N 2.86Å
169L98.8Very high98.4Very high10 Ų1050.4 Ų50.45%0.05226%0.258CS..Hα-helixtrans-64.6-42.4175.1-70.3164.8000111.8L153 A165 Q166 Y167 K171 G172 V175 M200 L201 Y204L153-L169 HydrophobicContact CD1-CD1 4.37Å; L153-L169 HydrophobicContact CD1-CD2 4.23Å; L153-L169 HydrophobicContact CD1-CG 3.96Å; L153-L169 HydrophobicContact CD2-CD2 3.71Å; L153-L169 HydrophobicContact CD2-CG 4.35Å; A165-L169 WeakPolarHBondContact O-CG 3.44Å; A165-L169 PolarHBondContact O-N 2.74Å; A165-L169 VanDerWaalsContact O-N 3.1Å; Q166-L169 PolarHBondContact O-N 3.36Å; Y167-L169 PolarHBondContact O-N 2.95Å; L169-K171 PolarHBondContact O-N 3.34Å; L169-G172 PolarHBondContact O-N 3.12Å; L169-V175 HydrophobicContact CD2-CB 3.95Å; L169-V175 HydrophobicContact CD2-CG2 3.97Å; L169-M200 HydrophobicContact CD1-CG 4.02Å; L169-M200 HydrophobicContact CD1-SD 3.5Å; L169-M200 VanDerWaalsContact CD1-SD 3.5Å; L169-L201 HydrophobicContact CD1-CD2 4.12Å; L169-Y204 HydrophobicContact CB-CD1 3.95Å; L169-Y204 HydrophobicContact CB-CD2 4.22Å; L169-Y204 HydrophobicContact CB-CE1 3.86Å; L169-Y204 HydrophobicContact CB-CE2 4.13Å; L169-Y204 HydrophobicContact CB-CG 4.12Å; L169-Y204 HydrophobicContact CD1-CD2 3.7Å; L169-Y204 HydrophobicContact CD1-CE2 4.11Å; L169-Y204 HydrophobicContact CD1-CG 3.99Å; L169-Y204 HydrophobicContact CD2-CD1 4.38Å; L169-Y204 HydrophobicContact CD2-CG 4.17Å; L169-Y204 HydrophobicContact CG-CD2 4.43Å; L169-Y204 HydrophobicContact CG-CG 4.33Å
170E98.6Very high98.4Very high108 Ų10851.8 Ų51.851%0.50527%0.273SS..Hα-helixtrans-61.8-27.6174.5-71.3170.8-175.100112.3Q166 Y167 G172 Y204Q166-E170 HydrophobicContact CG-CG 4.47Å; Q166-E170 VanDerWaalsContact CG-OE1 3.31Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.3Å; Q166-E170 PolarHBondContact NE2-OE1 3.35Å; Q166-E170 WeakPolarHBondContact O-CG 3.38Å; Q166-E170 PolarHBondContact O-N 2.98Å; Y167-E170 PolarHBondContact O-N 2.93Å; E170-G172 VanDerWaalsContact C-N 3.34Å; E170-Y204 WeakPolarHBondContact CG-OH 3.35Å
171K98.5Very high98.3Very high112 Ų11255.7 Ų55.749%0.48728%0.281SS..THydrogen-bonded Turntrans-90.46.1174.6-62.6-63.9177-176.70114V136 L142 Y167 L168 L169V136-K171 HydrophobicContact CG1-CB 4.37Å; V136-K171 HydrophobicContact CG1-CD 4.35Å; V136-K171 HydrophobicContact CG1-CG 4.06Å; L142-K171 HydrophobicContact CD1-CB 3.84Å; Y167-K171 HydrophobicContact CD1-CG 4.4Å; Y167-K171 HydrophobicContact CD2-CG 4.36Å; Y167-K171 HydrophobicContact CE1-CG 3.99Å; Y167-K171 HydrophobicContact CE2-CD 4.29Å; Y167-K171 HydrophobicContact CE2-CG 3.94Å; Y167-K171 VanDerWaalsContact CZ-CE 3.49Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.43Å; Y167-K171 PolarHBondContact O-N 2.95Å; Y167-K171 VanDerWaalsContact OH-CE 3.31Å; Y167-K171 WeakPolarHBondContact OH-CE 3.19Å; L168-K171 CarbonylContact O-C 3.6Å; L168-K171 PolarHBondContact O-N 3.42Å; L169-K171 PolarHBondContact O-N 3.34Å
172G97.9Very high98.2Very high60 Ų6053.9 Ų53.962%0.61928%0.276SS*.THydrogen-bonded Turntrans8922.6170.700000115.3L168 L169 E170L168-G172 PolarHBondContact O-N 3.18Å; L169-G172 PolarHBondContact O-N 3.12Å; E170-G172 VanDerWaalsContact C-N 3.34Å
173A98.6Very high98.2Very high9 Ų951.5 Ų51.57%0.07427%0.266CS..  trans-58.2136.8171.300000111.4L142 E143 L153 L168 V175L142-A173 HydrophobicContact CD1-CB 4.25Å; E143-A173 VanDerWaalsContact OE1-CA 3.31Å; E143-A173 WeakPolarHBondContact OE1-CA 3.2Å; L153-A173 HydrophobicContact CB-CB 4.24Å; L153-A173 HydrophobicContact CD2-CB 4.25Å; L168-A173 HydrophobicContact CB-CB 4.06Å; L168-A173 VanDerWaalsContact O-CB 3.25Å; L168-A173 WeakPolarHBondContact O-CB 3.42Å; L168-A173 PolarHBondContact O-N 2.86Å; A173-V175 PolarHBondContact O-N 2.85Å
174D98.5Very high98.2Very high78 Ų7845.8 Ų45.842%0.41724%0.24SC..  trans-72104.9179.9-1781.9000110.7E143 N176 R177E143-D174 PolarHBondContact OE1-N 3.04Å; D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 PolarHBondContact OD1-N 2.85Å; D174-R177 HydrophobicContact CB-CB 4.26Å; D174-R177 HydrophobicContact CB-CG 4.39Å; D174-R177 PolarHBondContact O-N 3.5Å; D174-R177 PolarHBondContact OD1-N 2.94Å
175V98.6Very high98.2Very high13 Ų1345.7 Ų45.78%0.07924%0.24CC..THydrogen-bonded Turntrans-59.5-25.4179.275.40000113.5L153 L169 A173 L201 Y204 A206L153-V175 HydrophobicContact CD2-CB 4.5Å; L169-V175 HydrophobicContact CD2-CB 3.95Å; L169-V175 HydrophobicContact CD2-CG2 3.97Å; A173-V175 PolarHBondContact O-N 2.85Å; V175-L201 HydrophobicContact CG2-CB 4.45Å; V175-L201 HydrophobicContact CG2-CD2 3.79Å; V175-Y204 WeakPolarHBondContact CG1-O 3.26Å; V175-A206 HydrophobicContact CG2-CB 3.69Å
176N98.4Very high98.2Very high33 Ų3345.7 Ų45.718%0.17624%0.24CC..THydrogen-bonded Turntrans-108.310.7-174.7-68.5-55.5000112.8D174 C205 A206 K207D174-N176 PolarHBondContact O-N 2.98Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-N176 PolarHBondContact OD1-N 2.85Å; N176-C205 PolarHBondContact ND2-O 3.18Å; N176-C205 VanDerWaalsContact ND2-O 3.12Å; N176-A206 WeakPolarHBondContact OD1-CA 3.45Å; N176-K207 PolarHBondContact OD1-N 3.33Å
177R98Very high98.2Very high80 Ų8042 Ų4230%0.30222%0.222SC..  trans-54.5145.6172-129.9-53.3-75.9-149.9-7.8109.9S145 G149 T151 M154 D174 T184S145-R177 PolarHBondContact OG-NH2 2.95Å; G149-R177 PolarHBondContact O-NH2 3.21Å; T151-R177 HydrophobicContact CG2-CB 4.27Å; T151-R177 HydrophobicContact CG2-CG 4.12Å; M154-R177 HydrophobicContact CE-CB 3.93Å; M154-R177 WeakPolarHBondContact CE-O 3.41Å; D174-R177 HydrophobicContact CB-CB 4.26Å; D174-R177 HydrophobicContact CB-CG 4.39Å; D174-R177 PolarHBondContact O-N 3.5Å; D174-R177 PolarHBondContact OD1-N 2.94Å; R177-T184 WeakPolarHBondContact O-CA 3.21Å
178K98.3Very high98.1Very high84 Ų8441.4 Ų41.437%0.36522%0.221SC..  trans-113.8134.7178.5-69.9-174.1178.5-178.40112.4N183 T184 E209K178-N183 CarbonylContact C-O 3.59Å; K178-N183 WeakPolarHBondContact CA-O 3.47Å; K178-T184 HydrophobicContact CG-CG2 4.01Å; K178-E209 WeakPolarHBondContact CE-OE2 3.4Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3.43Å
179S98Very high98.1Very high9 Ų941.4 Ų41.46%0.06322%0.221CC..  trans-65175166.874.10000111.7H148 K181 G182 N183H148-S179 WeakPolarHBondContact O-CB 3.24Å; S179-K181 PolarHBondContact O-N 2.99Å; S179-K181 VanDerWaalsContact O-N 3.16Å; S179-K181 PolarHBondContact OG-N 3.43Å; S179-G182 PolarHBondContact O-N 3.03Å; S179-G182 PolarHBondContact OG-N 2.89Å; S179-N183 PolarHBondContact N-O 2.74Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.39Å; S179-N183 PolarHBondContact OG-O 3.14Å
180V96.7Very high98.1Very high115 Ų11540.9 Ų40.970%0.69722%0.218SC*.THydrogen-bonded Turntrans-57.3-29.7173.6172.40000111.6H148H148-V180 VanDerWaalsContact C-CG2 3.5Å; H148-V180 WeakPolarHBondContact O-CB 3.15Å; H148-V180 WeakPolarHBondContact O-CG2 3.46Å; H148-V180 PolarHBondContact O-N 2.91Å
181K95.2Very high98Very high115 Ų11539 Ų3950%0.521%0.209SC..THydrogen-bonded Turntrans-93.58.7177.2-66.5-172.2173.8-166.30113.5S179 N183 G212 Y213S179-K181 PolarHBondContact O-N 2.99Å; S179-K181 VanDerWaalsContact O-N 3.16Å; S179-K181 PolarHBondContact OG-N 3.43Å; K181-N183 VanDerWaalsContact C-N 3.3Å; K181-N183 PolarHBondContact O-N 3.02Å; K181-G212 WeakPolarHBondContact O-CA 3.01Å; K181-G212 PolarHBondContact O-N 3.15Å; K181-Y213 HydrophobicContact CD-CE2 4.11Å; K181-Y213 PolarHBondContact NZ-OH 3.4Å
182G97.6Very high97.9Very high12 Ų1235.3 Ų35.312%0.12420%0.198CC..SBendtrans82.9-6.2179.900000115.6S179S179-G182 PolarHBondContact O-N 3.03Å; S179-G182 PolarHBondContact OG-N 2.89Å
183N97.9Very high97.9Very high21 Ų2133 Ų3311%0.11217%0.174CC..  trans-60.2139.5175.1-64.6-14.6000111.4K178 S179 K181 H187 D211K178-N183 CarbonylContact C-O 3.59Å; K178-N183 WeakPolarHBondContact CA-O 3.47Å; S179-N183 PolarHBondContact N-O 2.74Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.39Å; S179-N183 PolarHBondContact OG-O 3.14Å; K181-N183 VanDerWaalsContact C-N 3.3Å; K181-N183 PolarHBondContact O-N 3.02Å; N183-H187 HydrophobicContact CB-CB 4.13Å; N183-D211 VanDerWaalsContact OD1-CB 3.31Å; N183-D211 WeakPolarHBondContact OD1-CB 3.33Å; N183-D211 PolarHBondContact OD1-OD2 2.77Å
184T98.5Very high97.8Very high0 Ų034 Ų340%018%0.181CC..  trans-108.8169.3172.263.60000110R177 K178 L186 H187 D188R177-T184 WeakPolarHBondContact O-CA 3.21Å; K178-T184 HydrophobicContact CG-CG2 4.01Å; T184-L186 PolarHBondContact O-N 2.83Å; T184-L186 PolarHBondContact OG1-N 3.34Å; T184-H187 PolarHBondContact N-ND1 3.1Å; T184-H187 VanDerWaalsContact N-ND1 3.19Å; T184-H187 WeakPolarHBondContact O-CB 3.26Å; T184-H187 PolarHBondContact O-N 3.49Å; T184-H187 PolarHBondContact OG1-ND1 3.13Å; T184-D188 PolarHBondContact O-N 3.03Å
185A98.6Very high97.8Very high2 Ų232.2 Ų32.22%0.01717%0.171CC..Hα-helixtrans-54.9-26172.900000113L153 M154 C189 L201L153-A185 HydrophobicContact CD2-CB 4.02Å; L153-A185 HydrophobicContact CG-CB 3.89Å; M154-A185 HydrophobicContact CG-CB 4.29Å; A185-C189 VanDerWaalsContact O-CB 3.24Å; A185-C189 WeakPolarHBondContact O-CB 3.28Å; A185-C189 PolarHBondContact O-N 3.48Å; A185-L201 HydrophobicContact CB-CD1 4.35Å; A185-L201 HydrophobicContact CB-CD2 4.14Å; A185-L201 WeakPolarHBondContact O-CD1 3.42Å
186L98.4Very high97.8Very high0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-70.3-36.6175.5-157.963000112.5T184 A190 M198 L201 L202 A206 M208 P217T184-L186 PolarHBondContact O-N 2.83Å; T184-L186 PolarHBondContact OG1-N 3.34Å; L186-A190 VanDerWaalsContact O-CB 3.31Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.23Å; L186-M198 HydrophobicContact CD1-CE 3.9Å; L186-M198 HydrophobicContact CD1-SD 3.3Å; L186-M198 WeakPolarHBondContact CD1-SD 3.36Å; L186-M198 HydrophobicContact CG-CE 4.24Å; L186-M198 HydrophobicContact CG-SD 4.02Å; L186-L201 HydrophobicContact CD1-CB 3.81Å; L186-L201 HydrophobicContact CD1-CD1 3.95Å; L186-L202 HydrophobicContact CD1-CD2 4.38Å; L186-L202 HydrophobicContact CD1-CG 4.29Å; L186-L202 HydrophobicContact CD2-CD2 4.08Å; L186-A206 HydrophobicContact CB-CB 4.39Å; L186-A206 HydrophobicContact CD1-CB 3.99Å; L186-A206 HydrophobicContact CD2-CB 3.97Å; L186-A206 HydrophobicContact CG-CB 4.37Å; L186-M208 HydrophobicContact CD2-CE 3.83Å; L186-M208 HydrophobicContact CD2-CG 4.38Å; L186-M208 HydrophobicContact CD2-SD 3.69Å; L186-P217 HydrophobicContact CB-CB 4.38Å; L186-P217 HydrophobicContact CB-CG 3.96Å; L186-P217 HydrophobicContact CD2-CB 4.33Å; L186-P217 HydrophobicContact CD2-CG 3.91Å; L186-P217 HydrophobicContact CG-CB 3.96Å; L186-P217 HydrophobicContact CG-CG 3.86Å
187H98.6Very high97.8Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-65.8-49172.7-67.982.3000110.6N183 T184 C189 A190 E191 E209 M215 P217N183-H187 HydrophobicContact CB-CB 4.13Å; T184-H187 PolarHBondContact N-ND1 3.1Å; T184-H187 VanDerWaalsContact N-ND1 3.19Å; T184-H187 WeakPolarHBondContact O-CB 3.26Å; T184-H187 PolarHBondContact O-N 3.49Å; T184-H187 PolarHBondContact OG1-ND1 3.13Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.4Å; H187-A190 CarbonylContact O-C 3.59Å; H187-A190 WeakPolarHBondContact O-CA 3.41Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.48Å; H187-E191 PolarHBondContact O-N 3.38Å; H187-E209 PolarHBondContact CE1-O 3.08Å; H187-E209 PolarHBondContact NE2-O 3.5Å; H187-M215 PolarHBondContact NE2-O 3.39Å; H187-P217 WeakPolarHBondContact NE2-CD 3.49Å
188D98Very high97.9Very high8 Ų830.3 Ų30.34%0.04317%0.166CC..Hα-helixtrans-60.3-41.9179.2-66.1-28000111.6M154 C157 T184 E191 S192M154-D188 WeakPolarHBondContact CA-OD2 3.43Å; M154-D188 WeakPolarHBondContact CB-OD2 3.31Å; M154-D188 VanDerWaalsContact CG-OD2 3.32Å; M154-D188 WeakPolarHBondContact CG-OD2 3.49Å; C157-D188 HydrophobicContact CB-CB 4.43Å; T184-D188 PolarHBondContact O-N 3.03Å; D188-E191 PolarHBondContact O-N 3.25Å; D188-S192 PolarHBondContact O-N 3.14Å
189C98.4Very high97.9Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-62-43.3172.4-178.40000111.9C157 A185 H187 E191 S192 G193 S194 I197 M198 L201C157-C189 HydrophobicContact CB-CB 4.18Å; A185-C189 VanDerWaalsContact O-CB 3.24Å; A185-C189 WeakPolarHBondContact O-CB 3.28Å; A185-C189 PolarHBondContact O-N 3.48Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.4Å; C189-E191 PolarHBondContact O-N 3.13Å; C189-S192 PolarHBondContact O-N 2.82Å; C189-S192 PolarHBondContact O-OG 2.86Å; C189-G193 PolarHBondContact O-N 2.9Å; C189-G193 VanDerWaalsContact O-N 3.11Å; C189-S194 PolarHBondContact SG-O 3.49Å; C189-I197 HydrophobicContact CB-CG2 4.16Å; C189-I197 VanDerWaalsContact SG-CG2 3.6Å; C189-M198 HydrophobicContact CB-CE 4.28Å; C189-M198 VanDerWaalsContact SG-CA 3.56Å; C189-M198 PolarHBondContact SG-N 3.2Å; C189-L201 HydrophobicContact CB-CD1 3.63Å
190A98.5Very high97.9Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-61.3-34.4177.600000112.3L186 H187 M198 P217 A221 H226L186-A190 VanDerWaalsContact O-CB 3.31Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.23Å; H187-A190 CarbonylContact O-C 3.59Å; H187-A190 WeakPolarHBondContact O-CA 3.41Å; H187-A190 WeakPolarHBondContact O-CB 3.41Å; H187-A190 PolarHBondContact O-N 3.48Å; A190-M198 HydrophobicContact CB-CE 3.83Å; A190-P217 HydrophobicContact CB-CB 4.06Å; A190-P217 WeakPolarHBondContact CB-O 3.26Å; A190-A221 HydrophobicContact CB-CB 4.11Å; A190-H226 PolarHBondContact O-CD2 2.87Å
191E96.6Very high98Very high67 Ų6725.8 Ų25.831%0.31314%0.136SC..Hα-helixtrans-76.7-29.2174.8-67.8-176.8-163.100113.6H187 D188 C189 T224 H226H187-E191 PolarHBondContact O-N 3.38Å; D188-E191 PolarHBondContact O-N 3.25Å; C189-E191 PolarHBondContact O-N 3.13Å; E191-T224 HydrophobicContact CB-CG2 4.09Å; E191-T224 HydrophobicContact CG-CG2 3.95Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 PolarHBondContact O-NE2 3.49Å
192S96.6Very high98.2Very high36 Ų3621.3 Ų21.325%0.25212%0.118SC..Hα-helixtrans-72-33.5175.978.90000113.1C157 Y158 D188 C189 S194 H226C157-S192 WeakPolarHBondContact O-CB 3.38Å; C157-S192 PolarHBondContact O-OG 3.46Å; Y158-S192 WeakPolarHBondContact O-CB 3.46Å; D188-S192 PolarHBondContact O-N 3.14Å; C189-S192 PolarHBondContact O-N 2.82Å; C189-S192 PolarHBondContact O-OG 2.86Å; S192-S194 PolarHBondContact OG-N 3.32Å; S192-H226 PolarHBondContact O-CE1 2.81Å
193G97.4Very high98.2Very high12 Ų1227.3 Ų27.312%0.12414%0.144CC..THydrogen-bonded Turntrans88.95-176.300000115.6C189 L195 H226 N228C189-G193 PolarHBondContact O-N 2.9Å; C189-G193 VanDerWaalsContact O-N 3.11Å; G193-L195 PolarHBondContact O-N 3.19Å; G193-L195 VanDerWaalsContact O-N 3.16Å; G193-H226 VanDerWaalsContact CA-CG 3.41Å; G193-H226 WeakPolarHBondContact CA-ND1 3.45Å; G193-H226 PolarHBondContact N-CD2 2.98Å; G193-H226 PolarHBondContact N-NE2 3.01Å; G193-N228 PolarHBondContact O-ND2 3.01Å
194S98.1Very high98.2Very high30 Ų3030 Ų3021%0.2115%0.153CC..  trans-76.699.5179.2-1740000112.6C189 S192 D196 I197 M198C189-S194 PolarHBondContact SG-O 3.49Å; S192-S194 PolarHBondContact OG-N 3.32Å; S194-D196 VanDerWaalsContact C-N 3.26Å; S194-D196 PolarHBondContact O-N 3.47Å; S194-I197 PolarHBondContact O-N 3.42Å; S194-I197 WeakPolarHBondContact OG-CG1 3.25Å; S194-I197 PolarHBondContact OG-N 3.13Å; S194-M198 WeakPolarHBondContact O-CB 3.41Å; S194-M198 PolarHBondContact O-N 2.66Å
195L98.4Very high98.2Very high40 Ų4034.4 Ų34.421%0.20918%0.183CC..Hα-helixtrans-64-31.2176.7179.861.1000112.7G193 M198 K199 F232G193-L195 PolarHBondContact O-N 3.19Å; G193-L195 VanDerWaalsContact O-N 3.16Å; L195-M198 WeakPolarHBondContact O-CB 3.23Å; L195-M198 PolarHBondContact O-N 3.08Å; L195-K199 HydrophobicContact CD1-CG 4.44Å; L195-K199 HydrophobicContact CG-CD 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.19Å; L195-K199 PolarHBondContact O-N 2.94Å; L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.68Å; L195-F232 HydrophobicContact CD1-CD2 4.32Å; L195-F232 HydrophobicContact CD1-CE1 4.44Å; L195-F232 HydrophobicContact CD1-CG 3.61Å
196D98.3Very high98.2Very high85 Ų8534.3 Ų34.346%0.45518%0.182SC..Hα-helixtrans-66.7-46.1177.8-81.71.4000111.9K162 S194 M198 K199 M200K162-D196 HydrophobicContact CD-CB 4.01Å; K162-D196 IonicContact NZ-OD2 3.85Å; K162-D196 PolarHBondContact NZ-OD2 3.02Å; S194-D196 VanDerWaalsContact C-N 3.26Å; S194-D196 PolarHBondContact O-N 3.47Å; D196-M198 VanDerWaalsContact C-N 3.32Å; D196-K199 PolarHBondContact O-N 3.26Å; D196-M200 WeakPolarHBondContact O-CB 3.49Å; D196-M200 PolarHBondContact O-N 3.47Å
197I98.6Very high98.1Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-66.2-39175.7-63.7173.9000109.8C157 K162 C189 S194 K199 M200 L201C157-I197 HydrophobicContact CB-CG2 4.19Å; C157-I197 VanDerWaalsContact SG-CG2 3.59Å; K162-I197 HydrophobicContact CB-CD1 4.16Å; K162-I197 HydrophobicContact CB-CG1 3.93Å; K162-I197 HydrophobicContact CG-CG1 4.13Å; C189-I197 HydrophobicContact CB-CG2 4.16Å; C189-I197 VanDerWaalsContact SG-CG2 3.6Å; S194-I197 PolarHBondContact O-N 3.42Å; S194-I197 WeakPolarHBondContact OG-CG1 3.25Å; S194-I197 PolarHBondContact OG-N 3.13Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 2.9Å; I197-M200 HydrophobicContact CG1-CE 4.37Å; I197-M200 WeakPolarHBondContact O-CB 3.37Å; I197-M200 PolarHBondContact O-N 3.42Å; I197-L201 HydrophobicContact CG2-CD1 3.88Å; I197-L201 HydrophobicContact CG2-CG 4.06Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.85Å
198M98.6Very high98Very high0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-56.8-48.2176.8176.960.161.300111.4L186 C189 A190 S194 L195 D196 L202 M208 I229 F232 L233L186-M198 HydrophobicContact CD1-CE 3.9Å; L186-M198 HydrophobicContact CD1-SD 3.3Å; L186-M198 WeakPolarHBondContact CD1-SD 3.36Å; L186-M198 HydrophobicContact CG-CE 4.24Å; L186-M198 HydrophobicContact CG-SD 4.02Å; C189-M198 HydrophobicContact CB-CE 4.28Å; C189-M198 VanDerWaalsContact SG-CA 3.56Å; C189-M198 PolarHBondContact SG-N 3.2Å; A190-M198 HydrophobicContact CB-CE 3.83Å; S194-M198 WeakPolarHBondContact O-CB 3.41Å; S194-M198 PolarHBondContact O-N 2.66Å; L195-M198 WeakPolarHBondContact O-CB 3.23Å; L195-M198 PolarHBondContact O-N 3.08Å; D196-M198 VanDerWaalsContact C-N 3.32Å; M198-L202 HydrophobicContact CG-CD1 4.29Å; M198-L202 WeakPolarHBondContact O-CD1 3.41Å; M198-L202 VanDerWaalsContact O-CG 3.31Å; M198-L202 WeakPolarHBondContact O-CG 3.34Å; M198-L202 PolarHBondContact O-N 3.47Å; M198-L202 VanDerWaalsContact O-N 3.16Å; M198-L202 HydrophobicContact SD-CD1 4.15Å; M198-M208 HydrophobicContact SD-CE 4.46Å; M198-I229 HydrophobicContact CE-CD1 4.24Å; M198-I229 HydrophobicContact CE-CG2 3.9Å; M198-I229 HydrophobicContact CG-CG2 4.45Å; M198-F232 HydrophobicContact CG-CD1 4.2Å; M198-F232 HydrophobicContact CG-CE1 4.21Å; M198-L233 HydrophobicContact CE-CD1 4.24Å; M198-L233 HydrophobicContact CG-CD2 4.32Å; M198-L233 HydrophobicContact SD-CD1 4.07Å; M198-L233 HydrophobicContact SD-CD2 4.06Å; M198-L233 HydrophobicContact SD-CG 4.41Å
199K98.5Very high97.9Very high99 Ų9942.9 Ų42.943%0.4322%0.221SC..Hα-helixtrans-63.9-42.6176.3-73.2173.4179.2175.90112.2L195 D196 I197 L202 M203 F232L195-K199 HydrophobicContact CD1-CG 4.44Å; L195-K199 HydrophobicContact CG-CD 4.45Å; L195-K199 WeakPolarHBondContact O-CG 3.19Å; L195-K199 PolarHBondContact O-N 2.94Å; D196-K199 PolarHBondContact O-N 3.26Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 2.9Å; K199-L202 PolarHBondContact O-N 3.18Å; K199-M203 WeakPolarHBondContact O-CB 3.18Å; K199-M203 PolarHBondContact O-N 2.98Å; K199-F232 HydrophobicContact CG-CE1 4.11Å; K199-F232 HydrophobicContact CG-CE2 4.2Å; K199-F232 HydrophobicContact CG-CZ 3.79Å
200M98.6Very high97.9Very high14 Ų1449 Ų497%0.06925%0.247CC..Hα-helixtrans-59.3-52.1176.9-179.5-147.2-58.400111K162 A165 Q166 L169 D196 I197 L202 M203 Y204K162-M200 HydrophobicContact CG-CE 3.63Å; K162-M200 WeakPolarHBondContact O-CE 3.2Å; A165-M200 HydrophobicContact CB-SD 4.37Å; Q166-M200 HydrophobicContact CB-CE 3.8Å; Q166-M200 HydrophobicContact CB-SD 3.93Å; L169-M200 HydrophobicContact CD1-CG 4.02Å; L169-M200 HydrophobicContact CD1-SD 3.5Å; L169-M200 VanDerWaalsContact CD1-SD 3.5Å; D196-M200 WeakPolarHBondContact O-CB 3.49Å; D196-M200 PolarHBondContact O-N 3.47Å; I197-M200 HydrophobicContact CG1-CE 4.37Å; I197-M200 WeakPolarHBondContact O-CB 3.37Å; I197-M200 PolarHBondContact O-N 3.42Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.43Å; M200-M203 WeakPolarHBondContact O-CA 3.47Å; M200-M203 VanDerWaalsContact O-CB 3.32Å; M200-M203 WeakPolarHBondContact O-CB 3.29Å; M200-M203 PolarHBondContact O-N 3.34Å; M200-Y204 HydrophobicContact CG-CD2 4.13Å; M200-Y204 HydrophobicContact CG-CE2 4.19Å; M200-Y204 WeakPolarHBondContact O-CD2 3.22Å; M200-Y204 PolarHBondContact O-N 3.42Å
201L98.7Very high97.8Very high0 Ų049.9 Ų49.90%025%0.252CS..Hα-helixtrans-57.5-42.8179.4-69.8171.8000111.8L153 L169 V175 A185 L186 C189 I197 M203 Y204 C205 A206L153-L201 HydrophobicContact CD1-CD2 4.34Å; L153-L201 HydrophobicContact CD2-CD2 4.4Å; L169-L201 HydrophobicContact CD1-CD2 4.12Å; V175-L201 HydrophobicContact CG2-CB 4.45Å; V175-L201 HydrophobicContact CG2-CD2 3.79Å; A185-L201 HydrophobicContact CB-CD1 4.35Å; A185-L201 HydrophobicContact CB-CD2 4.14Å; A185-L201 WeakPolarHBondContact O-CD1 3.42Å; L186-L201 HydrophobicContact CD1-CB 3.81Å; L186-L201 HydrophobicContact CD1-CD1 3.95Å; C189-L201 HydrophobicContact CB-CD1 3.63Å; I197-L201 HydrophobicContact CG2-CD1 3.88Å; I197-L201 HydrophobicContact CG2-CG 4.06Å; I197-L201 WeakPolarHBondContact O-CG 3.48Å; I197-L201 PolarHBondContact O-N 2.85Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.27Å; L201-Y204 CarbonylContact O-C 3.58Å; L201-Y204 WeakPolarHBondContact O-CA 3.27Å; L201-Y204 PolarHBondContact O-N 3.1Å; L201-Y204 VanDerWaalsContact O-N 3.14Å; L201-C205 PolarHBondContact O-N 2.99Å; L201-A206 HydrophobicContact CB-CB 3.89Å; L201-A206 WeakPolarHBondContact O-CB 3.35Å; L201-A206 PolarHBondContact O-N 2.82Å
202L98.4Very high97.7Very high22 Ų2249.8 Ų49.812%0.11527%0.269CS..Hα-helixtrans-65.1-36.6176.6-69.6167.7000112.8L186 M198 K199 M200 Y204 C205 M208 F232 L233L186-L202 HydrophobicContact CD1-CD2 4.38Å; L186-L202 HydrophobicContact CD1-CG 4.29Å; L186-L202 HydrophobicContact CD2-CD2 4.08Å; M198-L202 HydrophobicContact CG-CD1 4.29Å; M198-L202 WeakPolarHBondContact O-CD1 3.41Å; M198-L202 VanDerWaalsContact O-CG 3.31Å; M198-L202 WeakPolarHBondContact O-CG 3.34Å; M198-L202 PolarHBondContact O-N 3.47Å; M198-L202 VanDerWaalsContact O-N 3.16Å; M198-L202 HydrophobicContact SD-CD1 4.15Å; K199-L202 PolarHBondContact O-N 3.18Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 3.43Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 3.43Å; L202-C205 PolarHBondContact O-N 2.98Å; L202-M208 HydrophobicContact CD2-CE 4.23Å; L202-F232 HydrophobicContact CD1-CE1 3.66Å; L202-F232 HydrophobicContact CD1-CZ 4.24Å; L202-L233 HydrophobicContact CD1-CD2 4.02Å
203M98.1Very high97.6Very high138 Ų13852 Ų5268%0.6827%0.272SS*.Hα-helixtrans-62.3-35.5172.4-177.5179.670.700111.6K199 M200 L201 C205K199-M203 WeakPolarHBondContact O-CB 3.18Å; K199-M203 PolarHBondContact O-N 2.98Å; M200-M203 WeakPolarHBondContact O-CA 3.47Å; M200-M203 VanDerWaalsContact O-CB 3.32Å; M200-M203 WeakPolarHBondContact O-CB 3.29Å; M200-M203 PolarHBondContact O-N 3.34Å; L201-M203 VanDerWaalsContact C-N 3.34Å; L201-M203 PolarHBondContact O-N 3.27Å; M203-C205 PolarHBondContact O-N 3.08Å
204Y98.3Very high97.5Very high78 Ų7853 Ų5331%0.30628%0.283SS..THydrogen-bonded Turntrans-8321.1172.2-78.8-89.1000113.5L169 E170 V175 M200 L201 L202 A206L169-Y204 HydrophobicContact CB-CD1 3.95Å; L169-Y204 HydrophobicContact CB-CD2 4.22Å; L169-Y204 HydrophobicContact CB-CE1 3.86Å; L169-Y204 HydrophobicContact CB-CE2 4.13Å; L169-Y204 HydrophobicContact CB-CG 4.12Å; L169-Y204 HydrophobicContact CD1-CD2 3.7Å; L169-Y204 HydrophobicContact CD1-CE2 4.11Å; L169-Y204 HydrophobicContact CD1-CG 3.99Å; L169-Y204 HydrophobicContact CD2-CD1 4.38Å; L169-Y204 HydrophobicContact CD2-CG 4.17Å; L169-Y204 HydrophobicContact CG-CD2 4.43Å; L169-Y204 HydrophobicContact CG-CG 4.33Å; E170-Y204 WeakPolarHBondContact CG-OH 3.35Å; V175-Y204 WeakPolarHBondContact CG1-O 3.26Å; M200-Y204 HydrophobicContact CG-CD2 4.13Å; M200-Y204 HydrophobicContact CG-CE2 4.19Å; M200-Y204 WeakPolarHBondContact O-CD2 3.22Å; M200-Y204 PolarHBondContact O-N 3.42Å; L201-Y204 CarbonylContact O-C 3.58Å; L201-Y204 WeakPolarHBondContact O-CA 3.27Å; L201-Y204 PolarHBondContact O-N 3.1Å; L201-Y204 VanDerWaalsContact O-N 3.14Å; L202-Y204 VanDerWaalsContact C-N 3.26Å; L202-Y204 PolarHBondContact O-N 3.43Å; Y204-A206 PolarHBondContact O-N 3.18Å
205C97.9Very high97.5Very high92 Ų9252 Ų5262%0.62228%0.275SS*.THydrogen-bonded Turntrans6532.3176.1-53.40000115.5N176 L201 L202 M203N176-C205 PolarHBondContact ND2-O 3.18Å; N176-C205 VanDerWaalsContact ND2-O 3.12Å; L201-C205 PolarHBondContact O-N 2.99Å; L202-C205 PolarHBondContact O-N 2.98Å; M203-C205 PolarHBondContact O-N 3.08Å
206A98.5Very high97.4Very high0 Ų050.2 Ų50.20%027%0.266CS..  trans-59.4140165.900000111.4V175 N176 L186 L201 Y204 Q238V175-A206 HydrophobicContact CG2-CB 3.69Å; N176-A206 WeakPolarHBondContact OD1-CA 3.45Å; L186-A206 HydrophobicContact CB-CB 4.39Å; L186-A206 HydrophobicContact CD1-CB 3.99Å; L186-A206 HydrophobicContact CD2-CB 3.97Å; L186-A206 HydrophobicContact CG-CB 4.37Å; L201-A206 HydrophobicContact CB-CB 3.89Å; L201-A206 WeakPolarHBondContact O-CB 3.35Å; L201-A206 PolarHBondContact O-N 2.82Å; Y204-A206 PolarHBondContact O-N 3.18Å; A206-Q238 PolarHBondContact O-NE2 3.13Å; A206-Q238 VanDerWaalsContact O-NE2 3.08Å; A206-Q238 PolarHBondContact O-OE1 3.49Å
207K98.1Very high97.4Very high110 Ų11046.1 Ų46.148%0.47824%0.244SC..  trans-105.2140.2-178.7-64.6177.1-177.3175.10111.9N176 E209N176-K207 PolarHBondContact OD1-N 3.33Å; K207-E209 HydrophobicContact CB-CG 3.67Å; K207-E209 WeakPolarHBondContact CD-OE1 3.49Å; K207-E209 PolarHBondContact O-N 3.12Å
208M96.4Very high97.4Very high25 Ų2546.1 Ų46.112%0.12324%0.244CC..  trans-73.561.4170.8-71.4-64.3177.400112.4L186 M198 L202 P217 L233 Q238 T239L186-M208 HydrophobicContact CD2-CE 3.83Å; L186-M208 HydrophobicContact CD2-CG 4.38Å; L186-M208 HydrophobicContact CD2-SD 3.69Å; M198-M208 HydrophobicContact SD-CE 4.46Å; L202-M208 HydrophobicContact CD2-CE 4.23Å; M208-P217 HydrophobicContact SD-CB 3.75Å; M208-P217 HydrophobicContact SD-CG 3.7Å; M208-L233 HydrophobicContact CE-CD1 3.45Å; M208-L233 VanDerWaalsContact CE-CD1 3.45Å; M208-L233 HydrophobicContact CE-CD2 3.25Å; M208-L233 HydrophobicContact CE-CG 3.91Å; M208-L233 HydrophobicContact SD-CD1 4.44Å; M208-Q238 HydrophobicContact CB-CB 4.18Å; M208-Q238 HydrophobicContact CG-CB 3.81Å; M208-T239 HydrophobicContact CG-CG2 4.42Å
209E95.5Very high97.4Very high53 Ų5347 Ų4725%0.24825%0.248CC..  trans-80.8162179.6-58.7-165.7169.900112.1K178 H187 K207 P217K178-E209 WeakPolarHBondContact CE-OE2 3.4Å; K178-E209 IonicContact NZ-OE2 2.7Å; K178-E209 PolarHBondContact NZ-OE2 3.43Å; H187-E209 PolarHBondContact CE1-O 3.08Å; H187-E209 PolarHBondContact NE2-O 3.5Å; K207-E209 HydrophobicContact CB-CG 3.67Å; K207-E209 WeakPolarHBondContact CD-OE1 3.49Å; K207-E209 PolarHBondContact O-N 3.12Å; E209-P217 WeakPolarHBondContact O-CD 3.36Å
210K97.1Very high97.4Very high128 Ų12842.5 Ų42.556%0.55723%0.229SC*.  trans-89.4138.5171.7-71.3178.6178.1179.80110.8M215 T216K210-M215 CarbonylContact C-O 3.6Å; K210-M215 VanDerWaalsContact CA-O 3.24Å; K210-M215 WeakPolarHBondContact CA-O 3.45Å; K210-T216 HydrophobicContact CG-CG2 3.71Å
211D97Very high97.4Very high19 Ų1941.8 Ų41.810%0.10223%0.226CC..  trans-75.7-174169.683.1-11.1000111.9N183 Y213 G214 M215N183-D211 VanDerWaalsContact OD1-CB 3.31Å; N183-D211 WeakPolarHBondContact OD1-CB 3.33Å; N183-D211 PolarHBondContact OD1-OD2 2.77Å; D211-Y213 PolarHBondContact O-N 3.37Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.32Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 3.17Å; D211-M215 PolarHBondContact N-O 3.5Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.98Å
212G95.1Very high97.4Very high65 Ų6541.8 Ų41.867%0.6723%0.226SC*.THydrogen-bonded Turntrans-68.3-1517900000114.8K181K181-G212 WeakPolarHBondContact O-CA 3.01Å; K181-G212 PolarHBondContact O-N 3.15Å
213Y94.1Very high97.3Very high82 Ų8241.5 Ų41.532%0.32223%0.225SC..THydrogen-bonded Turntrans-96.80.5170.8-61.1-71.4000112.6K181 D211 M215 P335K181-Y213 HydrophobicContact CD-CE2 4.11Å; K181-Y213 PolarHBondContact NZ-OH 3.4Å; D211-Y213 PolarHBondContact O-N 3.37Å; D211-Y213 WeakPolarHBondContact OD1-CA 3.32Å; D211-Y213 PolarHBondContact OD1-N 3.32Å; Y213-M215 VanDerWaalsContact C-N 3.34Å; Y213-P335 HydrophobicContact CE1-CG 4.18Å
214G95.7Very high97.3Very high34 Ų3436 Ų3635%0.35120%0.199SC..SBendtrans82.99.5-176.400000114.1D211D211-G214 PolarHBondContact O-N 3.1Å; D211-G214 PolarHBondContact OD1-N 3.17Å
215M97.1Very high97.2Very high7 Ų732.6 Ų32.63%0.03419%0.188CC..  trans-77.3134.5179-68.4-68.6-80.900110.7H187 K210 D211 Y213 L219 V223 L330H187-M215 PolarHBondContact NE2-O 3.39Å; K210-M215 CarbonylContact C-O 3.6Å; K210-M215 VanDerWaalsContact CA-O 3.24Å; K210-M215 WeakPolarHBondContact CA-O 3.45Å; D211-M215 PolarHBondContact N-O 3.5Å; D211-M215 WeakPolarHBondContact OD1-CB 3.37Å; D211-M215 PolarHBondContact OD1-N 2.98Å; Y213-M215 VanDerWaalsContact C-N 3.34Å; M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 3.76Å; M215-L219 HydrophobicContact SD-CD1 4.09Å; M215-V223 HydrophobicContact CE-CB 4.43Å; M215-V223 HydrophobicContact CE-CG2 3.61Å; M215-L330 HydrophobicContact CE-CD2 3.88Å; M215-L330 HydrophobicContact SD-CD2 3.23Å; M215-L330 WeakPolarHBondContact SD-CD2 3.47Å
216T97.8Very high97.2Very high3 Ų330.4 Ų30.42%0.01817%0.168CC..  trans-93.5161.9165.963.50000109.7K210 L218 L219 S220K210-T216 HydrophobicContact CG-CG2 3.71Å; T216-L218 PolarHBondContact O-N 3.42Å; T216-L218 VanDerWaalsContact O-N 3.12Å; T216-L219 WeakPolarHBondContact O-CA 3.36Å; T216-L219 PolarHBondContact O-N 2.92Å; T216-L219 PolarHBondContact OG1-N 3.11Å; T216-S220 PolarHBondContact O-N 3.26Å; T216-S220 PolarHBondContact O-OG 3Å
217P98.4Very high97.2Very high0 Ų032.6 Ų32.60%018%0.182CC..Hα-helixtrans-55.4-33.6174.6-26.835.2000112.9L186 H187 A190 M208 E209 S220 A221L186-P217 HydrophobicContact CB-CB 4.38Å; L186-P217 HydrophobicContact CB-CG 3.96Å; L186-P217 HydrophobicContact CD2-CB 4.33Å; L186-P217 HydrophobicContact CD2-CG 3.91Å; L186-P217 HydrophobicContact CG-CB 3.96Å; L186-P217 HydrophobicContact CG-CG 3.86Å; H187-P217 WeakPolarHBondContact NE2-CD 3.49Å; A190-P217 HydrophobicContact CB-CB 4.06Å; A190-P217 WeakPolarHBondContact CB-O 3.26Å; M208-P217 HydrophobicContact SD-CB 3.75Å; M208-P217 HydrophobicContact SD-CG 3.7Å; E209-P217 WeakPolarHBondContact O-CD 3.36Å; P217-S220 PolarHBondContact O-N 3.04Å; P217-A221 PolarHBondContact O-N 2.89Å
218L98.6Very high97.2Very high0 Ų030.4 Ų30.40%018%0.175CC..Hα-helixtrans-63.8-41.3174.517363.6000112.2T216 S222 V230 L233 T234 T239 E243 A247T216-L218 PolarHBondContact O-N 3.42Å; T216-L218 VanDerWaalsContact O-N 3.12Å; L218-S222 PolarHBondContact O-N 3.45Å; L218-S222 VanDerWaalsContact O-N 3.14Å; L218-S222 PolarHBondContact O-OG 3.47Å; L218-V230 HydrophobicContact CD1-CB 4.45Å; L218-V230 HydrophobicContact CD1-CG1 4.2Å; L218-V230 HydrophobicContact CD1-CG2 4.43Å; L218-L233 HydrophobicContact CB-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.38Å; L218-T234 HydrophobicContact CD1-CG2 4.45Å; L218-T239 HydrophobicContact CD2-CG2 3.99Å; L218-E243 HydrophobicContact CD2-CB 4.44Å; L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.61Å; L218-A247 HydrophobicContact CG-CB 3.44Å; L218-A247 VanDerWaalsContact CG-CB 3.44Å
219L98.2Very high97.3Very high17 Ų1729.2 Ų29.29%0.08917%0.17CC..Hα-helixtrans-69.1-39174.5-65.5179.2000111.2M215 T216 A221 S222 V223 N246 A247 L250 I329M215-L219 HydrophobicContact CE-CB 3.57Å; M215-L219 HydrophobicContact SD-CB 3.76Å; M215-L219 HydrophobicContact SD-CD1 4.09Å; T216-L219 WeakPolarHBondContact O-CA 3.36Å; T216-L219 PolarHBondContact O-N 2.92Å; T216-L219 PolarHBondContact OG1-N 3.11Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.99Å; L219-S222 WeakPolarHBondContact O-CA 3.49Å; L219-S222 WeakPolarHBondContact O-CB 3.26Å; L219-S222 PolarHBondContact O-N 3.3Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; L219-N246 HydrophobicContact CD2-CB 4.42Å; L219-A247 HydrophobicContact CD2-CB 4.26Å; L219-L250 HydrophobicContact CB-CD2 4.44Å; L219-L250 HydrophobicContact CD2-CD2 4.02Å; L219-I329 HydrophobicContact CD1-CG2 4.35Å; L219-I329 HydrophobicContact CD2-CG2 4.04Å
220S98Very high97.5Very high5 Ų526.7 Ų26.74%0.03516%0.158CC..Hα-helixtrans-58.4-43.6174.4-58.30000112T216 P217 S222 V223 T224T216-S220 PolarHBondContact O-N 3.26Å; T216-S220 PolarHBondContact O-OG 3Å; P217-S220 PolarHBondContact O-N 3.04Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.24Å; S220-V223 PolarHBondContact O-N 3.18Å; S220-T224 WeakPolarHBondContact O-CG2 3.49Å; S220-T224 PolarHBondContact O-N 2.72Å; S220-T224 PolarHBondContact O-OG1 3.44Å
221A98.4Very high97.5Very high0 Ų023.1 Ų23.10%015%0.145CC..Hα-helixtrans-62.2-35.7173.300000112.6A190 P217 L219 T224 G225 H226 I229 V230A190-A221 HydrophobicContact CB-CB 4.11Å; P217-A221 PolarHBondContact O-N 2.89Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 2.99Å; A221-T224 WeakPolarHBondContact CA-OG1 2.85Å; A221-T224 PolarHBondContact O-OG1 3.35Å; A221-G225 PolarHBondContact O-N 3.5Å; A221-H226 PolarHBondContact O-N 3.36Å; A221-I229 HydrophobicContact CB-CB 3.99Å; A221-I229 HydrophobicContact CB-CG2 3.55Å; A221-V230 HydrophobicContact CB-CG2 3.82Å
222S98.5Very high97.6Very high0 Ų025.2 Ų25.20%015%0.153CC..Hα-helixtrans-70.6-41.7179.9-55.70000112.1L218 L219 S220 G225 V230 A247 T254L218-S222 PolarHBondContact O-N 3.45Å; L218-S222 VanDerWaalsContact O-N 3.14Å; L218-S222 PolarHBondContact O-OG 3.47Å; L219-S222 WeakPolarHBondContact O-CA 3.49Å; L219-S222 WeakPolarHBondContact O-CB 3.26Å; L219-S222 PolarHBondContact O-N 3.3Å; S220-S222 VanDerWaalsContact C-N 3.28Å; S220-S222 PolarHBondContact O-N 3.24Å; S222-G225 PolarHBondContact O-N 3.3Å; S222-V230 WeakPolarHBondContact OG-CG2 3.43Å; S222-A247 WeakPolarHBondContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact OG-CA 3.41Å; S222-A247 WeakPolarHBondContact OG-CB 3.17Å; S222-A247 PolarHBondContact OG-O 2.93Å; S222-A247 VanDerWaalsContact OG-O 3.13Å; S222-T254 VanDerWaalsContact O-CB 3.3Å; S222-T254 WeakPolarHBondContact O-CB 3.46Å; S222-T254 PolarHBondContact O-OG1 3.06Å
223V97.5Very high97.7Very high15 Ų1522.1 Ų22.19%0.09112%0.121CC..Hα-helixtrans-65.3-41175166.10000111.8M215 L219 S220 L250 T254 L330 D336M215-V223 HydrophobicContact CE-CB 4.43Å; M215-V223 HydrophobicContact CE-CG2 3.61Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 3.44Å; S220-V223 PolarHBondContact O-N 3.18Å; V223-L250 HydrophobicContact CG2-CD2 3.62Å; V223-L250 HydrophobicContact CG2-CG 4.14Å; V223-T254 WeakPolarHBondContact CA-OG1 3.46Å; V223-T254 WeakPolarHBondContact O-CG2 3.48Å; V223-T254 PolarHBondContact O-OG1 3.07Å; V223-L330 HydrophobicContact CG2-CD1 4.37Å; V223-L330 HydrophobicContact CG2-CD2 4.46Å; V223-D336 WeakPolarHBondContact CG1-OD2 3.43Å
224T96.3Very high97.9Very high23 Ų2318.5 Ų18.514%0.14111%0.107CC..Hα-helixtrans-78.4-23.6-17949.60000112.8E191 S220 A221 H226 K258E191-T224 HydrophobicContact CB-CG2 4.09Å; E191-T224 HydrophobicContact CG-CG2 3.95Å; S220-T224 WeakPolarHBondContact O-CG2 3.49Å; S220-T224 PolarHBondContact O-N 2.72Å; S220-T224 PolarHBondContact O-OG1 3.44Å; A221-T224 WeakPolarHBondContact CA-OG1 2.85Å; A221-T224 PolarHBondContact O-OG1 3.35Å; T224-H226 PolarHBondContact OG1-CD2 3.21Å; T224-K258 PolarHBondContact O-NZ 2.89Å
225G97.4Very high97.9Very high6 Ų624 Ų246%0.06212%0.124CC..THydrogen-bonded Turntrans93.724.817400000114A221 S222 T227A221-G225 PolarHBondContact O-N 3.5Å; S222-G225 PolarHBondContact O-N 3.3Å; G225-T227 PolarHBondContact O-N 3.23Å; G225-T227 VanDerWaalsContact O-N 3.16Å
226H97.9Very high97.9Very high47 Ų4725.8 Ų25.822%0.21813%0.132CC..  trans-85.882.6-177.6-67.8-54.6000111.4A190 E191 S192 G193 A221 T224 N228 I229 V230A190-H226 PolarHBondContact O-CD2 2.87Å; E191-H226 PolarHBondContact O-CD2 3.21Å; E191-H226 PolarHBondContact O-NE2 3.49Å; S192-H226 PolarHBondContact O-CE1 2.81Å; G193-H226 VanDerWaalsContact CA-CG 3.41Å; G193-H226 WeakPolarHBondContact CA-ND1 3.45Å; G193-H226 PolarHBondContact N-CD2 2.98Å; G193-H226 PolarHBondContact N-NE2 3.01Å; A221-H226 PolarHBondContact O-N 3.36Å; T224-H226 PolarHBondContact OG1-CD2 3.21Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.45Å; H226-I229 HydrophobicContact CB-CB 4.4Å; H226-I229 HydrophobicContact CB-CD1 4.47Å; H226-I229 HydrophobicContact CB-CG1 4.5Å; H226-I229 PolarHBondContact O-N 3.2Å; H226-I229 VanDerWaalsContact O-N 3.13Å; H226-V230 PolarHBondContact O-N 3.32Å; H226-V230 VanDerWaalsContact O-N 3.08Å
227T98.1Very high97.8Very high45 Ų4530.2 Ų30.228%0.27617%0.169SC..Hα-helixtrans-56.8-39.8-174.557.80000113.8G225 I229 V230 D231 L251 F255 Y268G225-T227 PolarHBondContact O-N 3.23Å; G225-T227 VanDerWaalsContact O-N 3.16Å; T227-I229 VanDerWaalsContact C-N 3.31Å; T227-I229 PolarHBondContact O-N 3.28Å; T227-V230 PolarHBondContact O-N 2.97Å; T227-D231 WeakPolarHBondContact O-CB 3.35Å; T227-D231 PolarHBondContact O-N 3.35Å; T227-L251 HydrophobicContact CG2-CD1 4.44Å; T227-L251 HydrophobicContact CG2-CD2 4.32Å; T227-F255 HydrophobicContact CG2-CE2 3.62Å; T227-F255 HydrophobicContact CG2-CZ 3.53Å; T227-Y268 HydrophobicContact CG2-CE2 4.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.45Å
228N98.3Very high97.8Very high65 Ų6534.1 Ų34.135%0.34819%0.187SC..Hα-helixtrans-57.5-41.1176.460.4-23.6000112.6G193 H226 F232G193-N228 PolarHBondContact O-ND2 3.01Å; H226-N228 VanDerWaalsContact C-N 3.32Å; H226-N228 PolarHBondContact O-N 3.45Å; N228-F232 WeakPolarHBondContact O-CB 3.21Å; N228-F232 PolarHBondContact O-N 3.44Å
229I98.5Very high97.7Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-73.4-44.9176.7-66-174.7000110.3M198 A221 H226 T227 F232 L233M198-I229 HydrophobicContact CE-CD1 4.24Å; M198-I229 HydrophobicContact CE-CG2 3.9Å; M198-I229 HydrophobicContact CG-CG2 4.45Å; A221-I229 HydrophobicContact CB-CB 3.99Å; A221-I229 HydrophobicContact CB-CG2 3.55Å; H226-I229 HydrophobicContact CB-CB 4.4Å; H226-I229 HydrophobicContact CB-CD1 4.47Å; H226-I229 HydrophobicContact CB-CG1 4.5Å; H226-I229 PolarHBondContact O-N 3.2Å; H226-I229 VanDerWaalsContact O-N 3.13Å; T227-I229 VanDerWaalsContact C-N 3.31Å; T227-I229 PolarHBondContact O-N 3.28Å; I229-F232 PolarHBondContact O-N 3.35Å; I229-L233 HydrophobicContact CG2-CD1 3.6Å; I229-L233 HydrophobicContact CG2-CG 3.99Å; I229-L233 WeakPolarHBondContact O-CB 3.41Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.08Å
230V98.5Very high97.5Very high0 Ų036.1 Ų36.10%020%0.202CC..Hα-helixtrans-61.6-47.91791770000111.2L218 A221 S222 H226 T227 F232 L233 T234 L248 L251L218-V230 HydrophobicContact CD1-CB 4.45Å; L218-V230 HydrophobicContact CD1-CG1 4.2Å; L218-V230 HydrophobicContact CD1-CG2 4.43Å; A221-V230 HydrophobicContact CB-CG2 3.82Å; S222-V230 WeakPolarHBondContact OG-CG2 3.43Å; H226-V230 PolarHBondContact O-N 3.32Å; H226-V230 VanDerWaalsContact O-N 3.08Å; T227-V230 PolarHBondContact O-N 2.97Å; V230-F232 VanDerWaalsContact C-N 3.29Å; V230-F232 PolarHBondContact O-N 3.47Å; V230-L233 PolarHBondContact O-N 3.46Å; V230-T234 HydrophobicContact CG1-CG2 4.06Å; V230-T234 WeakPolarHBondContact O-CB 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.09Å; V230-T234 PolarHBondContact O-N 2.87Å; V230-T234 PolarHBondContact O-OG1 3.13Å; V230-L248 HydrophobicContact CG1-CD2 4.23Å; V230-L251 HydrophobicContact CB-CD2 3.98Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.15Å
231D98Very high97.4Very high53 Ų5338.6 Ų38.628%0.28321%0.212SC..Hα-helixtrans-62-36.5178.1-78.3-33.3000111.4T227 T234 H235 K271T227-D231 WeakPolarHBondContact O-CB 3.35Å; T227-D231 PolarHBondContact O-N 3.35Å; D231-T234 WeakPolarHBondContact CA-OG1 3.46Å; D231-T234 PolarHBondContact O-OG1 3.11Å; D231-H235 PolarHBondContact O-ND1 3.45Å; D231-K271 IonicContact OD1-NZ 3.89Å; D231-K271 PolarHBondContact OD1-NZ 2.9Å
232F98.4Very high97.2Very high63 Ų6341.7 Ų41.728%0.27623%0.231SC..Hα-helixtrans-68.6-51.9174.1172.9-108.8000112.4L195 M198 K199 L202 N228 I229 V230 T234 H235L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.68Å; L195-F232 HydrophobicContact CD1-CD2 4.32Å; L195-F232 HydrophobicContact CD1-CE1 4.44Å; L195-F232 HydrophobicContact CD1-CG 3.61Å; M198-F232 HydrophobicContact CG-CD1 4.2Å; M198-F232 HydrophobicContact CG-CE1 4.21Å; K199-F232 HydrophobicContact CG-CE1 4.11Å; K199-F232 HydrophobicContact CG-CE2 4.2Å; K199-F232 HydrophobicContact CG-CZ 3.79Å; L202-F232 HydrophobicContact CD1-CE1 3.66Å; L202-F232 HydrophobicContact CD1-CZ 4.24Å; N228-F232 WeakPolarHBondContact O-CB 3.21Å; N228-F232 PolarHBondContact O-N 3.44Å; I229-F232 PolarHBondContact O-N 3.35Å; V230-F232 VanDerWaalsContact C-N 3.29Å; V230-F232 PolarHBondContact O-N 3.47Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.91Å; F232-H235 PolarHBondContact O-N 3.34Å; F232-H235 VanDerWaalsContact O-N 3.16Å
233L98.1Very high97.1Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-71.9-22.7-174.7-70-173.4000113.6M198 L202 M208 L218 I229 V230 H235 H236 T239M198-L233 HydrophobicContact CE-CD1 4.24Å; M198-L233 HydrophobicContact CG-CD2 4.32Å; M198-L233 HydrophobicContact SD-CD1 4.07Å; M198-L233 HydrophobicContact SD-CD2 4.06Å; M198-L233 HydrophobicContact SD-CG 4.41Å; L202-L233 HydrophobicContact CD1-CD2 4.02Å; M208-L233 HydrophobicContact CE-CD1 3.45Å; M208-L233 VanDerWaalsContact CE-CD1 3.45Å; M208-L233 HydrophobicContact CE-CD2 3.25Å; M208-L233 HydrophobicContact CE-CG 3.91Å; M208-L233 HydrophobicContact SD-CD1 4.44Å; L218-L233 HydrophobicContact CB-CD1 4.15Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.38Å; I229-L233 HydrophobicContact CG2-CD1 3.6Å; I229-L233 HydrophobicContact CG2-CG 3.99Å; I229-L233 WeakPolarHBondContact O-CB 3.41Å; I229-L233 WeakPolarHBondContact O-CG 3.39Å; I229-L233 PolarHBondContact O-N 3.08Å; V230-L233 PolarHBondContact O-N 3.46Å; L233-H235 PolarHBondContact O-N 2.98Å; L233-H236 HydrophobicContact CD2-CB 4.17Å; L233-H236 WeakPolarHBondContact O-CB 3.35Å; L233-H236 PolarHBondContact O-N 3.1Å; L233-H236 VanDerWaalsContact O-N 3.12Å; L233-T239 WeakPolarHBondContact O-CG2 3.38Å; L233-T239 PolarHBondContact O-OG1 3.15Å
234T97.4Very high97.1Very high5 Ų546 Ų463%0.03125%0.248CC..THydrogen-bonded Turntrans-65.9-14.717246.30000113.8L218 V230 D231 F232 R244 L248L218-T234 HydrophobicContact CD1-CG2 4.45Å; V230-T234 HydrophobicContact CG1-CG2 4.06Å; V230-T234 WeakPolarHBondContact O-CB 3.32Å; V230-T234 WeakPolarHBondContact O-CG2 3.09Å; V230-T234 PolarHBondContact O-N 2.87Å; V230-T234 PolarHBondContact O-OG1 3.13Å; D231-T234 WeakPolarHBondContact CA-OG1 3.46Å; D231-T234 PolarHBondContact O-OG1 3.11Å; F232-T234 VanDerWaalsContact C-N 3.3Å; F232-T234 PolarHBondContact O-N 2.91Å; T234-R244 HydrophobicContact CG2-CB 4.16Å; T234-R244 HydrophobicContact CG2-CG 4.43Å; T234-R244 WeakPolarHBondContact O-CD 3.47Å; T234-R244 PolarHBondContact O-NE 3.08Å; T234-R244 VanDerWaalsContact O-NE 3.17Å; T234-R244 PolarHBondContact O-NH1 3.33Å; T234-L248 HydrophobicContact CG2-CD1 4.41Å; T234-L248 HydrophobicContact CG2-CD2 4.28Å; T234-L248 HydrophobicContact CG2-CG 4.11Å
235H96.2Very high97.2Very high151 Ų15145 Ų4570%0.69924%0.241SC*.THydrogen-bonded Turntrans-108.2-0.1174.4-59.686.7000112.6D231 F232 L233D231-H235 PolarHBondContact O-ND1 3.45Å; F232-H235 PolarHBondContact O-N 3.34Å; F232-H235 VanDerWaalsContact O-N 3.16Å; L233-H235 PolarHBondContact O-N 2.98Å
236H97.1Very high97.2Very high43 Ų4346.3 Ų46.320%0.19925%0.247CC..  trans-82.4142.1-174.6-166.6-96.2000112.6L233 Q238 T239 R244L233-H236 HydrophobicContact CD2-CB 4.17Å; L233-H236 WeakPolarHBondContact O-CB 3.35Å; L233-H236 PolarHBondContact O-N 3.1Å; L233-H236 VanDerWaalsContact O-N 3.12Å; H236-Q238 VanDerWaalsContact C-N 3.29Å; H236-Q238 PolarHBondContact ND1-N 3.04Å; H236-Q238 PolarHBondContact O-N 2.98Å; H236-T239 PolarHBondContact O-N 3.18Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 2.97Å; H236-R244 PolarHBondContact O-NH2 3.17Å
237A96.3Very high97.2Very high96 Ų9644 Ų4479%0.79324%0.237SC*.THydrogen-bonded Turntrans-63.2-29.6-173.500000114.4T239A237-T239 VanDerWaalsContact C-N 3.26Å; A237-T239 PolarHBondContact O-N 3.46Å
238Q97.3Very high97.3Very high82 Ų8242.1 Ų42.138%0.38323%0.225SC..THydrogen-bonded Turntrans-73.5-11.1179.2-66.3-174.416.900114.2A206 M208 H236A206-Q238 PolarHBondContact O-NE2 3.13Å; A206-Q238 VanDerWaalsContact O-NE2 3.08Å; A206-Q238 PolarHBondContact O-OE1 3.49Å; M208-Q238 HydrophobicContact CB-CB 4.18Å; M208-Q238 HydrophobicContact CG-CB 3.81Å; H236-Q238 VanDerWaalsContact C-N 3.29Å; H236-Q238 PolarHBondContact ND1-N 3.04Å; H236-Q238 PolarHBondContact O-N 2.98Å
239T96.9Very high97.3Very high7 Ų739.3 Ų39.34%0.04321%0.209CC..SBendtrans-99.8131.1-178.263.70000110.7M208 L218 L233 H236 A237 R244M208-T239 HydrophobicContact CG-CG2 4.42Å; L218-T239 HydrophobicContact CD2-CG2 3.99Å; L233-T239 WeakPolarHBondContact O-CG2 3.38Å; L233-T239 PolarHBondContact O-OG1 3.15Å; H236-T239 PolarHBondContact O-N 3.18Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 2.97Å; A237-T239 VanDerWaalsContact C-N 3.26Å; A237-T239 PolarHBondContact O-N 3.46Å; T239-R244 VanDerWaalsContact O-CZ 3.26Å; T239-R244 PolarHBondContact O-NE 2.88Å; T239-R244 PolarHBondContact O-NH2 2.95Å; T239-R244 WeakPolarHBondContact OG1-CG 3.21Å; T239-R244 PolarHBondContact OG1-NE 3.46Å
240S95Very high97.3Very high53 Ų5339.3 Ų39.337%0.37121%0.209SC..  trans-77.1157.6176.967.30000112.1T242 E243 R244S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.46Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.26Å; S240-E243 VanDerWaalsContact O-N 3.14Å; S240-E243 WeakPolarHBondContact OG-CB 3.48Å; S240-E243 WeakPolarHBondContact OG-CG 3.49Å; S240-E243 PolarHBondContact OG-N 2.88Å; S240-E243 PolarHBondContact OG-OE2 3.13Å; S240-R244 WeakPolarHBondContact O-CG 3.24Å; S240-R244 PolarHBondContact O-N 2.64Å
241K94.8Very high97.3Very high57 Ų5739.3 Ų39.325%0.24821%0.209CC..Hα-helixtrans-53.3-43.2176.5-171.2180172.5-171.40111.9R244 I245 M275 N282 I284K241-R244 PolarHBondContact O-N 2.76Å; K241-I245 HydrophobicContact CG-CD1 4.06Å; K241-I245 WeakPolarHBondContact O-CD1 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 2.96Å; K241-I245 PolarHBondContact O-N 2.93Å; K241-I245 VanDerWaalsContact O-N 3.1Å; K241-M275 WeakPolarHBondContact CE-O 3.34Å; K241-M275 HydrophobicContact CG-CG 4.48Å; K241-N282 PolarHBondContact NZ-O 2.7Å; K241-I284 HydrophobicContact CB-CD1 4.07Å; K241-I284 HydrophobicContact CD-CD1 3.72Å; K241-I284 HydrophobicContact CG-CD1 3.75Å
242T95.2Very high97.3Very high65 Ų6536.8 Ų36.840%0.39920%0.196SC..Hα-helixtrans-62.7-44.3178.3-52.30000112.5S240 R244 I245 N246S240-T242 VanDerWaalsContact C-N 3.26Å; S240-T242 PolarHBondContact O-N 3.46Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 2.94Å; T242-I245 PolarHBondContact O-N 2.85Å; T242-N246 PolarHBondContact O-N 3.16Å
243E96.3Very high97.3Very high47 Ų4733.8 Ų33.822%0.2218%0.183CC..Hα-helixtrans-64.7-40.2178.4-72.8164.5142.900111.8L218 S240 I245 N246 A247L218-E243 HydrophobicContact CD2-CB 4.44Å; S240-E243 WeakPolarHBondContact CB-OE2 3.29Å; S240-E243 PolarHBondContact N-OE2 3.45Å; S240-E243 PolarHBondContact O-N 3.26Å; S240-E243 VanDerWaalsContact O-N 3.14Å; S240-E243 WeakPolarHBondContact OG-CB 3.48Å; S240-E243 WeakPolarHBondContact OG-CG 3.49Å; S240-E243 PolarHBondContact OG-N 2.88Å; S240-E243 PolarHBondContact OG-OE2 3.13Å; E243-I245 PolarHBondContact O-N 3.03Å; E243-N246 PolarHBondContact O-N 3.44Å; E243-A247 WeakPolarHBondContact O-CB 3.31Å; E243-A247 PolarHBondContact O-N 3.18Å
244R97.7Very high97.3Very high59 Ų5933.8 Ų33.822%0.22318%0.183CC..Hα-helixtrans-61.6-43.5176.8-62.3167.7-176.6-170.211.8111.9T234 H236 T239 S240 K241 T242 A247 L248 M275T234-R244 HydrophobicContact CG2-CB 4.16Å; T234-R244 HydrophobicContact CG2-CG 4.43Å; T234-R244 WeakPolarHBondContact O-CD 3.47Å; T234-R244 PolarHBondContact O-NE 3.08Å; T234-R244 VanDerWaalsContact O-NE 3.17Å; T234-R244 PolarHBondContact O-NH1 3.33Å; H236-R244 PolarHBondContact O-NH2 3.17Å; T239-R244 VanDerWaalsContact O-CZ 3.26Å; T239-R244 PolarHBondContact O-NE 2.88Å; T239-R244 PolarHBondContact O-NH2 2.95Å; T239-R244 WeakPolarHBondContact OG1-CG 3.21Å; T239-R244 PolarHBondContact OG1-NE 3.46Å; S240-R244 WeakPolarHBondContact O-CG 3.24Å; S240-R244 PolarHBondContact O-N 2.64Å; K241-R244 PolarHBondContact O-N 2.76Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 2.94Å; R244-A247 PolarHBondContact O-N 3.02Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 2.89Å; R244-L248 VanDerWaalsContact O-N 3.08Å; R244-M275 HydrophobicContact CB-CE 4.44Å; R244-M275 HydrophobicContact CB-SD 3.68Å
245I97.6Very high97.3Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-62.5-52.3176.1-68.5162.3000110.2K241 T242 E243 A247 L248 E249 A272 M275 R276 I284K241-I245 HydrophobicContact CG-CD1 4.06Å; K241-I245 WeakPolarHBondContact O-CD1 3.49Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 2.96Å; K241-I245 PolarHBondContact O-N 2.93Å; K241-I245 VanDerWaalsContact O-N 3.1Å; T242-I245 PolarHBondContact O-N 2.85Å; E243-I245 PolarHBondContact O-N 3.03Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.29Å; I245-L248 PolarHBondContact O-N 3.13Å; I245-E249 WeakPolarHBondContact O-CG 3.26Å; I245-E249 PolarHBondContact O-N 3.34Å; I245-A272 HydrophobicContact CG2-CB 4.45Å; I245-M275 HydrophobicContact CD1-CG 4.14Å; I245-M275 HydrophobicContact CG1-CB 3.91Å; I245-M275 HydrophobicContact CG1-CG 3.65Å; I245-M275 HydrophobicContact CG1-SD 3.71Å; I245-R276 HydrophobicContact CD1-CG 3.87Å; I245-R276 HydrophobicContact CG1-CG 4.31Å; I245-R276 HydrophobicContact CG2-CG 3.63Å; I245-I284 HydrophobicContact CD1-CB 4.2Å; I245-I284 HydrophobicContact CD1-CD1 3.83Å; I245-I284 HydrophobicContact CD1-CG1 4.48Å
246N97.8Very high97.4Very high34 Ų3427.7 Ų27.718%0.18216%0.155CC..Hα-helixtrans-59.3-40.5179.6-75.1-13.9000111.5L219 T242 E243 L248 E249 L250 R328 I329L219-N246 HydrophobicContact CD2-CB 4.42Å; T242-N246 PolarHBondContact O-N 3.16Å; E243-N246 PolarHBondContact O-N 3.44Å; N246-L248 PolarHBondContact O-N 3.19Å; N246-E249 PolarHBondContact O-N 2.93Å; N246-L250 VanDerWaalsContact O-CB 3.24Å; N246-L250 WeakPolarHBondContact O-CB 3.3Å; N246-L250 PolarHBondContact O-N 2.91Å; N246-R328 PolarHBondContact OD1-NH1 3.42Å; N246-R328 VanDerWaalsContact OD1-NH1 3.13Å; N246-I329 HydrophobicContact CB-CD1 3.88Å; N246-I329 HydrophobicContact CB-CG1 4.15Å; N246-I329 HydrophobicContact CB-CG2 4.11Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.4Å
247A98.5Very high97.3Very high0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-60.7-45.2176.400000112.7L218 L219 S222 E243 R244 I245 L250 L251L218-A247 HydrophobicContact CD1-CB 3.73Å; L218-A247 HydrophobicContact CD2-CB 3.61Å; L218-A247 HydrophobicContact CG-CB 3.44Å; L218-A247 VanDerWaalsContact CG-CB 3.44Å; L219-A247 HydrophobicContact CD2-CB 4.26Å; S222-A247 WeakPolarHBondContact CB-O 3.32Å; S222-A247 WeakPolarHBondContact OG-CA 3.41Å; S222-A247 WeakPolarHBondContact OG-CB 3.17Å; S222-A247 PolarHBondContact OG-O 2.93Å; S222-A247 VanDerWaalsContact OG-O 3.13Å; E243-A247 WeakPolarHBondContact O-CB 3.31Å; E243-A247 PolarHBondContact O-N 3.18Å; R244-A247 PolarHBondContact O-N 3.02Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.29Å; A247-L250 PolarHBondContact O-N 2.7Å; A247-L251 WeakPolarHBondContact O-CB 3.46Å; A247-L251 PolarHBondContact O-N 3.13Å
248L98.6Very high97.2Very high4 Ų426.3 Ų26.32%0.02113%0.13CC..Hα-helixtrans-65.2-39.6176.7-70167.7000112.1V230 T234 R244 I245 N246 G252 Y268 K271 A272 M275V230-L248 HydrophobicContact CG1-CD2 4.23Å; T234-L248 HydrophobicContact CG2-CD1 4.41Å; T234-L248 HydrophobicContact CG2-CD2 4.28Å; T234-L248 HydrophobicContact CG2-CG 4.11Å; R244-L248 WeakPolarHBondContact O-CG 3.28Å; R244-L248 PolarHBondContact O-N 2.89Å; R244-L248 VanDerWaalsContact O-N 3.08Å; I245-L248 PolarHBondContact O-N 3.13Å; N246-L248 PolarHBondContact O-N 3.19Å; L248-G252 PolarHBondContact O-N 2.91Å; L248-Y268 HydrophobicContact CD2-CD1 4.02Å; L248-K271 HydrophobicContact CD1-CB 4.21Å; L248-K271 HydrophobicContact CD2-CD 4.4Å; L248-A272 HydrophobicContact CB-CB 3.77Å; L248-M275 HydrophobicContact CD1-CE 3.83Å; L248-M275 HydrophobicContact CD1-SD 4.38Å
249E98.4Very high97Very high6 Ų627.5 Ų27.53%0.02813%0.134CC..Hα-helixtrans-64.1-47.8175.9-69.7176.1157.300111.9I245 N246 L251 G252 A253 W269 A272 R276 K286 I325 R328 I329I245-E249 WeakPolarHBondContact O-CG 3.26Å; I245-E249 PolarHBondContact O-N 3.34Å; N246-E249 PolarHBondContact O-N 2.93Å; E249-L251 VanDerWaalsContact C-N 3.35Å; E249-G252 PolarHBondContact O-N 2.78Å; E249-A253 PolarHBondContact O-N 3.42Å; E249-W269 PolarHBondContact O-NE1 2.8Å; E249-A272 HydrophobicContact CG-CB 3.56Å; E249-R276 IonicContact OE1-CZ 2.54Å; E249-R276 IonicContact OE1-NE 3.09Å; E249-R276 PolarHBondContact OE1-NE 3.37Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.12Å; E249-R276 IonicContact OE2-CZ 3.15Å; E249-R276 IonicContact OE2-NH2 3.59Å; E249-R276 PolarHBondContact OE2-NH2 3.16Å; E249-K286 VanDerWaalsContact OE1-CE 3.26Å; E249-K286 WeakPolarHBondContact OE1-CE 3.09Å; E249-K286 IonicContact OE1-NZ 3.31Å; E249-I325 HydrophobicContact CB-CG2 3.76Å; E249-R328 IonicContact OE1-NH2 2.74Å; E249-R328 IonicContact OE2-CZ 2.79Å; E249-R328 IonicContact OE2-NH1 3.47Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.74Å; E249-R328 PolarHBondContact OE2-NH2 3.4Å; E249-I329 HydrophobicContact CB-CD1 3.99Å
250L98.5Very high96.8Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-65.9-37.7178.7-173.460.7000111.7L219 V223 N246 A247 G252 A253 T254 R326 I329 L330L219-L250 HydrophobicContact CB-CD2 4.44Å; L219-L250 HydrophobicContact CD2-CD2 4.02Å; V223-L250 HydrophobicContact CG2-CD2 3.62Å; V223-L250 HydrophobicContact CG2-CG 4.14Å; N246-L250 VanDerWaalsContact O-CB 3.24Å; N246-L250 WeakPolarHBondContact O-CB 3.3Å; N246-L250 PolarHBondContact O-N 2.91Å; A247-L250 PolarHBondContact O-N 2.7Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 3.3Å; L250-A253 WeakPolarHBondContact O-CB 3.41Å; L250-A253 PolarHBondContact O-N 3.38Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 2.88Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å; L250-R326 HydrophobicContact CD1-CB 4.23Å; L250-R326 HydrophobicContact CD1-CG 4.14Å; L250-I329 HydrophobicContact CB-CD1 4.09Å; L250-I329 HydrophobicContact CD2-CG2 4.11Å; L250-L330 HydrophobicContact CD1-CD1 4.41Å; L250-L330 HydrophobicContact CD1-CG 4.29Å; L250-L330 HydrophobicContact CD2-CD2 3.73Å; L250-L330 HydrophobicContact CD2-CG 4.33Å
251L98.6Very high96.9Very high0 Ų037 Ų370%017%0.166CC..Hα-helixtrans-61.1-42.6172.218062.4000110.8T227 V230 A247 E249 A253 T254 F255 Y268T227-L251 HydrophobicContact CG2-CD1 4.44Å; T227-L251 HydrophobicContact CG2-CD2 4.32Å; V230-L251 HydrophobicContact CB-CD2 3.98Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD2 4.15Å; A247-L251 WeakPolarHBondContact O-CB 3.46Å; A247-L251 PolarHBondContact O-N 3.13Å; E249-L251 VanDerWaalsContact C-N 3.35Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.26Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 2.79Å; L251-F255 HydrophobicContact CD1-CD2 3.91Å; L251-F255 HydrophobicContact CD1-CE2 3.73Å; L251-F255 HydrophobicContact CG-CD2 4.14Å; L251-F255 HydrophobicContact CG-CE2 4.13Å; L251-F255 VanDerWaalsContact O-CD2 3.3Å; L251-F255 WeakPolarHBondContact O-CD2 3.38Å; L251-F255 PolarHBondContact O-N 2.83Å; L251-Y268 HydrophobicContact CD2-CD1 3.66Å; L251-Y268 HydrophobicContact CD2-CD2 4.07Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 4Å; L251-Y268 HydrophobicContact CD2-CG 3.93Å; L251-Y268 HydrophobicContact CG-CD1 4.43Å; L251-Y268 HydrophobicContact CG-CD2 4.09Å; L251-Y268 HydrophobicContact CG-CE2 4.26Å; L251-Y268 HydrophobicContact CG-CG 4.21Å
252G98.4Very high96.9Very high0 Ų036.5 Ų36.50%017%0.166CC..Hα-helixtrans-59.8-43.6173.100000112.4L248 E249 L250 T254 F255 V256 A265L248-G252 PolarHBondContact O-N 2.91Å; E249-G252 PolarHBondContact O-N 2.78Å; L250-G252 VanDerWaalsContact C-N 3.32Å; L250-G252 PolarHBondContact O-N 3.3Å; G252-T254 VanDerWaalsContact C-N 3.35Å; G252-T254 PolarHBondContact O-N 2.74Å; G252-F255 WeakPolarHBondContact O-CB 3.34Å; G252-F255 PolarHBondContact O-N 2.69Å; G252-F255 VanDerWaalsContact O-N 3.1Å; G252-V256 PolarHBondContact O-N 2.75Å; G252-V256 VanDerWaalsContact O-N 3.08Å; G252-A265 WeakPolarHBondContact O-CB 3.26Å
253A98.4Very high97Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-60.7-41.5173.700000112.5E249 L250 L251 F255 V256 D257 A322 I325E249-A253 PolarHBondContact O-N 3.42Å; L250-A253 WeakPolarHBondContact O-CB 3.41Å; L250-A253 PolarHBondContact O-N 3.38Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 3.26Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.34Å; A253-V256 PolarHBondContact O-N 2.75Å; A253-D257 PolarHBondContact O-N 3.3Å; A253-A322 HydrophobicContact CB-CB 3.78Å; A253-I325 HydrophobicContact CB-CG2 4.29Å
254T98.3Very high97Very high0 Ų037.2 Ų37.20%017%0.17CC..Hα-helixtrans-61.3-37.4172.9-62.70000112.2S222 V223 L250 L251 G252 D257 K258 K259S222-T254 VanDerWaalsContact O-CB 3.3Å; S222-T254 WeakPolarHBondContact O-CB 3.46Å; S222-T254 PolarHBondContact O-OG1 3.06Å; V223-T254 WeakPolarHBondContact CA-OG1 3.46Å; V223-T254 WeakPolarHBondContact O-CG2 3.48Å; V223-T254 PolarHBondContact O-OG1 3.07Å; L250-T254 PolarHBondContact O-N 2.98Å; L250-T254 PolarHBondContact O-OG1 2.88Å; L250-T254 VanDerWaalsContact O-OG1 3.13Å; L251-T254 WeakPolarHBondContact O-CB 3.43Å; L251-T254 PolarHBondContact O-N 2.79Å; G252-T254 VanDerWaalsContact C-N 3.35Å; G252-T254 PolarHBondContact O-N 2.74Å; T254-D257 PolarHBondContact O-N 3.12Å; T254-K258 HydrophobicContact CG2-CB 4.07Å; T254-K258 HydrophobicContact CG2-CD 4.25Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.31Å; T254-K258 WeakPolarHBondContact O-CB 3.5Å; T254-K258 PolarHBondContact O-N 3.36Å; T254-K259 PolarHBondContact O-N 3.18Å
255F98.1Very high97Very high21 Ų2134.4 Ų34.49%0.09216%0.159CC..Iπ-helixtrans-64.6-40.5176.3-95.7-114.2000112.3T227 L251 G252 A253 K259 R260 D261 A265 Y268T227-F255 HydrophobicContact CG2-CE2 3.62Å; T227-F255 HydrophobicContact CG2-CZ 3.53Å; L251-F255 HydrophobicContact CD1-CD2 3.91Å; L251-F255 HydrophobicContact CD1-CE2 3.73Å; L251-F255 HydrophobicContact CG-CD2 4.14Å; L251-F255 HydrophobicContact CG-CE2 4.13Å; L251-F255 VanDerWaalsContact O-CD2 3.3Å; L251-F255 WeakPolarHBondContact O-CD2 3.38Å; L251-F255 PolarHBondContact O-N 2.83Å; G252-F255 WeakPolarHBondContact O-CB 3.34Å; G252-F255 PolarHBondContact O-N 2.69Å; G252-F255 VanDerWaalsContact O-N 3.1Å; A253-F255 VanDerWaalsContact C-N 3.3Å; A253-F255 PolarHBondContact O-N 3.34Å; F255-K259 HydrophobicContact CD1-CB 4.31Å; F255-K259 HydrophobicContact CD1-CG 4.47Å; F255-K259 HydrophobicContact CD2-CG 4.17Å; F255-K259 HydrophobicContact CE2-CG 4.28Å; F255-K259 HydrophobicContact CG-CB 4.33Å; F255-K259 HydrophobicContact CG-CG 4.26Å; F255-K259 HydrophobicContact CZ-CG 4.46Å; F255-K259 CarbonylContact O-C 3.53Å; F255-K259 PolarHBondContact O-N 3.35Å; F255-R260 PolarHBondContact O-N 2.88Å; F255-D261 HydrophobicContact CD1-CB 3.96Å; F255-D261 PolarHBondContact O-N 2.85Å; F255-A265 HydrophobicContact CB-CB 3.88Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.25Å; F255-Y268 HydrophobicContact CD2-CE2 4.07Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.33Å; F255-Y268 AromaticContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CG-CD2 4.37Å; F255-Y268 HydrophobicContact CG-CE2 4.33Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å
256V97.4Very high96.9Very high8 Ų834.8 Ų34.85%0.04816%0.161CC..Iπ-helixtrans-59.2-51.7174.3175.50000111.4G252 A253 L262 A265 W269 R319 A322G252-V256 PolarHBondContact O-N 2.75Å; G252-V256 VanDerWaalsContact O-N 3.08Å; A253-V256 PolarHBondContact O-N 2.75Å; V256-L262 HydrophobicContact CB-CD2 4.29Å; V256-L262 HydrophobicContact CG1-CD2 3.92Å; V256-L262 HydrophobicContact CG2-CD2 3.96Å; V256-A265 HydrophobicContact CG2-CB 3.5Å; V256-W269 HydrophobicContact CG2-CH2 3.64Å; V256-W269 HydrophobicContact CG2-CZ2 3.96Å; V256-R319 HydrophobicContact CG1-CB 4.35Å; V256-R319 HydrophobicContact CG1-CG 3.77Å; V256-A322 HydrophobicContact CB-CB 3.98Å; V256-A322 HydrophobicContact CG1-CB 4.08Å; V256-A322 HydrophobicContact CG2-CB 4.27Å
257D95.2Very high96.9Very high3 Ų339 Ų392%0.01618%0.178CC..Iπ-helixtrans-88.2-47.3-169-61.9-47.3000114A253 T254 R326 Y340 Y343 R344A253-D257 PolarHBondContact O-N 3.3Å; T254-D257 PolarHBondContact O-N 3.12Å; D257-R326 IonicContact OD2-CZ 2.71Å; D257-R326 IonicContact OD2-NH1 2.75Å; D257-R326 PolarHBondContact OD2-NH1 3.4Å; D257-R326 IonicContact OD2-NH2 2.85Å; D257-Y340 HydrophobicContact CB-CD1 3.58Å; D257-Y340 HydrophobicContact CB-CE1 3.37Å; D257-Y343 HydrophobicContact CB-CE1 4.36Å; D257-R344 IonicContact OD1-CZ 3.39Å; D257-R344 IonicContact OD1-NH2 3.63Å; D257-R344 PolarHBondContact OD1-NH2 2.96Å
258K94Very high96.9Very high106 Ų10639.6 Ų39.646%0.46118%0.18SC..Iπ-helixtrans-90.3-42.1-172-169.1178.4-177.5-177.60112.3T224 T254T224-K258 PolarHBondContact O-NZ 2.89Å; T254-K258 HydrophobicContact CG2-CB 4.07Å; T254-K258 HydrophobicContact CG2-CD 4.25Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.31Å; T254-K258 WeakPolarHBondContact O-CB 3.5Å; T254-K258 PolarHBondContact O-N 3.36Å
259K92.4Very high96.8Very high107 Ų10739.9 Ų39.947%0.46518%0.181SC..Iπ-helixtrans-89.5-15.9-179.5-55.6-64.9-175.1173.80113.1T254 F255 D261T254-K259 PolarHBondContact O-N 3.18Å; F255-K259 HydrophobicContact CD1-CB 4.31Å; F255-K259 HydrophobicContact CD1-CG 4.47Å; F255-K259 HydrophobicContact CD2-CG 4.17Å; F255-K259 HydrophobicContact CE2-CG 4.28Å; F255-K259 HydrophobicContact CG-CB 4.33Å; F255-K259 HydrophobicContact CG-CG 4.26Å; F255-K259 HydrophobicContact CZ-CG 4.46Å; F255-K259 CarbonylContact O-C 3.53Å; F255-K259 PolarHBondContact O-N 3.35Å; K259-D261 HydrophobicContact CB-CB 4.32Å; K259-D261 PolarHBondContact O-N 3.4Å
260R93.9Very high96.8Very high198 Ų19842.6 Ų42.675%0.74719%0.193SC*.  trans54.736.1-175.8-55.7179.9177.8-170.5-3.6112.2F255F255-R260 PolarHBondContact O-N 2.88Å
261D96.5Very high96.7Very high62 Ų6246.1 Ų46.133%0.33221%0.208SC..  trans-120.594.6-176.7176.312.4000110.2F255 K259 L263 G264 A265F255-D261 HydrophobicContact CD1-CB 3.96Å; F255-D261 PolarHBondContact O-N 2.85Å; K259-D261 HydrophobicContact CB-CB 4.32Å; K259-D261 PolarHBondContact O-N 3.4Å; D261-L263 PolarHBondContact OD1-N 2.81Å; D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; D261-G264 PolarHBondContact OD2-N 2.79Å; D261-A265 WeakPolarHBondContact O-CB 3.31Å; D261-A265 PolarHBondContact O-N 3.37Å
262L96.1Very high96.7Very high47 Ų4746.1 Ų46.125%0.24621%0.208CC..Hα-helixtrans-71.1-35.4-179.1-61.8-178.1000112.3V256 A265 L266 P315 M318V256-L262 HydrophobicContact CB-CD2 4.29Å; V256-L262 HydrophobicContact CG1-CD2 3.92Å; V256-L262 HydrophobicContact CG2-CD2 3.96Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.17Å; L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 PolarHBondContact O-N 2.93Å; L262-P315 HydrophobicContact CD1-CB 3.75Å; L262-P315 HydrophobicContact CD1-CG 4.3Å; L262-M318 HydrophobicContact CB-CE 3.85Å; L262-M318 HydrophobicContact CB-SD 3.93Å; L262-M318 HydrophobicContact CD1-SD 4.13Å; L262-M318 HydrophobicContact CD2-CB 4.27Å; L262-M318 HydrophobicContact CD2-CE 4.23Å; L262-M318 HydrophobicContact CD2-SD 4.18Å; L262-M318 HydrophobicContact CG-SD 4.3Å; L262-M318 WeakPolarHBondContact O-CE 3.43Å
263L95.5Very high96.5Very high117 Ų11746.6 Ų46.661%0.61321%0.211SC*.Hα-helixtrans-69.2-41.5178.9-66177000110.7D261 L266 K267 I312D261-L263 PolarHBondContact OD1-N 2.81Å; L263-L266 PolarHBondContact O-N 2.77Å; L263-K267 PolarHBondContact O-N 3.36Å; L263-I312 HydrophobicContact CD2-CD1 3.96Å
264G96.4Very high96.4Very high9 Ų951.7 Ų51.79%0.09324%0.238CC..Hα-helixtrans-61.2-42.9170.800000112.2D261 K267 Y268D261-G264 PolarHBondContact OD1-N 3.39Å; D261-G264 WeakPolarHBondContact OD2-CA 3.48Å; D261-G264 PolarHBondContact OD2-N 2.79Å; G264-K267 WeakPolarHBondContact O-CB 3.39Å; G264-K267 PolarHBondContact O-N 2.57Å; G264-Y268 WeakPolarHBondContact O-CD2 3.27Å; G264-Y268 PolarHBondContact O-N 3.33Å
265A97.8Very high96.3Very high0 Ų054 Ų540%025%0.249CC..Hα-helixtrans-58.1-50.2174.500000112G252 F255 V256 D261 L262 K267 Y268 W269G252-A265 WeakPolarHBondContact O-CB 3.26Å; F255-A265 HydrophobicContact CB-CB 3.88Å; V256-A265 HydrophobicContact CG2-CB 3.5Å; D261-A265 WeakPolarHBondContact O-CB 3.31Å; D261-A265 PolarHBondContact O-N 3.37Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.17Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 3.1Å; A265-Y268 PolarHBondContact O-N 3.13Å; A265-Y268 VanDerWaalsContact O-N 3.1Å; A265-W269 HydrophobicContact CB-CH2 4.47Å; A265-W269 PolarHBondContact O-N 2.99Å
266L96.7Very high96.1Very high9 Ų953.2 Ų53.25%0.04725%0.246CC..Hα-helixtrans-58.6-40178.3-176.861.4000111.7L262 L263 Y268 W269 K270 L308 I312 M318L262-L266 WeakPolarHBondContact O-CB 3.33Å; L262-L266 PolarHBondContact O-N 2.93Å; L263-L266 PolarHBondContact O-N 2.77Å; L266-Y268 PolarHBondContact O-N 2.95Å; L266-W269 PolarHBondContact O-N 3.09Å; L266-K270 HydrophobicContact CD1-CG 4.42Å; L266-K270 HydrophobicContact CG-CD 4.28Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 VanDerWaalsContact O-CG 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.36Å; L266-K270 PolarHBondContact O-N 2.8Å; L266-L308 HydrophobicContact CD1-CD1 3.55Å; L266-L308 HydrophobicContact CD1-CD2 4.43Å; L266-L308 HydrophobicContact CD1-CG 3.65Å; L266-L308 WeakPolarHBondContact CD1-O 2.94Å; L266-I312 HydrophobicContact CD2-CB 4.41Å; L266-I312 HydrophobicContact CD2-CD1 4.19Å; L266-I312 HydrophobicContact CD2-CG1 4.48Å; L266-M318 HydrophobicContact CB-CE 4.24Å
267K96.9Very high95.9Very high121 Ų12157 Ų5753%0.52626%0.259SS..Hα-helixtrans-57.6-46.1174.7176.6-174.2175.3-175.60112L263 G264 A265 K270 K271L263-K267 PolarHBondContact O-N 3.36Å; G264-K267 WeakPolarHBondContact O-CB 3.39Å; G264-K267 PolarHBondContact O-N 2.57Å; A265-K267 VanDerWaalsContact C-N 3.28Å; A265-K267 PolarHBondContact O-N 3.1Å; K267-K270 PolarHBondContact O-N 3.25Å; K267-K271 PolarHBondContact O-N 2.87Å; K267-K271 VanDerWaalsContact O-N 3.09Å
268Y98.1Very high95.6Very high13 Ų1361 Ų615%0.05129%0.288CS..Hα-helixtrans-72.3-37179-68.3-66.6000112.6T227 L248 L251 F255 G264 A265 L266 K270 K271 A272T227-Y268 HydrophobicContact CG2-CE2 4.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.45Å; L248-Y268 HydrophobicContact CD2-CD1 4.02Å; L251-Y268 HydrophobicContact CD2-CD1 3.66Å; L251-Y268 HydrophobicContact CD2-CD2 4.07Å; L251-Y268 HydrophobicContact CD2-CE1 3.57Å; L251-Y268 HydrophobicContact CD2-CE2 4Å; L251-Y268 HydrophobicContact CD2-CG 3.93Å; L251-Y268 HydrophobicContact CG-CD1 4.43Å; L251-Y268 HydrophobicContact CG-CD2 4.09Å; L251-Y268 HydrophobicContact CG-CE2 4.26Å; L251-Y268 HydrophobicContact CG-CG 4.21Å; F255-Y268 HydrophobicContact CD1-CE2 4.23Å; F255-Y268 HydrophobicContact CD2-CD2 4.25Å; F255-Y268 HydrophobicContact CD2-CE2 4.07Å; F255-Y268 AromaticContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE1-CE2 3.89Å; F255-Y268 HydrophobicContact CE2-CD2 4.33Å; F255-Y268 AromaticContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CE2-CE2 3.71Å; F255-Y268 HydrophobicContact CG-CD2 4.37Å; F255-Y268 HydrophobicContact CG-CE2 4.33Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å; G264-Y268 WeakPolarHBondContact O-CD2 3.27Å; G264-Y268 PolarHBondContact O-N 3.33Å; A265-Y268 PolarHBondContact O-N 3.13Å; A265-Y268 VanDerWaalsContact O-N 3.1Å; L266-Y268 PolarHBondContact O-N 2.95Å; Y268-K270 VanDerWaalsContact C-N 3.33Å; Y268-K270 PolarHBondContact O-N 3.32Å; Y268-K271 HydrophobicContact CD1-CD 4.21Å; Y268-K271 WeakPolarHBondContact O-CB 3.21Å; Y268-K271 PolarHBondContact O-N 3.2Å; Y268-A272 PolarHBondContact O-N 3.31Å
269W98Very high95.4Very high11 Ų1158.8 Ų58.84%0.04228%0.281CS..Hα-helixtrans-63.6-37.9173-67.1-18.8000112.4E249 V256 A265 L266 A272 M273 L308 L311 M318 Q321 I325E249-W269 PolarHBondContact O-NE1 2.8Å; V256-W269 HydrophobicContact CG2-CH2 3.64Å; V256-W269 HydrophobicContact CG2-CZ2 3.96Å; A265-W269 HydrophobicContact CB-CH2 4.47Å; A265-W269 PolarHBondContact O-N 2.99Å; L266-W269 PolarHBondContact O-N 3.09Å; W269-A272 PolarHBondContact O-N 2.92Å; W269-M273 VanDerWaalsContact O-CB 3.28Å; W269-M273 WeakPolarHBondContact O-CB 3.45Å; W269-M273 PolarHBondContact O-N 2.96Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.1Å; W269-L308 HydrophobicContact CE3-CD1 4.03Å; W269-L311 HydrophobicContact CE3-CD1 4.34Å; W269-L311 HydrophobicContact CZ3-CD1 4.12Å; W269-M318 HydrophobicContact CE3-CE 4.35Å; W269-M318 WeakPolarHBondContact CH2-O 3.36Å; W269-M318 HydrophobicContact CZ3-CB 4.37Å; W269-M318 HydrophobicContact CZ3-CE 3.71Å; W269-M318 HydrophobicContact CZ3-CG 4.39Å; W269-Q321 HydrophobicContact CH2-CB 3.89Å; W269-Q321 HydrophobicContact CZ2-CB 4.4Å; W269-Q321 HydrophobicContact CZ3-CB 4.31Å; W269-I325 HydrophobicContact CZ2-CD1 3.91Å
270K97.2Very high95Very high62 Ų6264.7 Ų64.727%0.2730%0.301SS..Hα-helixtrans-63.7-43.5172.6-75.2177.9-177.5-1750111.5L266 K267 Y268 A272 M273 N274 L308 E309L266-K270 HydrophobicContact CD1-CG 4.42Å; L266-K270 HydrophobicContact CG-CD 4.28Å; L266-K270 WeakPolarHBondContact O-CB 3.46Å; L266-K270 VanDerWaalsContact O-CG 3.3Å; L266-K270 WeakPolarHBondContact O-CG 3.36Å; L266-K270 PolarHBondContact O-N 2.8Å; K267-K270 PolarHBondContact O-N 3.25Å; Y268-K270 VanDerWaalsContact C-N 3.33Å; Y268-K270 PolarHBondContact O-N 3.32Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.38Å; K270-M273 PolarHBondContact O-N 3.04Å; K270-N274 WeakPolarHBondContact O-CB 3.48Å; K270-N274 VanDerWaalsContact O-CG 3.22Å; K270-N274 PolarHBondContact O-N 3.39Å; K270-N274 PolarHBondContact O-ND2 3.4Å; K270-L308 HydrophobicContact CB-CD2 4.27Å; K270-L308 HydrophobicContact CG-CD2 3.59Å; K270-L308 HydrophobicContact CG-CG 4.3Å; K270-E309 VanDerWaalsContact CE-CD 3.43Å; K270-E309 WeakPolarHBondContact CE-OE1 3.4Å; K270-E309 WeakPolarHBondContact CE-OE2 3.49Å; K270-E309 IonicContact NZ-OE1 2.81Å; K270-E309 PolarHBondContact NZ-OE1 2.73Å; K270-E309 IonicContact NZ-OE2 2.79Å; K270-E309 PolarHBondContact NZ-OE2 2.66Å
271K97.1Very high94.8Very high74 Ų7461.6 Ų61.632%0.32230%0.304SS..Hα-helixtrans-58.1-45.8173.3-75.1-177.5173-173.50111.5D231 L248 K267 Y268 M275D231-K271 IonicContact OD1-NZ 3.89Å; D231-K271 PolarHBondContact OD1-NZ 2.9Å; L248-K271 HydrophobicContact CD1-CB 4.21Å; L248-K271 HydrophobicContact CD2-CD 4.4Å; K267-K271 PolarHBondContact O-N 2.87Å; K267-K271 VanDerWaalsContact O-N 3.09Å; Y268-K271 HydrophobicContact CD1-CD 4.21Å; Y268-K271 WeakPolarHBondContact O-CB 3.21Å; Y268-K271 PolarHBondContact O-N 3.2Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 PolarHBondContact O-N 3.17Å
272A97.5Very high94.5Very high0 Ų063 Ų630%031%0.311CS..Hα-helixtrans-64.7-45178.500000112.3I245 L248 E249 Y268 W269 K270 M275 R276I245-A272 HydrophobicContact CG2-CB 4.45Å; L248-A272 HydrophobicContact CB-CB 3.77Å; E249-A272 HydrophobicContact CG-CB 3.56Å; Y268-A272 PolarHBondContact O-N 3.31Å; W269-A272 PolarHBondContact O-N 2.92Å; K270-A272 VanDerWaalsContact C-N 3.34Å; K270-A272 PolarHBondContact O-N 3.38Å; A272-M275 PolarHBondContact O-N 3.43Å; A272-M275 VanDerWaalsContact O-N 3.15Å; A272-R276 PolarHBondContact O-N 2.94Å
273M95.9Very high94.2Very high11 Ų1164.2 Ų64.25%0.05432%0.317CS..Hα-helixtrans-57.7-50.8176.2-169.366.673.100110.3W269 K270 M275 R276 Y277 V302 S304 L308W269-M273 VanDerWaalsContact O-CB 3.28Å; W269-M273 WeakPolarHBondContact O-CB 3.45Å; W269-M273 PolarHBondContact O-N 2.96Å; K270-M273 PolarHBondContact O-N 3.04Å; M273-M275 VanDerWaalsContact C-N 3.27Å; M273-M275 PolarHBondContact O-N 3.34Å; M273-R276 WeakPolarHBondContact O-CB 3.24Å; M273-R276 PolarHBondContact O-N 2.98Å; M273-R276 VanDerWaalsContact O-N 3.08Å; M273-Y277 HydrophobicContact CG-CD2 4.24Å; M273-Y277 HydrophobicContact CG-CE2 4.4Å; M273-Y277 VanDerWaalsContact O-CD2 3.26Å; M273-Y277 WeakPolarHBondContact O-CD2 3.36Å; M273-Y277 PolarHBondContact O-N 2.92Å; M273-Y277 HydrophobicContact SD-CD2 3.84Å; M273-Y277 HydrophobicContact SD-CE2 3.41Å; M273-Y277 WeakPolarHBondContact SD-CE2 3.4Å; M273-V302 HydrophobicContact CE-CG2 4.23Å; M273-S304 WeakPolarHBondContact CE-O 3.39Å; M273-L308 HydrophobicContact CB-CD2 4.11Å; M273-L308 HydrophobicContact CE-CB 4.42Å; M273-L308 HydrophobicContact CE-CD2 4.31Å; M273-L308 HydrophobicContact CG-CD2 4.48Å
274N95.5Very high94Very high107 Ų10760.1 Ų60.157%0.57230%0.296SS*.Hα-helixtrans-57.4-41175.9-70.5-14.9000111.8K270 R276 Y277 S278K270-N274 WeakPolarHBondContact O-CB 3.48Å; K270-N274 VanDerWaalsContact O-CG 3.22Å; K270-N274 PolarHBondContact O-N 3.39Å; K270-N274 PolarHBondContact O-ND2 3.4Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.3Å; N274-Y277 CarbonylContact O-C 3.45Å; N274-Y277 PolarHBondContact O-N 3.47Å; N274-S278 WeakPolarHBondContact O-CA 3.16Å; N274-S278 WeakPolarHBondContact O-CB 3.29Å; N274-S278 PolarHBondContact O-N 3.49Å
275M95.3Very high93.7Very high47 Ų4763.6 Ų63.623%0.23232%0.319CS..Hα-helixtrans-68.6-29.6178.3-169.3178.1-65.600113.3K241 R244 I245 L248 K271 A272 M273 S278K241-M275 WeakPolarHBondContact CE-O 3.34Å; K241-M275 HydrophobicContact CG-CG 4.48Å; R244-M275 HydrophobicContact CB-CE 4.44Å; R244-M275 HydrophobicContact CB-SD 3.68Å; I245-M275 HydrophobicContact CD1-CG 4.14Å; I245-M275 HydrophobicContact CG1-CB 3.91Å; I245-M275 HydrophobicContact CG1-CG 3.65Å; I245-M275 HydrophobicContact CG1-SD 3.71Å; L248-M275 HydrophobicContact CD1-CE 3.83Å; L248-M275 HydrophobicContact CD1-SD 4.38Å; K271-M275 WeakPolarHBondContact O-CB 3.36Å; K271-M275 PolarHBondContact O-N 3.17Å; A272-M275 PolarHBondContact O-N 3.43Å; A272-M275 VanDerWaalsContact O-N 3.15Å; M273-M275 VanDerWaalsContact C-N 3.27Å; M273-M275 PolarHBondContact O-N 3.34Å; M275-S278 PolarHBondContact O-OG 3.33Å
276R94.7Very high93.4Very high6 Ų664.6 Ų64.62%0.02332%0.323CS..Hα-helixtrans-65.4-44.1172.4-75-179.5179.9-73.4-2.6111.7I245 E249 A272 M273 N274 I284I245-R276 HydrophobicContact CD1-CG 3.87Å; I245-R276 HydrophobicContact CG1-CG 4.31Å; I245-R276 HydrophobicContact CG2-CG 3.63Å; E249-R276 IonicContact OE1-CZ 2.54Å; E249-R276 IonicContact OE1-NE 3.09Å; E249-R276 PolarHBondContact OE1-NE 3.37Å; E249-R276 IonicContact OE1-NH2 3.73Å; E249-R276 PolarHBondContact OE1-NH2 3.12Å; E249-R276 IonicContact OE2-CZ 3.15Å; E249-R276 IonicContact OE2-NH2 3.59Å; E249-R276 PolarHBondContact OE2-NH2 3.16Å; A272-R276 PolarHBondContact O-N 2.94Å; M273-R276 WeakPolarHBondContact O-CB 3.24Å; M273-R276 PolarHBondContact O-N 2.98Å; M273-R276 VanDerWaalsContact O-N 3.08Å; N274-R276 VanDerWaalsContact C-N 3.35Å; N274-R276 PolarHBondContact O-N 3.3Å; R276-I284 PolarHBondContact NH1-O 3.36Å; R276-I284 PolarHBondContact O-N 3.21Å
277Y92.6Very high93.1Very high86 Ų8668.6 Ų68.634%0.33735%0.35SS..Hα-helixtrans-103.23.5-171.3-62.9-82.1000114.4M273 N274 D279 I283 N303M273-Y277 HydrophobicContact CG-CD2 4.24Å; M273-Y277 HydrophobicContact CG-CE2 4.4Å; M273-Y277 VanDerWaalsContact O-CD2 3.26Å; M273-Y277 WeakPolarHBondContact O-CD2 3.36Å; M273-Y277 PolarHBondContact O-N 2.92Å; M273-Y277 HydrophobicContact SD-CD2 3.84Å; M273-Y277 HydrophobicContact SD-CE2 3.41Å; M273-Y277 WeakPolarHBondContact SD-CE2 3.4Å; N274-Y277 CarbonylContact O-C 3.45Å; N274-Y277 PolarHBondContact O-N 3.47Å; Y277-D279 PolarHBondContact O-N 2.7Å; Y277-I283 HydrophobicContact CD1-CD1 4.08Å; Y277-I283 HydrophobicContact CD1-CG1 4.26Å; Y277-I283 HydrophobicContact CD1-CG2 3.72Å; Y277-I283 HydrophobicContact CE1-CD1 4.45Å; Y277-I283 HydrophobicContact CE1-CG2 3.57Å; Y277-N303 PolarHBondContact OH-O 3.01Å
278S89.6Confident92.6Very high89 Ų8969 Ų6962%0.62236%0.362SS*.SBendtrans-61.1-31.3-177.466.10000113.2N274 M275N274-S278 WeakPolarHBondContact O-CA 3.16Å; N274-S278 WeakPolarHBondContact O-CB 3.29Å; N274-S278 PolarHBondContact O-N 3.49Å; M275-S278 PolarHBondContact O-OG 3.33Å
279D88.8Confident92Very high59 Ų5971.5 Ų71.532%0.31638%0.38SS..SBendtrans-114.9106.2176.2180-5.2000108.5Y277 T281 N282 I283Y277-D279 PolarHBondContact O-N 2.7Å; D279-T281 PolarHBondContact O-N 3.21Å; D279-T281 WeakPolarHBondContact OD1-CB 3.41Å; D279-T281 PolarHBondContact OD1-N 2.87Å; D279-T281 PolarHBondContact OD1-OG1 2.89Å; D279-N282 HydrophobicContact CB-CB 4.44Å; D279-N282 CarbonylContact O-C 3.54Å; D279-N282 PolarHBondContact O-N 3.47Å; D279-N282 VanDerWaalsContact O-N 3.13Å; D279-N282 PolarHBondContact OD1-N 2.93Å; D279-N282 WeakPolarHBondContact OD2-CB 2.99Å; D279-I283 PolarHBondContact O-N 2.87Å
280R85.6Confident91.3Very high230 Ų23080.5 Ų80.587%0.86842%0.422SS*.THydrogen-bonded Turntrans-63.7-20.6-179-65.8-174-179.5-172.5-0113
281T88.8Confident91Very high133 Ų13382.6 Ų82.682%0.81644%0.44SS*.THydrogen-bonded Turntrans-89-16.517968.50000112.8D279D279-T281 PolarHBondContact O-N 3.21Å; D279-T281 WeakPolarHBondContact OD1-CB 3.41Å; D279-T281 PolarHBondContact OD1-N 2.87Å; D279-T281 PolarHBondContact OD1-OG1 2.89Å
282N89.5Confident90.8Very high92 Ų9282.5 Ų82.549%0.49244%0.443SS..SBendtrans-140.162.6-176.5-170.318.7000111.3K241 D279K241-N282 PolarHBondContact NZ-O 2.7Å; D279-N282 HydrophobicContact CB-CB 4.44Å; D279-N282 CarbonylContact O-C 3.54Å; D279-N282 PolarHBondContact O-N 3.47Å; D279-N282 VanDerWaalsContact O-N 3.13Å; D279-N282 PolarHBondContact OD1-N 2.93Å; D279-N282 WeakPolarHBondContact OD2-CB 2.99Å
283I91.3Very high90.6Very high72 Ų7284.6 Ų84.637%0.36945%0.454SS..  trans-74.1128176.6-61.9172.4000109.2Y277 D279 S285Y277-I283 HydrophobicContact CD1-CD1 4.08Å; Y277-I283 HydrophobicContact CD1-CG1 4.26Å; Y277-I283 HydrophobicContact CD1-CG2 3.72Å; Y277-I283 HydrophobicContact CE1-CD1 4.45Å; Y277-I283 HydrophobicContact CE1-CG2 3.57Å; D279-I283 PolarHBondContact O-N 2.87Å; I283-S285 PolarHBondContact O-N 3.37Å
284I91.1Very high90.6Very high31 Ų3188.5 Ų88.516%0.15947%0.473CS..  trans-95.290.6174.3-56.9180000108.3K241 I245 R276K241-I284 HydrophobicContact CB-CD1 4.07Å; K241-I284 HydrophobicContact CD-CD1 3.72Å; K241-I284 HydrophobicContact CG-CD1 3.75Å; I245-I284 HydrophobicContact CD1-CB 4.2Å; I245-I284 HydrophobicContact CD1-CD1 3.83Å; I245-I284 HydrophobicContact CD1-CG1 4.48Å; R276-I284 PolarHBondContact NH1-O 3.36Å; R276-I284 PolarHBondContact O-N 3.21Å
285S90.5Very high90.7Very high83 Ų8383.8 Ų83.858%0.5845%0.449SS*.PPolyproline II helixtrans-69.5150.7177.9-61.20000112.2I283I283-S285 PolarHBondContact O-N 3.37Å
286K91Very high90.7Very high21 Ų2181.5 Ų81.59%0.09144%0.438CS..PPolyproline II helixtrans-72.5147.2168.9-64.8-176.4-178.2-175.80109.8E249 E301 V302E249-K286 VanDerWaalsContact OE1-CE 3.26Å; E249-K286 WeakPolarHBondContact OE1-CE 3.09Å; E249-K286 IonicContact OE1-NZ 3.31Å; K286-E301 HydrophobicContact CD-CB 4.12Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.35Å; K286-E301 IonicContact NZ-OE2 2.7Å; K286-E301 PolarHBondContact NZ-OE2 3.08Å; K286-V302 WeakPolarHBondContact CE-O 3.32Å; K286-V302 PolarHBondContact NZ-O 3.1Å
287P90.1Very high90.7Very high93 Ų9386.7 Ų86.760%0.60447%0.466SS*.PPolyproline II helixtrans-62.5137.3171.727.8-33.7000109.9R328P287-R328 HydrophobicContact CG-CG 4.19Å
288V86.9Confident90.8Very high128 Ų12888.9 Ų88.978%0.77648%0.475SS*.PPolyproline II helixtrans-75124175.4-178.40000108.5Q290V288-Q290 PolarHBondContact O-N 3.39Å
289P84.2Confident91.1Very high67 Ų6785.1 Ų85.144%0.43545%0.449SS..PPolyproline II helixtrans-65.9135.9177.925.9-32.5000110.5L292P289-L292 HydrophobicContact CG-CD2 4.02Å
290Q84.4Confident91.4Very high199 Ų19987.8 Ų87.893%0.9346%0.457SS*.SBendtrans-68.1-35.6177.5-68.1-179.9-300112.2V288V288-Q290 PolarHBondContact O-N 3.39Å
291T90Very high91.9Very high106 Ų10678 Ų7865%0.6542%0.422SS*.SBendtrans-147.4136.8-179.7-58.50000109
292L93.3Very high92.1Very high72 Ų7272.3 Ų72.338%0.37739%0.386SS..  trans-78.7138.3175.6-60.1176.9000109.8P289 Y298 K300P289-L292 HydrophobicContact CG-CD2 4.02Å; L292-Y298 HydrophobicContact CB-CD1 3.94Å; L292-Y298 HydrophobicContact CB-CG 4.49Å; L292-K300 HydrophobicContact CD2-CB 4.25Å
293I94.5Very high92.3Very high44 Ų4470 Ų7023%0.22637%0.374CS..  trans-89.7119.6-171.7-55-56.4000110A295 Y296 Y298 Y363I293-A295 HydrophobicContact CG2-CB 4Å; I293-A295 PolarHBondContact O-N 2.92Å; I293-Y296 HydrophobicContact CB-CD2 3.73Å; I293-Y296 HydrophobicContact CB-CE2 4.26Å; I293-Y296 HydrophobicContact CB-CG 4.3Å; I293-Y296 HydrophobicContact CG1-CD2 4.2Å; I293-Y296 HydrophobicContact CG1-CE2 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 4.01Å; I293-Y296 HydrophobicContact CG2-CE2 4.29Å; I293-Y296 HydrophobicContact CG2-CG 4.33Å; I293-Y296 PolarHBondContact O-N 3.38Å; I293-Y298 PolarHBondContact O-N 2.65Å; I293-Y363 HydrophobicContact CD1-CE2 4.26Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.98Å; I293-Y363 HydrophobicContact CG2-CE1 3.93Å; I293-Y363 HydrophobicContact CG2-CE2 3.71Å; I293-Y363 HydrophobicContact CG2-CG 4.2Å
294M95.7Very high92.3Very high94 Ų9468 Ų6846%0.46337%0.367SS..G310 helixtrans-56.9-36.3178.4-179-83.5-70.200112.8Y296 D297 Y298 N359M294-Y296 PolarHBondContact O-N 3.04Å; M294-D297 WeakPolarHBondContact O-CA 3.11Å; M294-D297 PolarHBondContact O-N 3Å; M294-Y298 HydrophobicContact CB-CE1 3.92Å; M294-Y298 HydrophobicContact CB-CE2 4.23Å; M294-Y298 HydrophobicContact CG-CE2 4.04Å; M294-Y298 WeakPolarHBondContact CG-OH 3.49Å; M294-N359 HydrophobicContact SD-CB 4.42Å
295A95.9Very high92.4Very high7 Ų768.8 Ų68.86%0.05838%0.377CS..G310 helixtrans-63-23.8178.700000113.4I293 D297 L360 Y363I293-A295 HydrophobicContact CG2-CB 4Å; I293-A295 PolarHBondContact O-N 2.92Å; A295-D297 VanDerWaalsContact C-N 3.33Å; A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 WeakPolarHBondContact O-CD2 3.37Å; A295-Y363 HydrophobicContact CB-CD1 4.29Å; A295-Y363 HydrophobicContact CB-CG 3.94Å
296Y96.4Very high92.5Very high0 Ų071.8 Ų71.80%038%0.382CS..G310 helixtrans-96.618.9173-55.1-31.4000112.5I293 M294 Y298 A299 L323 L324 E327 I341 L360 Y363I293-Y296 HydrophobicContact CB-CD2 3.73Å; I293-Y296 HydrophobicContact CB-CE2 4.26Å; I293-Y296 HydrophobicContact CB-CG 4.3Å; I293-Y296 HydrophobicContact CG1-CD2 4.2Å; I293-Y296 HydrophobicContact CG1-CE2 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 4.01Å; I293-Y296 HydrophobicContact CG2-CE2 4.29Å; I293-Y296 HydrophobicContact CG2-CG 4.33Å; I293-Y296 PolarHBondContact O-N 3.38Å; M294-Y296 PolarHBondContact O-N 3.04Å; Y296-Y298 PolarHBondContact O-N 2.91Å; Y296-A299 WeakPolarHBondContact O-CB 3Å; Y296-A299 PolarHBondContact O-N 2.84Å; Y296-L323 HydrophobicContact CD1-CB 4.46Å; Y296-L323 HydrophobicContact CD1-CD1 3.99Å; Y296-L323 HydrophobicContact CE1-CB 4Å; Y296-L323 HydrophobicContact CE1-CD1 3.69Å; Y296-L323 HydrophobicContact CE1-CG 4.5Å; Y296-L324 HydrophobicContact CD2-CD2 3.61Å; Y296-L324 HydrophobicContact CD2-CG 4.25Å; Y296-L324 HydrophobicContact CE2-CD2 4.09Å; Y296-E327 VanDerWaalsContact CE2-OE2 3.25Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.45Å; Y296-E327 PolarHBondContact OH-OE2 2.98Å; Y296-I341 HydrophobicContact CE1-CG1 4.18Å; Y296-I341 HydrophobicContact CE1-CG2 4.46Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.08Å; Y296-I341 VanDerWaalsContact OH-CG1 3.29Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.06Å; Y296-L360 HydrophobicContact CD1-CD2 3.69Å; Y296-L360 HydrophobicContact CE1-CD2 3.78Å; Y296-Y363 HydrophobicContact CE1-CD1 4.24Å; Y296-Y363 HydrophobicContact CE1-CE1 4.34Å; Y296-Y363 AromaticContact CE2-CE1 3.97Å; Y296-Y363 HydrophobicContact CE2-CE1 3.97Å; Y296-Y363 AromaticContact CZ-CD1 3.99Å; Y296-Y363 AromaticContact CZ-CE1 3.65Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.38Å
297D94.2Very high92.7Very high115 Ų11575.4 Ų75.462%0.61540%0.4SS*.THydrogen-bonded Turntrans54.534.9-175.1-15623.1000113M294 A295 A299M294-D297 WeakPolarHBondContact O-CA 3.11Å; M294-D297 PolarHBondContact O-N 3Å; A295-D297 VanDerWaalsContact C-N 3.33Å; D297-A299 PolarHBondContact O-N 3.42Å; D297-A299 VanDerWaalsContact O-N 3.12Å
298Y95.8Very high92.9Very high132 Ų13271.1 Ų71.152%0.51837%0.371SS..THydrogen-bonded Turntrans58.621.7-176-49.9-84.1000114.2L292 I293 M294 Y296L292-Y298 HydrophobicContact CB-CD1 3.94Å; L292-Y298 HydrophobicContact CB-CG 4.49Å; I293-Y298 PolarHBondContact O-N 2.65Å; M294-Y298 HydrophobicContact CB-CE1 3.92Å; M294-Y298 HydrophobicContact CB-CE2 4.23Å; M294-Y298 HydrophobicContact CG-CE2 4.04Å; M294-Y298 WeakPolarHBondContact CG-OH 3.49Å; Y296-Y298 PolarHBondContact O-N 2.91Å
299A95Very high93.1Very high10 Ų1069.7 Ų69.78%0.08336%0.356CS..  trans-55.4149.3174.600000111.6Y296 D297 M320 L324Y296-A299 WeakPolarHBondContact O-CB 3Å; Y296-A299 PolarHBondContact O-N 2.84Å; D297-A299 PolarHBondContact O-N 3.42Å; D297-A299 VanDerWaalsContact O-N 3.12Å; A299-M320 HydrophobicContact CB-CB 3.75Å; A299-M320 HydrophobicContact CB-CG 4.3Å; A299-L324 HydrophobicContact CB-CD1 3.9Å
300K94.9Very high93.5Very high114 Ų11468.9 Ų68.950%0.49636%0.361SS..  trans-128.8139.4-179.9-179.4-176.9173.8-171.50109.2L292 V302 Q321L292-K300 HydrophobicContact CD2-CB 4.25Å; K300-V302 PolarHBondContact O-N 3.11Å; K300-Q321 PolarHBondContact O-NE2 3.22Å
301E95.8Very high94Very high26 Ų2659.9 Ų59.912%0.12132%0.319CS..  trans-59135.8176.7-75.5-166.3-118.700111.9K286 N303 Q321 L324 I325 R328K286-E301 HydrophobicContact CD-CB 4.12Å; K286-E301 WeakPolarHBondContact CD-OE2 3.47Å; K286-E301 WeakPolarHBondContact CE-OE2 3.35Å; K286-E301 IonicContact NZ-OE2 2.7Å; K286-E301 PolarHBondContact NZ-OE2 3.08Å; E301-N303 PolarHBondContact O-ND2 3.09Å; E301-Q321 VanDerWaalsContact CA-OE1 3.26Å; E301-L324 HydrophobicContact CG-CB 3.6Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; E301-L324 HydrophobicContact CG-CG 4.49Å; E301-I325 HydrophobicContact CG-CG1 4.36Å; E301-I325 VanDerWaalsContact OE2-CG1 3.31Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.39Å; E301-R328 WeakPolarHBondContact OE1-CD 3.38Å; E301-R328 IonicContact OE1-CZ 2.83Å; E301-R328 IonicContact OE1-NE 3.88Å; E301-R328 PolarHBondContact OE1-NE 3.14Å; E301-R328 IonicContact OE1-NH2 3.55Å; E301-R328 IonicContact OE2-CZ 3.26Å; E301-R328 IonicContact OE2-NE 3.8Å; E301-R328 PolarHBondContact OE2-NE 3.36Å; E301-R328 IonicContact OE2-NH2 3.7Å; E301-R328 PolarHBondContact OE2-NH2 2.89Å
302V94.6Very high93.9Very high12 Ų1259.4 Ų59.47%0.07331%0.311CS..  trans-59.8137172.6-64.40000111.2M273 K286 K300 E307 L308 L311M273-V302 HydrophobicContact CE-CG2 4.23Å; K286-V302 WeakPolarHBondContact CE-O 3.32Å; K286-V302 PolarHBondContact NZ-O 3.1Å; K300-V302 PolarHBondContact O-N 3.11Å; V302-E307 WeakPolarHBondContact CA-OE2 3.28Å; V302-E307 HydrophobicContact CB-CB 4.06Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; V302-L308 HydrophobicContact CG2-CB 4.45Å; V302-L308 HydrophobicContact CG2-CD1 4.08Å; V302-L311 HydrophobicContact CG1-CD1 3.8Å; V302-L311 HydrophobicContact CG1-CD2 4.02Å; V302-L311 HydrophobicContact CG1-CG 3.95Å; V302-L311 HydrophobicContact CG2-CD1 4.35Å
303N92.3Very high93.7Very high45 Ų4560.3 Ų60.324%0.24133%0.329CS..  trans-123.41-177.1-62.7-69.3000113.6Y277 E301 E307Y277-N303 PolarHBondContact OH-O 3.01Å; E301-N303 PolarHBondContact O-ND2 3.09Å; N303-E307 PolarHBondContact N-OE2 2.94Å
304S92.7Very high93.8Very high30 Ų3061.8 Ų61.821%0.2134%0.337CS..SBendtrans-136.6162.517672.10000112.2M273 E306 E307 L308M273-S304 WeakPolarHBondContact CE-O 3.39Å; S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; S304-E307 WeakPolarHBondContact OG-CB 3.43Å; S304-E307 VanDerWaalsContact OG-CG 3.25Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 2.84Å; S304-E307 VanDerWaalsContact OG-N 3.1Å; S304-L308 WeakPolarHBondContact O-CB 3.43Å; S304-L308 PolarHBondContact O-N 3.49Å; S304-L308 VanDerWaalsContact O-N 3.13Å
305A91.7Very high93.7Very high46 Ų4659.8 Ų59.838%0.3833%0.332SS..Hα-helixtrans-66.5-35.1175.600000111.2L308 E309A305-L308 WeakPolarHBondContact O-CB 3.25Å; A305-L308 PolarHBondContact O-N 2.78Å; A305-E309 WeakPolarHBondContact O-CG 2.7Å; A305-E309 PolarHBondContact O-N 2.98Å
306E92.9Very high93.7Very high146 Ų14661.4 Ų61.468%0.68234%0.339SS*.Hα-helixtrans-65.8-46.3177.9-62.475.9-166.100111.7S304 L308 E309 G310S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.39Å; E306-E309 PolarHBondContact O-N 2.92Å; E306-G310 PolarHBondContact O-N 3.03Å; E306-G310 VanDerWaalsContact O-N 3.12Å
307E94.7Very high93.6Very high98 Ų9863.8 Ų63.846%0.45835%0.35SS..Hα-helixtrans-59.8-40.6174-74.9171.9-171.600110.9V302 N303 S304 G310 L311V302-E307 WeakPolarHBondContact CA-OE2 3.28Å; V302-E307 HydrophobicContact CB-CB 4.06Å; V302-E307 HydrophobicContact CG1-CB 3.99Å; N303-E307 PolarHBondContact N-OE2 2.94Å; S304-E307 WeakPolarHBondContact OG-CB 3.43Å; S304-E307 VanDerWaalsContact OG-CG 3.25Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 2.84Å; S304-E307 VanDerWaalsContact OG-N 3.1Å; E307-G310 PolarHBondContact O-N 2.83Å; E307-L311 PolarHBondContact O-N 2.8Å
308L94.4Very high93.8Very high2 Ų258.5 Ų58.51%0.0132%0.322CS..Hα-helixtrans-65.9-38.4179.3-178.462.4000112.6L266 W269 K270 M273 V302 S304 A305 E306 G310 L311L266-L308 HydrophobicContact CD1-CD1 3.55Å; L266-L308 HydrophobicContact CD1-CD2 4.43Å; L266-L308 HydrophobicContact CD1-CG 3.65Å; L266-L308 WeakPolarHBondContact CD1-O 2.94Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.1Å; W269-L308 HydrophobicContact CE3-CD1 4.03Å; K270-L308 HydrophobicContact CB-CD2 4.27Å; K270-L308 HydrophobicContact CG-CD2 3.59Å; K270-L308 HydrophobicContact CG-CG 4.3Å; M273-L308 HydrophobicContact CB-CD2 4.11Å; M273-L308 HydrophobicContact CE-CB 4.42Å; M273-L308 HydrophobicContact CE-CD2 4.31Å; M273-L308 HydrophobicContact CG-CD2 4.48Å; V302-L308 HydrophobicContact CG2-CB 4.45Å; V302-L308 HydrophobicContact CG2-CD1 4.08Å; S304-L308 WeakPolarHBondContact O-CB 3.43Å; S304-L308 PolarHBondContact O-N 3.49Å; S304-L308 VanDerWaalsContact O-N 3.13Å; A305-L308 WeakPolarHBondContact O-CB 3.25Å; A305-L308 PolarHBondContact O-N 2.78Å; E306-L308 VanDerWaalsContact C-N 3.26Å; E306-L308 PolarHBondContact O-N 3.39Å; L308-G310 VanDerWaalsContact C-N 3.32Å; L308-L311 HydrophobicContact CD1-CD1 3.97Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.18Å
309E92.1Very high93.8Very high98 Ų9855.8 Ų55.846%0.45831%0.311SS..Hα-helixtrans-66.2-35.1173-69.1-66.8178.200111.9K270 A305 E306 L311 I312K270-E309 VanDerWaalsContact CE-CD 3.43Å; K270-E309 WeakPolarHBondContact CE-OE1 3.4Å; K270-E309 WeakPolarHBondContact CE-OE2 3.49Å; K270-E309 IonicContact NZ-OE1 2.81Å; K270-E309 PolarHBondContact NZ-OE1 2.73Å; K270-E309 IonicContact NZ-OE2 2.79Å; K270-E309 PolarHBondContact NZ-OE2 2.66Å; A305-E309 WeakPolarHBondContact O-CG 2.7Å; A305-E309 PolarHBondContact O-N 2.98Å; E306-E309 PolarHBondContact O-N 2.92Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-I312 WeakPolarHBondContact O-CG2 3.36Å; E309-I312 PolarHBondContact O-N 3.26Å
310G93.2Very high93.9Very high51 Ų5155.3 Ų55.353%0.52631%0.307SS..Hα-helixtrans-61.2-28.6176.800000114.1E306 E307 L308 I312 A313E306-G310 PolarHBondContact O-N 3.03Å; E306-G310 VanDerWaalsContact O-N 3.12Å; E307-G310 PolarHBondContact O-N 2.83Å; L308-G310 VanDerWaalsContact C-N 3.32Å; G310-I312 PolarHBondContact O-N 3.39Å; G310-A313 PolarHBondContact O-N 3.06Å
311L93.3Very high94.1Very high10 Ų1050 Ų505%0.05228%0.283CS..G310 helixtrans-61.9-24-178.5-69.6-173.3000114.4W269 V302 E307 L308 E309 A313 D314 E317 M318 Q321W269-L311 HydrophobicContact CE3-CD1 4.34Å; W269-L311 HydrophobicContact CZ3-CD1 4.12Å; V302-L311 HydrophobicContact CG1-CD1 3.8Å; V302-L311 HydrophobicContact CG1-CD2 4.02Å; V302-L311 HydrophobicContact CG1-CG 3.95Å; V302-L311 HydrophobicContact CG2-CD1 4.35Å; E307-L311 PolarHBondContact O-N 2.8Å; L308-L311 HydrophobicContact CD1-CD1 3.97Å; L308-L311 WeakPolarHBondContact O-CB 3.33Å; L308-L311 PolarHBondContact O-N 3.18Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-A313 PolarHBondContact O-N 3.49Å; L311-A313 VanDerWaalsContact O-N 3.15Å; L311-D314 CarbonylContact O-C 3.26Å; L311-D314 PolarHBondContact O-N 2.65Å; L311-E317 HydrophobicContact CD2-CB 4.21Å; L311-E317 HydrophobicContact CD2-CG 3.48Å; L311-E317 VanDerWaalsContact CD2-CG 3.48Å; L311-M318 HydrophobicContact CB-CG 3.85Å; L311-M318 HydrophobicContact CD1-CG 4.43Å; L311-M318 WeakPolarHBondContact O-CG 3.47Å; L311-Q321 HydrophobicContact CD1-CG 3.8Å; L311-Q321 HydrophobicContact CD2-CG 4.19Å
312I87.6Confident94.2Very high96 Ų9648.7 Ų48.749%0.49228%0.278SS..G310 helixtrans-62.5-25.9-175.5-160.3167.7000112.6L263 L266 E309 G310 D314L263-I312 HydrophobicContact CD2-CD1 3.96Å; L266-I312 HydrophobicContact CD2-CB 4.41Å; L266-I312 HydrophobicContact CD2-CD1 4.19Å; L266-I312 HydrophobicContact CD2-CG1 4.48Å; E309-I312 WeakPolarHBondContact O-CG2 3.36Å; E309-I312 PolarHBondContact O-N 3.26Å; G310-I312 PolarHBondContact O-N 3.39Å; I312-D314 VanDerWaalsContact C-N 3.34Å
313A91Very high94.3Very high90 Ų9048.2 Ų48.274%0.74428%0.275SS*.G310 helixtrans-80.4-14.6177.800000113.1G310 L311G310-A313 PolarHBondContact O-N 3.06Å; L311-A313 PolarHBondContact O-N 3.49Å; L311-A313 VanDerWaalsContact O-N 3.15Å
314D95.1Very high94.6Very high75 Ų7547.3 Ų47.340%0.40127%0.269SS..  trans-128.487.7-177-166-23.5000112L311 I312 D316 E317 M318L311-D314 CarbonylContact O-C 3.26Å; L311-D314 PolarHBondContact O-N 2.65Å; I312-D314 VanDerWaalsContact C-N 3.34Å; D314-D316 PolarHBondContact O-N 3.19Å; D314-D316 VanDerWaalsContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.33Å; D314-D316 WeakPolarHBondContact OD1-CB 3.31Å; D314-D316 PolarHBondContact OD1-N 2.81Å; D314-E317 HydrophobicContact CB-CB 3.88Å; D314-E317 PolarHBondContact O-N 3.39Å; D314-E317 PolarHBondContact OD1-N 3.12Å; D314-M318 WeakPolarHBondContact O-CG 3.44Å; D314-M318 PolarHBondContact O-N 2.94Å; D314-M318 VanDerWaalsContact O-N 3.12Å
315P94.4Very high94.8Very high53 Ų5346 Ų4634%0.34426%0.26SS..Hα-helixtrans-58.8-23.9174.8-27.136.6000114.4L262 R319L262-P315 HydrophobicContact CD1-CB 3.75Å; L262-P315 HydrophobicContact CD1-CG 4.3Å; P315-R319 WeakPolarHBondContact O-CD 3.36Å; P315-R319 VanDerWaalsContact O-CG 3.23Å; P315-R319 WeakPolarHBondContact O-CG 3.24Å; P315-R319 PolarHBondContact O-N 2.86Å; P315-R319 PolarHBondContact O-NE 2.86Å; P315-R319 PolarHBondContact O-NH1 3.39Å
316D94.9Very high95.1Very high41 Ų4143.9 Ų43.922%0.21924%0.242CC..Hα-helixtrans-77.8-44.2-180-163.867.6000111.3D314 M318 R319 M320 Y348 R356D314-D316 PolarHBondContact O-N 3.19Å; D314-D316 VanDerWaalsContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.33Å; D314-D316 WeakPolarHBondContact OD1-CB 3.31Å; D314-D316 PolarHBondContact OD1-N 2.81Å; D316-M318 VanDerWaalsContact C-N 3.32Å; D316-M318 PolarHBondContact O-N 3.42Å; D316-R319 WeakPolarHBondContact O-CA 3.23Å; D316-R319 WeakPolarHBondContact O-CB 3.37Å; D316-R319 PolarHBondContact O-N 2.72Å; D316-R319 IonicContact OD1-NH1 2.81Å; D316-M320 PolarHBondContact O-N 3.44Å; D316-M320 VanDerWaalsContact O-N 3.13Å; D316-Y348 VanDerWaalsContact CG-OH 3.3Å; D316-Y348 PolarHBondContact OD1-OH 3.31Å; D316-Y348 PolarHBondContact OD2-OH 3.04Å; D316-R356 IonicContact OD1-NH1 3.09Å; D316-R356 IonicContact OD2-CZ 2.65Å; D316-R356 IonicContact OD2-NH1 3.19Å; D316-R356 PolarHBondContact OD2-NH1 2.95Å; D316-R356 IonicContact OD2-NH2 3.28Å; D316-R356 PolarHBondContact OD2-NH2 2.8Å
317E96.1Very high95.3Very high50 Ų5038.8 Ų38.823%0.23422%0.219CC..Hα-helixtrans-59.8-42.9172.6-175.355.6-147.800111L311 D314 R319 M320 Q321L311-E317 HydrophobicContact CD2-CB 4.21Å; L311-E317 HydrophobicContact CD2-CG 3.48Å; L311-E317 VanDerWaalsContact CD2-CG 3.48Å; D314-E317 HydrophobicContact CB-CB 3.88Å; D314-E317 PolarHBondContact O-N 3.39Å; D314-E317 PolarHBondContact OD1-N 3.12Å; E317-R319 PolarHBondContact O-N 3.1Å; E317-R319 VanDerWaalsContact O-N 3.09Å; E317-M320 WeakPolarHBondContact O-CA 3.49Å; E317-M320 WeakPolarHBondContact O-CB 3.28Å; E317-M320 PolarHBondContact O-N 3.02Å; E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.22Å; E317-Q321 PolarHBondContact OE1-NE2 2.79Å
318M97.2Very high95.4Very high3 Ų337 Ų372%0.01521%0.208CC..Hα-helixtrans-54.4-32.7173.4-69.8-172.879.400113L262 L266 W269 L311 D314 D316 A322L262-M318 HydrophobicContact CB-CE 3.85Å; L262-M318 HydrophobicContact CB-SD 3.93Å; L262-M318 HydrophobicContact CD1-SD 4.13Å; L262-M318 HydrophobicContact CD2-CB 4.27Å; L262-M318 HydrophobicContact CD2-CE 4.23Å; L262-M318 HydrophobicContact CD2-SD 4.18Å; L262-M318 HydrophobicContact CG-SD 4.3Å; L262-M318 WeakPolarHBondContact O-CE 3.43Å; L266-M318 HydrophobicContact CB-CE 4.24Å; W269-M318 HydrophobicContact CE3-CE 4.35Å; W269-M318 WeakPolarHBondContact CH2-O 3.36Å; W269-M318 HydrophobicContact CZ3-CB 4.37Å; W269-M318 HydrophobicContact CZ3-CE 3.71Å; W269-M318 HydrophobicContact CZ3-CG 4.39Å; L311-M318 HydrophobicContact CB-CG 3.85Å; L311-M318 HydrophobicContact CD1-CG 4.43Å; L311-M318 WeakPolarHBondContact O-CG 3.47Å; D314-M318 WeakPolarHBondContact O-CG 3.44Å; D314-M318 PolarHBondContact O-N 2.94Å; D314-M318 VanDerWaalsContact O-N 3.12Å; D316-M318 VanDerWaalsContact C-N 3.32Å; D316-M318 PolarHBondContact O-N 3.42Å; M318-A322 PolarHBondContact O-N 3.24Å
319R96.7Very high95.5Very high76 Ų7638.2 Ų38.229%0.28721%0.214SC..Hα-helixtrans-76.2-34.6177.3-63156-179.3140.57.5111.8V256 P315 D316 E317 Q321 A322 L323V256-R319 HydrophobicContact CG1-CB 4.35Å; V256-R319 HydrophobicContact CG1-CG 3.77Å; P315-R319 WeakPolarHBondContact O-CD 3.36Å; P315-R319 VanDerWaalsContact O-CG 3.23Å; P315-R319 WeakPolarHBondContact O-CG 3.24Å; P315-R319 PolarHBondContact O-N 2.86Å; P315-R319 PolarHBondContact O-NE 2.86Å; P315-R319 PolarHBondContact O-NH1 3.39Å; D316-R319 WeakPolarHBondContact O-CA 3.23Å; D316-R319 WeakPolarHBondContact O-CB 3.37Å; D316-R319 PolarHBondContact O-N 2.72Å; D316-R319 IonicContact OD1-NH1 2.81Å; E317-R319 PolarHBondContact O-N 3.1Å; E317-R319 VanDerWaalsContact O-N 3.09Å; R319-Q321 VanDerWaalsContact C-N 3.35Å; R319-A322 PolarHBondContact O-N 3.27Å; R319-L323 PolarHBondContact O-N 3.25Å
320M97.5Very high95.8Very high0 Ų034.1 Ų34.10%020%0.195CC..Hα-helixtrans-66.5-39.5172.1-62.6-55.795.600110.9A299 D316 E317 A322 L323 L324 R344 Y348A299-M320 HydrophobicContact CB-CB 3.75Å; A299-M320 HydrophobicContact CB-CG 4.3Å; D316-M320 PolarHBondContact O-N 3.44Å; D316-M320 VanDerWaalsContact O-N 3.13Å; E317-M320 WeakPolarHBondContact O-CA 3.49Å; E317-M320 WeakPolarHBondContact O-CB 3.28Å; E317-M320 PolarHBondContact O-N 3.02Å; M320-A322 VanDerWaalsContact C-N 3.29Å; M320-A322 PolarHBondContact O-N 3.39Å; M320-L323 HydrophobicContact CE-CD1 4.09Å; M320-L323 PolarHBondContact O-N 3.46Å; M320-L323 VanDerWaalsContact O-N 3.12Å; M320-L324 WeakPolarHBondContact O-CG 3.46Å; M320-L324 PolarHBondContact O-N 2.93Å; M320-R344 HydrophobicContact CE-CG 3.8Å; M320-Y348 HydrophobicContact CE-CE2 4.26Å; M320-Y348 WeakPolarHBondContact CE-OH 3.34Å
321Q97.6Very high95.8Very high1 Ų132.4 Ų32.41%0.00518%0.178CC..Hα-helixtrans-55.9-43.7172.4-63.5-63.2-49.400111.8W269 K300 E301 L311 E317 R319 L323 L324 I325W269-Q321 HydrophobicContact CH2-CB 3.89Å; W269-Q321 HydrophobicContact CZ2-CB 4.4Å; W269-Q321 HydrophobicContact CZ3-CB 4.31Å; K300-Q321 PolarHBondContact O-NE2 3.22Å; E301-Q321 VanDerWaalsContact CA-OE1 3.26Å; L311-Q321 HydrophobicContact CD1-CG 3.8Å; L311-Q321 HydrophobicContact CD2-CG 4.19Å; E317-Q321 WeakPolarHBondContact O-CG 3.48Å; E317-Q321 PolarHBondContact O-N 3.22Å; E317-Q321 PolarHBondContact OE1-NE2 2.79Å; R319-Q321 VanDerWaalsContact C-N 3.35Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.42Å; Q321-L324 PolarHBondContact O-N 3.43Å; Q321-I325 VanDerWaalsContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CB 3.45Å; Q321-I325 WeakPolarHBondContact O-CD1 3.44Å; Q321-I325 WeakPolarHBondContact O-CG1 3.24Å; Q321-I325 PolarHBondContact O-N 2.71Å
322A98.1Very high95.8Very high0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-60.5-39.8177.400000112.8A253 V256 M318 R319 M320 R326A253-A322 HydrophobicContact CB-CB 3.78Å; V256-A322 HydrophobicContact CB-CB 3.98Å; V256-A322 HydrophobicContact CG1-CB 4.08Å; V256-A322 HydrophobicContact CG2-CB 4.27Å; M318-A322 PolarHBondContact O-N 3.24Å; R319-A322 PolarHBondContact O-N 3.27Å; M320-A322 VanDerWaalsContact C-N 3.29Å; M320-A322 PolarHBondContact O-N 3.39Å; A322-R326 VanDerWaalsContact O-CB 3.26Å; A322-R326 WeakPolarHBondContact O-CB 3.44Å; A322-R326 PolarHBondContact O-N 2.89Å
323L98Very high96Very high2 Ų232.6 Ų32.61%0.0119%0.187CC..Hα-helixtrans-68.9-47.7176.8-63.1-174.4000112Y296 R319 M320 Q321 I325 R326 E327 I341 R344 L360Y296-L323 HydrophobicContact CD1-CB 4.46Å; Y296-L323 HydrophobicContact CD1-CD1 3.99Å; Y296-L323 HydrophobicContact CE1-CB 4Å; Y296-L323 HydrophobicContact CE1-CD1 3.69Å; Y296-L323 HydrophobicContact CE1-CG 4.5Å; R319-L323 PolarHBondContact O-N 3.25Å; M320-L323 HydrophobicContact CE-CD1 4.09Å; M320-L323 PolarHBondContact O-N 3.46Å; M320-L323 VanDerWaalsContact O-N 3.12Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.42Å; L323-I325 PolarHBondContact O-N 2.93Å; L323-R326 PolarHBondContact O-N 3.41Å; L323-E327 WeakPolarHBondContact O-CB 3.24Å; L323-E327 PolarHBondContact O-N 3.49Å; L323-I341 HydrophobicContact CD2-CG1 4.27Å; L323-R344 HydrophobicContact CD1-CB 4.02Å; L323-R344 HydrophobicContact CD1-CG 3.98Å; L323-R344 HydrophobicContact CD2-CB 4.49Å; L323-L360 HydrophobicContact CD1-CD2 4.07Å
324L97.4Very high96.2Very high25 Ų2529.1 Ų29.113%0.13116%0.155CC..Hα-helixtrans-58.1-48.2178.3-70.7166.5000111.8Y296 A299 E301 M320 Q321 R326 E327 R328Y296-L324 HydrophobicContact CD2-CD2 3.61Å; Y296-L324 HydrophobicContact CD2-CG 4.25Å; Y296-L324 HydrophobicContact CE2-CD2 4.09Å; A299-L324 HydrophobicContact CB-CD1 3.9Å; E301-L324 HydrophobicContact CG-CB 3.6Å; E301-L324 HydrophobicContact CG-CD1 4.21Å; E301-L324 HydrophobicContact CG-CG 4.49Å; M320-L324 WeakPolarHBondContact O-CG 3.46Å; M320-L324 PolarHBondContact O-N 2.93Å; Q321-L324 PolarHBondContact O-N 3.43Å; L324-R326 PolarHBondContact O-N 3.14Å; L324-E327 PolarHBondContact O-N 2.88Å; L324-R328 WeakPolarHBondContact O-CB 3.4Å; L324-R328 PolarHBondContact O-N 3.39Å
325I97.8Very high96.1Very high3 Ų327 Ų272%0.01515%0.146CC..Hα-helixtrans-60-47.5177.3-72.4167.1000110.5E249 A253 W269 E301 Q321 L323 R328 I329E249-I325 HydrophobicContact CB-CG2 3.76Å; A253-I325 HydrophobicContact CB-CG2 4.29Å; W269-I325 HydrophobicContact CZ2-CD1 3.91Å; E301-I325 HydrophobicContact CG-CG1 4.36Å; E301-I325 VanDerWaalsContact OE2-CG1 3.31Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.39Å; Q321-I325 VanDerWaalsContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CB 3.45Å; Q321-I325 WeakPolarHBondContact O-CD1 3.44Å; Q321-I325 WeakPolarHBondContact O-CG1 3.24Å; Q321-I325 PolarHBondContact O-N 2.71Å; L323-I325 PolarHBondContact O-N 2.93Å; I325-R328 PolarHBondContact O-N 2.78Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 WeakPolarHBondContact O-CB 3.42Å; I325-I329 VanDerWaalsContact O-CG1 3.28Å; I325-I329 WeakPolarHBondContact O-CG1 3.49Å; I325-I329 PolarHBondContact O-N 2.96Å
326R97.8Very high96.2Very high2 Ų226.4 Ų26.41%0.00814%0.14CC..Hα-helixtrans-62.4-45.6-178.7-175.3170.5-76.4123.1-2.9110.9L250 D257 A322 L323 L324 I329 L330 Y340L250-R326 HydrophobicContact CD1-CB 4.23Å; L250-R326 HydrophobicContact CD1-CG 4.14Å; D257-R326 IonicContact OD2-CZ 2.71Å; D257-R326 IonicContact OD2-NH1 2.75Å; D257-R326 PolarHBondContact OD2-NH1 3.4Å; D257-R326 IonicContact OD2-NH2 2.85Å; A322-R326 VanDerWaalsContact O-CB 3.26Å; A322-R326 WeakPolarHBondContact O-CB 3.44Å; A322-R326 PolarHBondContact O-N 2.89Å; L323-R326 PolarHBondContact O-N 3.41Å; L324-R326 PolarHBondContact O-N 3.14Å; R326-I329 PolarHBondContact O-N 2.91Å; R326-L330 HydrophobicContact CG-CD1 3.49Å; R326-L330 VanDerWaalsContact CG-CD1 3.49Å; R326-L330 HydrophobicContact CG-CG 4.01Å; R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 WeakPolarHBondContact O-CG 3.42Å; R326-L330 PolarHBondContact O-N 2.96Å; R326-Y340 VanDerWaalsContact CZ-CE2 3.43Å
327E96.7Very high96.3Very high39 Ų3924.6 Ų24.618%0.18213%0.13CC..Hα-helixtrans-64.2-43.1178.1-174.117615400112.6Y296 L323 L324 I329 G331 T337 Y363 M367Y296-E327 VanDerWaalsContact CE2-OE2 3.25Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.45Å; Y296-E327 PolarHBondContact OH-OE2 2.98Å; L323-E327 WeakPolarHBondContact O-CB 3.24Å; L323-E327 PolarHBondContact O-N 3.49Å; L324-E327 PolarHBondContact O-N 2.88Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.04Å; E327-G331 WeakPolarHBondContact O-CA 3.15Å; E327-G331 PolarHBondContact O-N 3.31Å; E327-T337 HydrophobicContact CB-CG2 3.82Å; E327-T337 HydrophobicContact CG-CG2 3.92Å; E327-Y363 PolarHBondContact OE1-OH 3.48Å; E327-Y363 PolarHBondContact OE2-OH 3.42Å; E327-M367 HydrophobicContact CG-CE 4.11Å
328R96.2Very high96.3Very high61 Ų6122.5 Ų22.523%0.2312%0.121CC..Hα-helixtrans-61.6-42.1176.5174.8179.251.680.50.1112.3N246 E249 P287 E301 L324 I325N246-R328 PolarHBondContact OD1-NH1 3.42Å; N246-R328 VanDerWaalsContact OD1-NH1 3.13Å; E249-R328 IonicContact OE1-NH2 2.74Å; E249-R328 IonicContact OE2-CZ 2.79Å; E249-R328 IonicContact OE2-NH1 3.47Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.74Å; E249-R328 PolarHBondContact OE2-NH2 3.4Å; P287-R328 HydrophobicContact CG-CG 4.19Å; E301-R328 WeakPolarHBondContact OE1-CD 3.38Å; E301-R328 IonicContact OE1-CZ 2.83Å; E301-R328 IonicContact OE1-NE 3.88Å; E301-R328 PolarHBondContact OE1-NE 3.14Å; E301-R328 IonicContact OE1-NH2 3.55Å; E301-R328 IonicContact OE2-CZ 3.26Å; E301-R328 IonicContact OE2-NE 3.8Å; E301-R328 PolarHBondContact OE2-NE 3.36Å; E301-R328 IonicContact OE2-NH2 3.7Å; E301-R328 PolarHBondContact OE2-NH2 2.89Å; L324-R328 WeakPolarHBondContact O-CB 3.4Å; L324-R328 PolarHBondContact O-N 3.39Å; I325-R328 PolarHBondContact O-N 2.78Å
329I97.2Very high96.3Very high26 Ų2628.2 Ų28.213%0.13314%0.143CC..Hα-helixtrans-83.9-45.6-171.2-65.5173000111.6L219 N246 E249 L250 I325 R326 E327L219-I329 HydrophobicContact CD1-CG2 4.35Å; L219-I329 HydrophobicContact CD2-CG2 4.04Å; N246-I329 HydrophobicContact CB-CD1 3.88Å; N246-I329 HydrophobicContact CB-CG1 4.15Å; N246-I329 HydrophobicContact CB-CG2 4.11Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.4Å; E249-I329 HydrophobicContact CB-CD1 3.99Å; L250-I329 HydrophobicContact CB-CD1 4.09Å; L250-I329 HydrophobicContact CD2-CG2 4.11Å; I325-I329 HydrophobicContact CG2-CD1 3.61Å; I325-I329 WeakPolarHBondContact O-CB 3.42Å; I325-I329 VanDerWaalsContact O-CG1 3.28Å; I325-I329 WeakPolarHBondContact O-CG1 3.49Å; I325-I329 PolarHBondContact O-N 2.96Å; R326-I329 PolarHBondContact O-N 2.91Å; E327-I329 VanDerWaalsContact C-N 3.34Å; E327-I329 PolarHBondContact O-N 3.04Å
330L97.2Very high96.3Very high12 Ų1225.6 Ų25.66%0.06313%0.133CC..Hα-helixtrans-87.1-25.6-177.3-58.2-170.4000112.6M215 V223 L250 R326 H334 D336 T337M215-L330 HydrophobicContact CE-CD2 3.88Å; M215-L330 HydrophobicContact SD-CD2 3.23Å; M215-L330 WeakPolarHBondContact SD-CD2 3.47Å; V223-L330 HydrophobicContact CG2-CD1 4.37Å; V223-L330 HydrophobicContact CG2-CD2 4.46Å; L250-L330 HydrophobicContact CD1-CD1 4.41Å; L250-L330 HydrophobicContact CD1-CG 4.29Å; L250-L330 HydrophobicContact CD2-CD2 3.73Å; L250-L330 HydrophobicContact CD2-CG 4.33Å; R326-L330 HydrophobicContact CG-CD1 3.49Å; R326-L330 VanDerWaalsContact CG-CD1 3.49Å; R326-L330 HydrophobicContact CG-CG 4.01Å; R326-L330 VanDerWaalsContact O-CB 3.24Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 WeakPolarHBondContact O-CG 3.42Å; R326-L330 PolarHBondContact O-N 2.96Å; L330-H334 HydrophobicContact CB-CB 3.75Å; L330-H334 WeakPolarHBondContact O-CB 3.13Å; L330-D336 HydrophobicContact CD1-CB 3.94Å; L330-T337 WeakPolarHBondContact CB-OG1 3.21Å
331G94.8Very high96.4Very high16 Ų1625.6 Ų25.617%0.16513%0.133CC..  trans79170.9-174.200000113.6E327 S333 T337E327-G331 WeakPolarHBondContact O-CA 3.15Å; E327-G331 PolarHBondContact O-N 3.31Å; G331-S333 VanDerWaalsContact C-N 3.34Å; G331-S333 PolarHBondContact O-N 3.07Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 2.93Å
332P92.8Very high96.4Very high57 Ų5727.4 Ų27.437%0.3714%0.14SC..THydrogen-bonded Turntrans-74.8-20.3-175.129.5-36.3000114.1M367P332-M367 HydrophobicContact CB-CE 4.13Å; P332-M367 HydrophobicContact CB-CG 3.55Å; P332-M367 HydrophobicContact CB-SD 3.93Å; P332-M367 VanDerWaalsContact O-CG 3.25Å; P332-M367 WeakPolarHBondContact O-CG 3.24Å
333S91.3Very high96.4Very high53 Ų5330.2 Ų30.237%0.37115%0.151SC..THydrogen-bonded Turntrans-81.1-16.7179.557.30000113.4G331G331-S333 VanDerWaalsContact C-N 3.34Å; G331-S333 PolarHBondContact O-N 3.07Å
334H95.1Very high96.4Very high16 Ų1630.6 Ų30.67%0.07415%0.153CC..SBendtrans-75.6131-177.7-167.4-72.1000111.2L330 D336 T337L330-H334 HydrophobicContact CB-CB 3.75Å; L330-H334 WeakPolarHBondContact O-CB 3.13Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 IonicContact CE1-OD2 2.69Å; H334-D336 WeakPolarHBondContact ND1-CB 3.24Å; H334-D336 PolarHBondContact ND1-N 3.12Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 3.22Å; H334-T337 WeakPolarHBondContact O-CB 3.49Å; H334-T337 PolarHBondContact O-N 3.21Å; H334-T337 VanDerWaalsContact O-N 3.1Å
335P93.5Very high96.4Very high31 Ų3129.4 Ų29.420%0.20115%0.146CC..Hα-helixtrans-52.7-45-178.1-29.736000114Y213 T337 S338 Y339 M378Y213-P335 HydrophobicContact CE1-CG 4.18Å; P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.85Å; P335-S338 PolarHBondContact O-N 3.41Å; P335-S338 PolarHBondContact O-OG 3.07Å; P335-S338 VanDerWaalsContact O-OG 3.07Å; P335-Y339 WeakPolarHBondContact O-CB 3.11Å; P335-Y339 PolarHBondContact O-N 3.27Å; P335-M378 HydrophobicContact CB-SD 3.94Å; P335-M378 HydrophobicContact CG-CE 4.34Å; P335-M378 HydrophobicContact CG-SD 4.26Å
336D95.5Very high96.3Very high41 Ų4130.8 Ų30.822%0.21916%0.158CC..Hα-helixtrans-60.8-31.4-179.2-72.97.3000114.1V223 L330 H334 Y339 Y340V223-D336 WeakPolarHBondContact CG1-OD2 3.43Å; L330-D336 HydrophobicContact CD1-CB 3.94Å; H334-D336 VanDerWaalsContact C-N 3.32Å; H334-D336 IonicContact CE1-OD2 2.69Å; H334-D336 WeakPolarHBondContact ND1-CB 3.24Å; H334-D336 PolarHBondContact ND1-N 3.12Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 3.22Å; D336-Y339 PolarHBondContact O-N 2.98Å; D336-Y340 HydrophobicContact CB-CD2 4.19Å; D336-Y340 HydrophobicContact CB-CE2 4.41Å; D336-Y340 WeakPolarHBondContact O-CB 3.3Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.35Å; D336-Y340 PolarHBondContact O-N 3.12Å
337T97.1Very high96.2Very high2 Ų233 Ų331%0.01217%0.171CC..Hα-helixtrans-59.4-58.1176.7-550000109.4E327 L330 G331 H334 P335 Y339 Y340 I341 M367E327-T337 HydrophobicContact CB-CG2 3.82Å; E327-T337 HydrophobicContact CG-CG2 3.92Å; L330-T337 WeakPolarHBondContact CB-OG1 3.21Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 2.93Å; H334-T337 WeakPolarHBondContact O-CB 3.49Å; H334-T337 PolarHBondContact O-N 3.21Å; H334-T337 VanDerWaalsContact O-N 3.1Å; P335-T337 VanDerWaalsContact C-N 3.27Å; P335-T337 PolarHBondContact O-N 2.85Å; T337-Y339 VanDerWaalsContact C-N 3.33Å; T337-Y339 PolarHBondContact O-N 3.32Å; T337-Y340 PolarHBondContact O-N 2.7Å; T337-I341 HydrophobicContact CG2-CD1 4.15Å; T337-I341 WeakPolarHBondContact O-CD1 3.22Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.18Å; T337-M367 HydrophobicContact CG2-CE 3.94Å; T337-M367 HydrophobicContact CG2-SD 3.66Å
338S96.8Very high96.2Very high6 Ų631.7 Ų31.74%0.04217%0.165CC..Hα-helixtrans-64.7-35.9178.775.30000112.8P335 R342 Q368P335-S338 PolarHBondContact O-N 3.41Å; P335-S338 PolarHBondContact O-OG 3.07Å; P335-S338 VanDerWaalsContact O-OG 3.07Å; S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 WeakPolarHBondContact O-CG 3.41Å; S338-R342 PolarHBondContact O-N 3.28Å; S338-Q368 PolarHBondContact OG-NE2 3.14Å; S338-Q368 VanDerWaalsContact OG-NE2 3.09Å
339Y97.3Very high96.1Very high123 Ų12329.5 Ų29.548%0.48216%0.16SC..Hα-helixtrans-61.7-48.2178.5172-94.9000111.8P335 D336 T337 R342 Y343P335-Y339 WeakPolarHBondContact O-CB 3.11Å; P335-Y339 PolarHBondContact O-N 3.27Å; D336-Y339 PolarHBondContact O-N 2.98Å; T337-Y339 VanDerWaalsContact C-N 3.33Å; T337-Y339 PolarHBondContact O-N 3.32Å; Y339-R342 CarbonylContact O-C 3.32Å; Y339-R342 WeakPolarHBondContact O-CB 3.47Å; Y339-R342 PolarHBondContact O-N 3.33Å; Y339-Y343 WeakPolarHBondContact O-CB 3.38Å; Y339-Y343 PolarHBondContact O-N 2.79Å
340Y97.8Very high95.9Very high21 Ų2135.1 Ų35.18%0.08219%0.19CC..Hα-helixtrans-74.8-30.3-176.6-82.4-76.5000113.2D257 R326 D336 T337 R342 Y343 R344D257-Y340 HydrophobicContact CB-CD1 3.58Å; D257-Y340 HydrophobicContact CB-CE1 3.37Å; R326-Y340 VanDerWaalsContact CZ-CE2 3.43Å; D336-Y340 HydrophobicContact CB-CD2 4.19Å; D336-Y340 HydrophobicContact CB-CE2 4.41Å; D336-Y340 WeakPolarHBondContact O-CB 3.3Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.35Å; D336-Y340 PolarHBondContact O-N 3.12Å; T337-Y340 PolarHBondContact O-N 2.7Å; Y340-R342 VanDerWaalsContact C-N 3.3Å; Y340-Y343 HydrophobicContact CD1-CD1 4.13Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.23Å
341I98.3Very high95.6Very high1 Ų138.8 Ų38.81%0.00522%0.217CC..Hα-helixtrans-59.4-46.1167.8-63163.7000109.6Y296 L323 T337 R344 G345 L360 Y363 A364 M367Y296-I341 HydrophobicContact CE1-CG1 4.18Å; Y296-I341 HydrophobicContact CE1-CG2 4.46Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.08Å; Y296-I341 VanDerWaalsContact OH-CG1 3.29Å; Y296-I341 WeakPolarHBondContact OH-CG1 3.06Å; L323-I341 HydrophobicContact CD2-CG1 4.27Å; T337-I341 HydrophobicContact CG2-CD1 4.15Å; T337-I341 WeakPolarHBondContact O-CD1 3.22Å; T337-I341 VanDerWaalsContact O-CG1 3.24Å; T337-I341 WeakPolarHBondContact O-CG1 3.41Å; T337-I341 PolarHBondContact O-N 3.18Å; I341-R344 PolarHBondContact O-N 3.05Å; I341-G345 PolarHBondContact O-N 2.98Å; I341-L360 HydrophobicContact CG2-CB 4.01Å; I341-L360 HydrophobicContact CG2-CD2 3.94Å; I341-L360 WeakPolarHBondContact CG2-O 3.21Å; I341-Y363 HydrophobicContact CD1-CD1 4.17Å; I341-Y363 HydrophobicContact CD1-CE1 4.24Å; I341-A364 HydrophobicContact CB-CB 4.11Å; I341-A364 HydrophobicContact CG2-CB 3.81Å; I341-M367 HydrophobicContact CD1-CE 3.75Å; I341-M367 HydrophobicContact CD1-SD 4.12Å
342R98.2Very high95.4Very high38 Ų3839.5 Ų39.514%0.14322%0.224CC..Hα-helixtrans-64.7-44.4176.4-73.6-177.964.6-143.8-0112.7S338 Y339 Y340 R344 G345 A346 W361 A364 S381 S382 S385S338-R342 WeakPolarHBondContact O-CB 3.5Å; S338-R342 WeakPolarHBondContact O-CG 3.41Å; S338-R342 PolarHBondContact O-N 3.28Å; Y339-R342 CarbonylContact O-C 3.32Å; Y339-R342 WeakPolarHBondContact O-CB 3.47Å; Y339-R342 PolarHBondContact O-N 3.33Å; Y340-R342 VanDerWaalsContact C-N 3.3Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.32Å; R342-G345 WeakPolarHBondContact O-CA 3.28Å; R342-G345 PolarHBondContact O-N 2.9Å; R342-G345 VanDerWaalsContact O-N 3.14Å; R342-A346 PolarHBondContact O-N 3.29Å; R342-W361 PolarHBondContact O-NE1 3.12Å; R342-A364 HydrophobicContact CG-CB 3.7Å; R342-S381 PolarHBondContact NH1-OG 2.86Å; R342-S382 VanDerWaalsContact CD-OG 3.31Å; R342-S382 WeakPolarHBondContact CD-OG 3.47Å; R342-S382 PolarHBondContact NE-OG 2.88Å; R342-S385 PolarHBondContact NH2-OG 3.14Å
343Y97.5Very high95.3Very high60 Ų6039.9 Ų39.924%0.23522%0.223CC..Hα-helixtrans-57.1-45.9175.8171.3-105.1000111D257 Y339 Y340 G345 A346 V347D257-Y343 HydrophobicContact CB-CE1 4.36Å; Y339-Y343 WeakPolarHBondContact O-CB 3.38Å; Y339-Y343 PolarHBondContact O-N 2.79Å; Y340-Y343 HydrophobicContact CD1-CD1 4.13Å; Y340-Y343 PolarHBondContact O-N 3.04Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.75Å; Y343-A346 WeakPolarHBondContact O-CB 3.25Å; Y343-A346 PolarHBondContact O-N 2.59Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; Y343-V347 HydrophobicContact CE1-CG2 4.15Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 WeakPolarHBondContact O-CG2 3.12Å; Y343-V347 PolarHBondContact O-N 2.72Å
344R97.7Very high95.4Very high10 Ų1037.8 Ų37.84%0.03821%0.207CC..Hα-helixtrans-60.6-42.4175.7-177.556.254.9-159.2-0.7111.9D257 M320 L323 Y340 I341 R342 A346 V347 Y348 L360D257-R344 IonicContact OD1-CZ 3.39Å; D257-R344 IonicContact OD1-NH2 3.63Å; D257-R344 PolarHBondContact OD1-NH2 2.96Å; M320-R344 HydrophobicContact CE-CG 3.8Å; L323-R344 HydrophobicContact CD1-CB 4.02Å; L323-R344 HydrophobicContact CD1-CG 3.98Å; L323-R344 HydrophobicContact CD2-CB 4.49Å; Y340-R344 WeakPolarHBondContact O-CB 3.44Å; Y340-R344 PolarHBondContact O-N 3.23Å; I341-R344 PolarHBondContact O-N 3.05Å; R342-R344 VanDerWaalsContact C-N 3.3Å; R342-R344 PolarHBondContact O-N 3.32Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.15Å; R344-V347 PolarHBondContact O-N 2.85Å; R344-Y348 HydrophobicContact CG-CD2 4.15Å; R344-Y348 HydrophobicContact CG-CE2 3.6Å; R344-Y348 VanDerWaalsContact O-CD2 3.24Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 2.93Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; R344-L360 HydrophobicContact CB-CD1 4.2Å; R344-L360 HydrophobicContact CG-CD1 3.77Å
345G97.6Very high95.3Very high0 Ų042.5 Ų42.50%023%0.228CC..Hα-helixtrans-57.9-45.4173.200000112.3I341 R342 Y343 V347 Y348 A349 C357I341-G345 PolarHBondContact O-N 2.98Å; R342-G345 WeakPolarHBondContact O-CA 3.28Å; R342-G345 PolarHBondContact O-N 2.9Å; R342-G345 VanDerWaalsContact O-N 3.14Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.75Å; G345-V347 VanDerWaalsContact C-N 3.34Å; G345-V347 PolarHBondContact O-N 2.95Å; G345-Y348 WeakPolarHBondContact O-CB 3.31Å; G345-Y348 PolarHBondContact O-N 2.73Å; G345-A349 PolarHBondContact O-N 2.91Å; G345-C357 VanDerWaalsContact C-SG 3.52Å; G345-C357 WeakPolarHBondContact O-CB 3.34Å; G345-C357 PolarHBondContact O-SG 2.89Å
346A97Very high95.3Very high32 Ų3243 Ų4326%0.26423%0.226SC..Hα-helixtrans-60.2-42.5176.900000111.9R342 Y343 R344 Y348 A349 D350 W361R342-A346 PolarHBondContact O-N 3.29Å; Y343-A346 WeakPolarHBondContact O-CB 3.25Å; Y343-A346 PolarHBondContact O-N 2.59Å; Y343-A346 VanDerWaalsContact O-N 3.14Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.15Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 3.28Å; A346-A349 WeakPolarHBondContact O-CB 3.5Å; A346-A349 PolarHBondContact O-N 3.47Å; A346-D350 PolarHBondContact O-N 2.88Å; A346-W361 HydrophobicContact CB-CZ2 4.14Å
347V95.6Very high95.4Very high47 Ų4741 Ų4129%0.28522%0.215SC..Hα-helixtrans-60-35.4174.8174.10000112Y343 R344 G345 S351Y343-V347 HydrophobicContact CE1-CG2 4.15Å; Y343-V347 HydrophobicContact CE2-CG2 4.22Å; Y343-V347 WeakPolarHBondContact O-CG2 3.12Å; Y343-V347 PolarHBondContact O-N 2.72Å; R344-V347 PolarHBondContact O-N 2.85Å; G345-V347 VanDerWaalsContact C-N 3.34Å; G345-V347 PolarHBondContact O-N 2.95Å; V347-S351 PolarHBondContact O-N 3.16Å
348Y95.6Very high95.3Very high13 Ų1341 Ų415%0.05122%0.215CC..Hα-helixtrans-71.9-35.1172.7-72.7-57.1000113D316 M320 R344 G345 A346 D350 S351 G352 N353 R356 L360D316-Y348 VanDerWaalsContact CG-OH 3.3Å; D316-Y348 PolarHBondContact OD1-OH 3.31Å; D316-Y348 PolarHBondContact OD2-OH 3.04Å; M320-Y348 HydrophobicContact CE-CE2 4.26Å; M320-Y348 WeakPolarHBondContact CE-OH 3.34Å; R344-Y348 HydrophobicContact CG-CD2 4.15Å; R344-Y348 HydrophobicContact CG-CE2 3.6Å; R344-Y348 VanDerWaalsContact O-CD2 3.24Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 2.93Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; G345-Y348 WeakPolarHBondContact O-CB 3.31Å; G345-Y348 PolarHBondContact O-N 2.73Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 3.28Å; Y348-D350 VanDerWaalsContact C-N 3.34Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.11Å; Y348-G352 PolarHBondContact O-N 3.49Å; Y348-N353 HydrophobicContact CD1-CB 4.37Å; Y348-N353 CarbonylContact O-C 3.44Å; Y348-N353 WeakPolarHBondContact O-CA 3.04Å; Y348-N353 PolarHBondContact O-N 3.38Å; Y348-R356 HydrophobicContact CD1-CG 4.44Å; Y348-R356 HydrophobicContact CD2-CB 4.04Å; Y348-R356 HydrophobicContact CD2-CG 3.56Å; Y348-R356 HydrophobicContact CE2-CG 3.68Å; Y348-R356 VanDerWaalsContact CE2-NE 3.31Å; Y348-R356 HydrophobicContact CG-CB 4.02Å; Y348-R356 HydrophobicContact CG-CG 3.98Å; Y348-R356 VanDerWaalsContact CZ-CD 3.41Å; Y348-R356 PolarHBondContact OH-NE 3.07Å; Y348-R356 PolarHBondContact OH-NH1 3.09Å; Y348-R356 PolarHBondContact OH-NH2 3.3Å; Y348-R356 VanDerWaalsContact OH-NH2 3.1Å; Y348-L360 HydrophobicContact CD2-CD1 3.62Å; Y348-L360 HydrophobicContact CE2-CD1 3.67Å
349A94Very high95.3Very high14 Ų1442.4 Ų42.412%0.11622%0.222CC..Hα-helixtrans-63.7-41.7173.600000111.4G345 A346 S351 G352 F354 C357 L389G345-A349 PolarHBondContact O-N 2.91Å; A346-A349 WeakPolarHBondContact O-CB 3.5Å; A346-A349 PolarHBondContact O-N 3.47Å; A349-S351 PolarHBondContact O-N 2.86Å; A349-G352 PolarHBondContact O-N 3.32Å; A349-F354 HydrophobicContact CB-CD1 4.17Å; A349-F354 HydrophobicContact CB-CE1 4.22Å; A349-C357 HydrophobicContact CB-CB 3.99Å; A349-L389 HydrophobicContact CB-CD1 4.13Å
350D92.4Very high95.4Very high144 Ų14436.5 Ų36.577%0.7720%0.199SC*.Hα-helixtrans-60.9-29.2177-68.8-17000112.6A346 Y348A346-D350 PolarHBondContact O-N 2.88Å; Y348-D350 VanDerWaalsContact C-N 3.34Å
351S91.5Very high95.4Very high89 Ų8936.6 Ų36.662%0.62220%0.199SC*.THydrogen-bonded Turntrans-90.85.6174.367.70000114.3V347 Y348 A349 N353V347-S351 PolarHBondContact O-N 3.16Å; Y348-S351 PolarHBondContact O-N 3.34Å; Y348-S351 PolarHBondContact O-OG 3.11Å; A349-S351 PolarHBondContact O-N 2.86Å; S351-N353 VanDerWaalsContact C-N 3.33Å
352G90.1Very high95.4Very high32 Ų3238.6 Ų38.633%0.3321%0.208SC..THydrogen-bonded Turntrans822.3-179.700000115Y348 A349 F354Y348-G352 PolarHBondContact O-N 3.49Å; A349-G352 PolarHBondContact O-N 3.32Å; G352-F354 VanDerWaalsContact C-N 3.27Å; G352-F354 WeakPolarHBondContact O-CD2 3.25Å; G352-F354 PolarHBondContact O-N 2.86Å; G352-F354 VanDerWaalsContact O-N 3.07Å
353N91.9Very high95.4Very high65 Ų6539.1 Ų39.135%0.34821%0.21SC..  trans-85.867.1174.3-167.9-15.7000111.4Y348 S351 K355 R356 C357Y348-N353 HydrophobicContact CD1-CB 4.37Å; Y348-N353 CarbonylContact O-C 3.44Å; Y348-N353 WeakPolarHBondContact O-CA 3.04Å; Y348-N353 PolarHBondContact O-N 3.38Å; S351-N353 VanDerWaalsContact C-N 3.33Å; N353-K355 VanDerWaalsContact C-N 3.27Å; N353-K355 PolarHBondContact O-N 3.05Å; N353-R356 PolarHBondContact O-N 2.59Å; N353-R356 VanDerWaalsContact OD1-CB 3.3Å; N353-R356 WeakPolarHBondContact OD1-CB 3.29Å; N353-R356 PolarHBondContact OD1-N 3.48Å; N353-R356 VanDerWaalsContact OD1-N 3.14Å; N353-C357 PolarHBondContact O-N 3.45Å
354F93.2Very high95.4Very high8 Ų836.3 Ų36.34%0.03520%0.199CC..Hα-helixtrans-62.5-32.4-179.1-60.9-77.6000113A349 G352 R356 C357 I358 L389 F392 M393 L402 T404A349-F354 HydrophobicContact CB-CD1 4.17Å; A349-F354 HydrophobicContact CB-CE1 4.22Å; G352-F354 VanDerWaalsContact C-N 3.27Å; G352-F354 WeakPolarHBondContact O-CD2 3.25Å; G352-F354 PolarHBondContact O-N 2.86Å; G352-F354 VanDerWaalsContact O-N 3.07Å; F354-R356 PolarHBondContact O-N 3.41Å; F354-C357 WeakPolarHBondContact O-CB 3.37Å; F354-C357 PolarHBondContact O-N 2.89Å; F354-I358 WeakPolarHBondContact O-CB 3.33Å; F354-I358 VanDerWaalsContact O-CG1 3.25Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.29Å; F354-L389 HydrophobicContact CD1-CD1 3.86Å; F354-L389 HydrophobicContact CE1-CD1 4.03Å; F354-F392 HydrophobicContact CE1-CD1 4.28Å; F354-F392 HydrophobicContact CE1-CE1 4.16Å; F354-F392 HydrophobicContact CZ-CD1 4.5Å; F354-F392 HydrophobicContact CZ-CE1 4Å; F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.02Å; F354-M393 HydrophobicContact CD1-CE 4.4Å; F354-M393 HydrophobicContact CD1-CG 3.93Å; F354-M393 HydrophobicContact CD1-SD 3.9Å; F354-M393 HydrophobicContact CD2-CE 4.43Å; F354-M393 HydrophobicContact CE1-CG 4.13Å; F354-M393 HydrophobicContact CG-CE 3.91Å; F354-M393 HydrophobicContact CG-CG 4.29Å; F354-M393 HydrophobicContact CG-SD 4.02Å; F354-L402 HydrophobicContact CE2-CD1 4.15Å; F354-L402 HydrophobicContact CE2-CD2 3.74Å; F354-L402 HydrophobicContact CZ-CD1 4.24Å; F354-L402 HydrophobicContact CZ-CD2 4.1Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.49Å
355K93.1Very high95.4Very high116 Ų11635.8 Ų35.850%0.50420%0.197SC..Hα-helixtrans-61.6-45.5179.1-17659.6174-177.80111.3N353 I358 N359N353-K355 VanDerWaalsContact C-N 3.27Å; N353-K355 PolarHBondContact O-N 3.05Å; K355-I358 PolarHBondContact O-N 3.43Å; K355-N359 PolarHBondContact O-N 3.18Å
356R94Very high95.4Very high40 Ų4038.7 Ų38.715%0.15121%0.213CC..Hα-helixtrans-68.5-38.4177.7-163.4167.3-173.8-180-0.5112.1D316 Y348 N353 F354 I358 N359 L360D316-R356 IonicContact OD1-NH1 3.09Å; D316-R356 IonicContact OD2-CZ 2.65Å; D316-R356 IonicContact OD2-NH1 3.19Å; D316-R356 PolarHBondContact OD2-NH1 2.95Å; D316-R356 IonicContact OD2-NH2 3.28Å; D316-R356 PolarHBondContact OD2-NH2 2.8Å; Y348-R356 HydrophobicContact CD1-CG 4.44Å; Y348-R356 HydrophobicContact CD2-CB 4.04Å; Y348-R356 HydrophobicContact CD2-CG 3.56Å; Y348-R356 HydrophobicContact CE2-CG 3.68Å; Y348-R356 VanDerWaalsContact CE2-NE 3.31Å; Y348-R356 HydrophobicContact CG-CB 4.02Å; Y348-R356 HydrophobicContact CG-CG 3.98Å; Y348-R356 VanDerWaalsContact CZ-CD 3.41Å; Y348-R356 PolarHBondContact OH-NE 3.07Å; Y348-R356 PolarHBondContact OH-NH1 3.09Å; Y348-R356 PolarHBondContact OH-NH2 3.3Å; Y348-R356 VanDerWaalsContact OH-NH2 3.1Å; N353-R356 PolarHBondContact O-N 2.59Å; N353-R356 VanDerWaalsContact OD1-CB 3.3Å; N353-R356 WeakPolarHBondContact OD1-CB 3.29Å; N353-R356 PolarHBondContact OD1-N 3.48Å; N353-R356 VanDerWaalsContact OD1-N 3.14Å; F354-R356 PolarHBondContact O-N 3.41Å; R356-I358 PolarHBondContact O-N 3.5Å; R356-N359 PolarHBondContact O-N 3.29Å; R356-L360 HydrophobicContact CG-CD1 4.31Å; R356-L360 PolarHBondContact O-N 2.97Å
357C96.6Very high95.4Very high0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-54.1-53.1170.4178.70000111.7G345 A349 N353 F354 N359 L360 W361G345-C357 VanDerWaalsContact C-SG 3.52Å; G345-C357 WeakPolarHBondContact O-CB 3.34Å; G345-C357 PolarHBondContact O-SG 2.89Å; A349-C357 HydrophobicContact CB-CB 3.99Å; N353-C357 PolarHBondContact O-N 3.45Å; F354-C357 WeakPolarHBondContact O-CB 3.37Å; F354-C357 PolarHBondContact O-N 2.89Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 2.9Å; C357-L360 PolarHBondContact O-N 2.9Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.35Å
358I96.3Very high95.5Very high3 Ų335.7 Ų35.72%0.01519%0.19CC..Hα-helixtrans-60.3-43.3-178.6-70.3164.1000111F354 K355 R356 K362 F386 L389 F390 M393F354-I358 WeakPolarHBondContact O-CB 3.33Å; F354-I358 VanDerWaalsContact O-CG1 3.25Å; F354-I358 WeakPolarHBondContact O-CG1 3.41Å; F354-I358 PolarHBondContact O-N 3.29Å; K355-I358 PolarHBondContact O-N 3.43Å; R356-I358 PolarHBondContact O-N 3.5Å; I358-K362 HydrophobicContact CG2-CD 3.78Å; I358-K362 HydrophobicContact CG2-CG 4.27Å; I358-K362 VanDerWaalsContact O-CB 3.26Å; I358-K362 WeakPolarHBondContact O-CB 3.48Å; I358-K362 VanDerWaalsContact O-CG 3.26Å; I358-K362 WeakPolarHBondContact O-CG 3.29Å; I358-K362 PolarHBondContact O-N 3.48Å; I358-F386 HydrophobicContact CG2-CE1 4.42Å; I358-L389 HydrophobicContact CG1-CD2 4.13Å; I358-F390 HydrophobicContact CD1-CE1 3.94Å; I358-F390 HydrophobicContact CG1-CE1 4.15Å; I358-M393 HydrophobicContact CD1-SD 4.47Å
359N96.6Very high95.6Very high34 Ų3435.7 Ų35.718%0.18219%0.19CC..Hα-helixtrans-62.1-47.5179-71.9-8.7000112M294 K355 R356 C357 K362 Y363M294-N359 HydrophobicContact SD-CB 4.42Å; K355-N359 PolarHBondContact O-N 3.18Å; R356-N359 PolarHBondContact O-N 3.29Å; C357-N359 VanDerWaalsContact C-N 3.34Å; C357-N359 PolarHBondContact O-N 2.9Å; N359-K362 PolarHBondContact O-N 2.88Å; N359-Y363 PolarHBondContact O-N 3.49Å; N359-Y363 VanDerWaalsContact O-N 3.07Å
360L98.2Very high95.6Very high0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-64.4-45.8177.8-75.3166000112.1A295 Y296 L323 I341 R344 Y348 R356 C357 K362 Y363 A364A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 WeakPolarHBondContact O-CD2 3.37Å; Y296-L360 HydrophobicContact CD1-CD2 3.69Å; Y296-L360 HydrophobicContact CE1-CD2 3.78Å; L323-L360 HydrophobicContact CD1-CD2 4.07Å; I341-L360 HydrophobicContact CG2-CB 4.01Å; I341-L360 HydrophobicContact CG2-CD2 3.94Å; I341-L360 WeakPolarHBondContact CG2-O 3.21Å; R344-L360 HydrophobicContact CB-CD1 4.2Å; R344-L360 HydrophobicContact CG-CD1 3.77Å; Y348-L360 HydrophobicContact CD2-CD1 3.62Å; Y348-L360 HydrophobicContact CE2-CD1 3.67Å; R356-L360 HydrophobicContact CG-CD1 4.31Å; R356-L360 PolarHBondContact O-N 2.97Å; C357-L360 PolarHBondContact O-N 2.9Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.5Å; L360-Y363 PolarHBondContact O-N 2.93Å; L360-A364 PolarHBondContact O-N 3.3Å
361W98.4Very high95.7Very high23 Ų2336.1 Ų36.19%0.08720%0.198CC..Hα-helixtrans-65.5-35.6178.5-73.711.4000112.1R342 A346 C357 Y363 A364 L365 S385 F386 L389R342-W361 PolarHBondContact O-NE1 3.12Å; A346-W361 HydrophobicContact CB-CZ2 4.14Å; C357-W361 WeakPolarHBondContact O-CB 3.47Å; C357-W361 PolarHBondContact O-N 3.35Å; W361-Y363 VanDerWaalsContact C-N 3.33Å; W361-A364 PolarHBondContact O-N 3.34Å; W361-L365 VanDerWaalsContact O-CB 3.3Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.31Å; W361-S385 WeakPolarHBondContact CZ3-O 3.48Å; W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.79Å; W361-F386 HydrophobicContact CB-CE2 3.72Å; W361-F386 HydrophobicContact CB-CZ 3.22Å; W361-F386 AromaticContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD2 4.47Å; W361-F386 HydrophobicContact CE3-CE1 4.06Å; W361-F386 HydrophobicContact CE3-CG 4.22Å; W361-F386 HydrophobicContact CE3-CZ 4.34Å; W361-F386 HydrophobicContact CG-CZ 4.37Å; W361-L389 HydrophobicContact CE3-CD2 4.07Å; W361-L389 HydrophobicContact CH2-CB 4.33Å; W361-L389 HydrophobicContact CH2-CD2 4.26Å; W361-L389 HydrophobicContact CZ3-CB 3.82Å; W361-L389 HydrophobicContact CZ3-CD2 3.68Å; W361-L389 HydrophobicContact CZ3-CG 4.29Å
362K98Very high95.8Very high43 Ų4333.3 Ų33.319%0.18718%0.176CC..Hα-helixtrans-64.4-43.8176.9-83.3176.6174.9173.30109.5I358 N359 L360 L365 D366 F386 D410 I414I358-K362 HydrophobicContact CG2-CD 3.78Å; I358-K362 HydrophobicContact CG2-CG 4.27Å; I358-K362 VanDerWaalsContact O-CB 3.26Å; I358-K362 WeakPolarHBondContact O-CB 3.48Å; I358-K362 VanDerWaalsContact O-CG 3.26Å; I358-K362 WeakPolarHBondContact O-CG 3.29Å; I358-K362 PolarHBondContact O-N 3.48Å; N359-K362 PolarHBondContact O-N 2.88Å; L360-K362 VanDerWaalsContact C-N 3.31Å; L360-K362 PolarHBondContact O-N 3.5Å; K362-L365 PolarHBondContact O-N 3.19Å; K362-D366 PolarHBondContact O-N 2.89Å; K362-F386 HydrophobicContact CB-CZ 4.46Å; K362-F386 HydrophobicContact CG-CE1 4.27Å; K362-F386 HydrophobicContact CG-CZ 3.83Å; K362-D410 IonicContact NZ-OD1 3.86Å; K362-D410 PolarHBondContact NZ-OD1 3.36Å; K362-D410 VanDerWaalsContact NZ-OD1 3.09Å; K362-I414 HydrophobicContact CG-CD1 3.91Å
363Y97.9Very high95.9Very high49 Ų4937.4 Ų37.419%0.19219%0.19CC..Hα-helixtrans-63-45175.8-174.9-115.6000112.9I293 A295 Y296 E327 I341 N359 L360 W361 L365 D366 M367I293-Y363 HydrophobicContact CD1-CE2 4.26Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.98Å; I293-Y363 HydrophobicContact CG2-CE1 3.93Å; I293-Y363 HydrophobicContact CG2-CE2 3.71Å; I293-Y363 HydrophobicContact CG2-CG 4.2Å; A295-Y363 HydrophobicContact CB-CD1 4.29Å; A295-Y363 HydrophobicContact CB-CG 3.94Å; Y296-Y363 HydrophobicContact CE1-CD1 4.24Å; Y296-Y363 HydrophobicContact CE1-CE1 4.34Å; Y296-Y363 AromaticContact CE2-CE1 3.97Å; Y296-Y363 HydrophobicContact CE2-CE1 3.97Å; Y296-Y363 AromaticContact CZ-CD1 3.99Å; Y296-Y363 AromaticContact CZ-CE1 3.65Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.38Å; E327-Y363 PolarHBondContact OE1-OH 3.48Å; E327-Y363 PolarHBondContact OE2-OH 3.42Å; I341-Y363 HydrophobicContact CD1-CD1 4.17Å; I341-Y363 HydrophobicContact CD1-CE1 4.24Å; N359-Y363 PolarHBondContact O-N 3.49Å; N359-Y363 VanDerWaalsContact O-N 3.07Å; L360-Y363 PolarHBondContact O-N 2.93Å; W361-Y363 VanDerWaalsContact C-N 3.33Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.06Å; Y363-D366 PolarHBondContact O-N 3.19Å; Y363-M367 HydrophobicContact CE1-CE 3.78Å; Y363-M367 WeakPolarHBondContact O-CB 3.41Å; Y363-M367 PolarHBondContact O-N 3.02Å
364A98.3Very high96Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-61.9-38.6174.800000112.5I341 R342 L360 W361 M367 Q368I341-A364 HydrophobicContact CB-CB 4.11Å; I341-A364 HydrophobicContact CG2-CB 3.81Å; R342-A364 HydrophobicContact CG-CB 3.7Å; L360-A364 PolarHBondContact O-N 3.3Å; W361-A364 PolarHBondContact O-N 3.34Å; A364-M367 WeakPolarHBondContact O-CB 3.22Å; A364-M367 PolarHBondContact O-N 3.41Å; A364-Q368 WeakPolarHBondContact O-CB 3.19Å; A364-Q368 WeakPolarHBondContact O-CG 3.14Å; A364-Q368 PolarHBondContact O-N 3.1Å
365L98.2Very high96Very high0 Ų035.6 Ų35.60%018%0.183CC..Hα-helixtrans-66.1-42.9176.1177.761.8000111.3W361 K362 Y363 M367 Q368 Q369 T379 L383 F386 I414 K417W361-L365 VanDerWaalsContact O-CB 3.3Å; W361-L365 WeakPolarHBondContact O-CB 3.45Å; W361-L365 PolarHBondContact O-N 3.31Å; K362-L365 PolarHBondContact O-N 3.19Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.06Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.37Å; L365-Q368 PolarHBondContact O-N 3.03Å; L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 HydrophobicContact CG-CG 4.47Å; L365-Q369 WeakPolarHBondContact O-CG 3.34Å; L365-Q369 PolarHBondContact O-N 3.03Å; L365-T379 HydrophobicContact CD1-CG2 3.82Å; L365-L383 HydrophobicContact CD1-CD2 3.89Å; L365-L383 HydrophobicContact CD1-CG 4.13Å; L365-L383 HydrophobicContact CD2-CD2 3.58Å; L365-L383 HydrophobicContact CG-CD2 4.39Å; L365-F386 HydrophobicContact CB-CE2 4.38Å; L365-F386 HydrophobicContact CD2-CD2 4.37Å; L365-F386 HydrophobicContact CD2-CE2 3.97Å; L365-I414 HydrophobicContact CD2-CD1 4.24Å; L365-K417 HydrophobicContact CD2-CB 4.06Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.44Å; L365-K417 HydrophobicContact CG-CD 4.15Å
366D97.5Very high96Very high61 Ų6130.8 Ų30.833%0.32616%0.164SC..Hα-helixtrans-61.2-42.4175.7-75.5-28.8000112K362 Y363 Q369 S370 K417K362-D366 PolarHBondContact O-N 2.89Å; Y363-D366 PolarHBondContact O-N 3.19Å; D366-Q369 PolarHBondContact O-N 3.44Å; D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 3.17Å; D366-S370 PolarHBondContact O-OG 3.36Å; D366-K417 VanDerWaalsContact CG-NZ 3.32Å; D366-K417 WeakPolarHBondContact OD1-CE 3.28Å; D366-K417 IonicContact OD1-NZ 2.85Å; D366-K417 PolarHBondContact OD1-NZ 3.15Å; D366-K417 IonicContact OD2-NZ 3.34Å; D366-K417 PolarHBondContact OD2-NZ 2.88Å
367M96.8Very high96.1Very high10 Ų1032.7 Ų32.75%0.04918%0.181CC..Hα-helixtrans-59.4-47.2173.3-175.4-176.6-72.800111.4E327 P332 T337 I341 Y363 A364 L365 S370 N371E327-M367 HydrophobicContact CG-CE 4.11Å; P332-M367 HydrophobicContact CB-CE 4.13Å; P332-M367 HydrophobicContact CB-CG 3.55Å; P332-M367 HydrophobicContact CB-SD 3.93Å; P332-M367 VanDerWaalsContact O-CG 3.25Å; P332-M367 WeakPolarHBondContact O-CG 3.24Å; T337-M367 HydrophobicContact CG2-CE 3.94Å; T337-M367 HydrophobicContact CG2-SD 3.66Å; I341-M367 HydrophobicContact CD1-CE 3.75Å; I341-M367 HydrophobicContact CD1-SD 4.12Å; Y363-M367 HydrophobicContact CE1-CE 3.78Å; Y363-M367 WeakPolarHBondContact O-CB 3.41Å; Y363-M367 PolarHBondContact O-N 3.02Å; A364-M367 WeakPolarHBondContact O-CB 3.22Å; A364-M367 PolarHBondContact O-N 3.41Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.37Å; M367-S370 PolarHBondContact O-N 3.24Å; M367-N371 WeakPolarHBondContact O-CB 3.32Å; M367-N371 PolarHBondContact O-N 3.07Å; M367-N371 VanDerWaalsContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 3.2Å
368Q97.3Very high95.9Very high5 Ų535.6 Ų35.62%0.02320%0.195CC..Hα-helixtrans-63.3-47.4177.8-74.3170.5-8.900112.3S338 A364 L365 S370 N371 L372 S382S338-Q368 PolarHBondContact OG-NE2 3.14Å; S338-Q368 VanDerWaalsContact OG-NE2 3.09Å; A364-Q368 WeakPolarHBondContact O-CB 3.19Å; A364-Q368 WeakPolarHBondContact O-CG 3.14Å; A364-Q368 PolarHBondContact O-N 3.1Å; L365-Q368 PolarHBondContact O-N 3.03Å; Q368-S370 PolarHBondContact O-N 3.21Å; Q368-N371 PolarHBondContact O-N 3.15Å; Q368-L372 HydrophobicContact CB-CD1 3.91Å; Q368-L372 HydrophobicContact CB-CG 4.48Å; Q368-L372 HydrophobicContact CG-CD1 3.86Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CG 3.48Å; Q368-L372 PolarHBondContact O-N 3.15Å; Q368-S382 PolarHBondContact NE2-OG 3.47Å; Q368-S382 PolarHBondContact OE1-OG 3.26Å
369Q96.4Very high95.9Very high13 Ų1335.4 Ų35.46%0.06120%0.195CC..Hα-helixtrans-66.1-23.6179.1-67.8-168.2-68.600112.8L365 D366 T379 K417 E421 R424L365-Q369 HydrophobicContact CD1-CG 4.09Å; L365-Q369 HydrophobicContact CG-CG 4.47Å; L365-Q369 WeakPolarHBondContact O-CG 3.34Å; L365-Q369 PolarHBondContact O-N 3.03Å; D366-Q369 PolarHBondContact O-N 3.44Å; Q369-T379 HydrophobicContact CG-CG2 4Å; Q369-K417 PolarHBondContact NE2-O 3.46Å; Q369-E421 PolarHBondContact NE2-OE2 3.4Å; Q369-R424 PolarHBondContact O-NE 3.31Å; Q369-R424 PolarHBondContact O-NH1 3.17Å; Q369-R424 PolarHBondContact O-NH2 3.37Å
370S95.8Very high95.9Very high96 Ų9634 Ų3467%0.67119%0.188SC*.Hα-helixtrans-85-25.5177.6-56.60000113.4D366 M367 Q368D366-S370 WeakPolarHBondContact O-CB 3.37Å; D366-S370 PolarHBondContact O-N 3.17Å; D366-S370 PolarHBondContact O-OG 3.36Å; M367-S370 PolarHBondContact O-N 3.24Å; Q368-S370 PolarHBondContact O-N 3.21Å
371N94.5Very high95.8Very high71 Ų7136.2 Ų36.238%0.3820%0.203SC..Hα-helixtrans-119.8-17.5-169.1-66.9-88.4000114.9M367 Q368M367-N371 WeakPolarHBondContact O-CB 3.32Å; M367-N371 PolarHBondContact O-N 3.07Å; M367-N371 VanDerWaalsContact O-N 3.13Å; M367-N371 PolarHBondContact O-ND2 3.2Å; Q368-N371 PolarHBondContact O-N 3.15Å
372L92.4Very high95.8Very high31 Ų3135.2 Ų35.216%0.16220%0.199CC..SBendtrans-106.2154.4-179.1-55.2179.5000111.2Q368 M378 R424Q368-L372 HydrophobicContact CB-CD1 3.91Å; Q368-L372 HydrophobicContact CB-CG 4.48Å; Q368-L372 HydrophobicContact CG-CD1 3.86Å; Q368-L372 VanDerWaalsContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CB 3.27Å; Q368-L372 WeakPolarHBondContact O-CG 3.48Å; Q368-L372 PolarHBondContact O-N 3.15Å; L372-M378 HydrophobicContact CD1-CB 3.94Å; L372-M378 HydrophobicContact CD1-CE 3.7Å; L372-M378 HydrophobicContact CD1-SD 4.29Å; L372-M378 HydrophobicContact CD2-CE 3.92Å; L372-M378 HydrophobicContact CG-CE 4.47Å; L372-R424 PolarHBondContact O-NH2 3.27Å
373D92.1Very high95.8Very high117 Ų11733.3 Ų33.363%0.62619%0.192SC*.  trans-56.4148.7171.8-68.7-41.7000111.7S376D373-S376 VanDerWaalsContact O-CB 3.32Å; D373-S376 WeakPolarHBondContact O-CB 3.46Å; D373-S376 PolarHBondContact O-N 3.06Å
374P94.1Very high95.8Very high25 Ų2531.6 Ų31.616%0.16219%0.186CC..THydrogen-bonded Turntrans-54.2142.9173.8-22.433.1000111.9S376 E421 R424 A425P374-S376 PolarHBondContact O-N 3.02Å; P374-E421 WeakPolarHBondContact CA-OE1 3.21Å; P374-R424 HydrophobicContact CB-CB 3.98Å; P374-R424 HydrophobicContact CG-CB 3.88Å; P374-A425 HydrophobicContact CB-CB 3.9Å
375L94Very high95.8Very high11 Ų1132.6 Ų32.66%0.05819%0.192CC..THydrogen-bonded Turntrans60.623.4-178.7-52.5171.4000113.9E421 I422 A425 A433 Q437 L438 A441L375-E421 HydrophobicContact CD2-CG 4.06Å; L375-E421 PolarHBondContact N-OE1 3.35Å; L375-I422 HydrophobicContact CD2-CD1 4.21Å; L375-A425 HydrophobicContact CD1-CB 3.55Å; L375-A425 HydrophobicContact CD2-CB 4.37Å; L375-A425 HydrophobicContact CG-CB 3.7Å; L375-A433 HydrophobicContact CD1-CB 3.64Å; L375-Q437 HydrophobicContact CB-CB 4.01Å; L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.1Å; L375-L438 HydrophobicContact CD2-CD1 4.48Å; L375-A441 HydrophobicContact CD2-CB 3.66Å
376S93.6Very high95.7Very high15 Ų1532.6 Ų32.611%0.10519%0.192CC..  trans-52.9136.4171.8173.70000110.8D373 P374 M378 T379 A380D373-S376 VanDerWaalsContact O-CB 3.32Å; D373-S376 WeakPolarHBondContact O-CB 3.46Å; D373-S376 PolarHBondContact O-N 3.06Å; P374-S376 PolarHBondContact O-N 3.02Å; S376-M378 PolarHBondContact O-N 3.43Å; S376-M378 VanDerWaalsContact O-N 3.08Å; S376-M378 PolarHBondContact OG-N 3Å; S376-T379 PolarHBondContact O-N 3.24Å; S376-A380 PolarHBondContact O-N 2.96Å
377P94.1Very high95.8Very high80 Ų8029.8 Ų29.852%0.51918%0.177SC..Hα-helixtrans-54.4-30176.2-27.934.9000113.7S381P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 3.01Å
378M94.3Very high95.7Very high60 Ų6031 Ų3130%0.29618%0.183SC..Hα-helixtrans-67.7-47.2175.7-70.4-175.7-85.300111.6P335 L372 S376 S381 S382P335-M378 HydrophobicContact CB-SD 3.94Å; P335-M378 HydrophobicContact CG-CE 4.34Å; P335-M378 HydrophobicContact CG-SD 4.26Å; L372-M378 HydrophobicContact CD1-CB 3.94Å; L372-M378 HydrophobicContact CD1-CE 3.7Å; L372-M378 HydrophobicContact CD1-SD 4.29Å; L372-M378 HydrophobicContact CD2-CE 3.92Å; L372-M378 HydrophobicContact CG-CE 4.47Å; S376-M378 PolarHBondContact O-N 3.43Å; S376-M378 VanDerWaalsContact O-N 3.08Å; S376-M378 PolarHBondContact OG-N 3Å; M378-S381 WeakPolarHBondContact O-CB 3.35Å; M378-S381 PolarHBondContact O-N 3.18Å; M378-S382 PolarHBondContact O-N 2.93Å; M378-S382 PolarHBondContact O-OG 3.39Å
379T96.3Very high95.6Very high0 Ų031.4 Ų31.40%019%0.185CC..Hα-helixtrans-61.6-45.2175.5-51.60000110.8L365 Q369 S376 S381 S382 L383 E421L365-T379 HydrophobicContact CD1-CG2 3.82Å; Q369-T379 HydrophobicContact CG-CG2 4Å; S376-T379 PolarHBondContact O-N 3.24Å; T379-S381 VanDerWaalsContact C-N 3.31Å; T379-S381 PolarHBondContact O-N 3Å; T379-S382 WeakPolarHBondContact O-CB 3.39Å; T379-S382 PolarHBondContact O-N 3.26Å; T379-S382 VanDerWaalsContact O-N 3.14Å; T379-L383 HydrophobicContact CG2-CD1 4.34Å; T379-L383 WeakPolarHBondContact O-CG 3.46Å; T379-L383 PolarHBondContact O-N 2.82Å; T379-E421 HydrophobicContact CG2-CG 4.34Å
380A96.1Very high95.6Very high5 Ų530.8 Ų30.84%0.04118%0.182CC..Hα-helixtrans-61-38.8176.300000112.3S376 L384 K440 I444S376-A380 PolarHBondContact O-N 2.96Å; A380-L384 WeakPolarHBondContact O-CB 3.39Å; A380-L384 PolarHBondContact O-N 3.13Å; A380-K440 HydrophobicContact CB-CD 4.39Å; A380-I444 WeakPolarHBondContact O-CD1 3.41Å
381S96.1Very high95.5Very high45 Ų4526.4 Ų26.432%0.31515%0.152SC..Hα-helixtrans-62.9-42.9173.3174.90000112R342 P377 M378 T379 L384 S385R342-S381 PolarHBondContact NH1-OG 2.86Å; P377-S381 WeakPolarHBondContact O-CB 3.45Å; P377-S381 PolarHBondContact O-N 3.01Å; M378-S381 WeakPolarHBondContact O-CB 3.35Å; M378-S381 PolarHBondContact O-N 3.18Å; T379-S381 VanDerWaalsContact C-N 3.31Å; T379-S381 PolarHBondContact O-N 3Å; S381-L384 PolarHBondContact O-N 3.32Å; S381-S385 PolarHBondContact O-N 3.08Å; S381-S385 PolarHBondContact O-OG 2.97Å; S381-S385 VanDerWaalsContact O-OG 3.11Å
382S97.8Very high95.5Very high2 Ų227.7 Ų27.71%0.01415%0.154CC..Hα-helixtrans-63.3-47.1178.1-60.70000112.2R342 Q368 M378 T379 L384 S385 F386R342-S382 VanDerWaalsContact CD-OG 3.31Å; R342-S382 WeakPolarHBondContact CD-OG 3.47Å; R342-S382 PolarHBondContact NE-OG 2.88Å; Q368-S382 PolarHBondContact NE2-OG 3.47Å; Q368-S382 PolarHBondContact OE1-OG 3.26Å; M378-S382 PolarHBondContact O-N 2.93Å; M378-S382 PolarHBondContact O-OG 3.39Å; T379-S382 WeakPolarHBondContact O-CB 3.39Å; T379-S382 PolarHBondContact O-N 3.26Å; T379-S382 VanDerWaalsContact O-N 3.14Å; S382-L384 VanDerWaalsContact C-N 3.34Å; S382-L384 PolarHBondContact O-N 3.17Å; S382-S385 PolarHBondContact O-N 3.04Å; S382-F386 VanDerWaalsContact O-CD2 3.3Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.63Å; S382-F386 VanDerWaalsContact O-N 3.12Å
383L98.2Very high95.5Very high4 Ų426.4 Ų26.42%0.02115%0.147CC..Hα-helixtrans-61.8-41.4177.7-67.2175.3000112.1L365 T379 F386 A387 I414 S418 I444L365-L383 HydrophobicContact CD1-CD2 3.89Å; L365-L383 HydrophobicContact CD1-CG 4.13Å; L365-L383 HydrophobicContact CD2-CD2 3.58Å; L365-L383 HydrophobicContact CG-CD2 4.39Å; T379-L383 HydrophobicContact CG2-CD1 4.34Å; T379-L383 WeakPolarHBondContact O-CG 3.46Å; T379-L383 PolarHBondContact O-N 2.82Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.21Å; L383-A387 PolarHBondContact O-N 2.95Å; L383-I414 HydrophobicContact CD2-CG2 4.08Å; L383-S418 WeakPolarHBondContact CD2-OG 3.42Å; L383-I444 HydrophobicContact CB-CD1 4.38Å; L383-I444 HydrophobicContact CB-CG2 3.99Å
384L97.8Very high95.4Very high13 Ų1321.9 Ų21.97%0.06812%0.123CC..Hα-helixtrans-62.8-45.4174.8174.559000111.7A380 S381 S382 F386 A387 E388 I444 V497A380-L384 WeakPolarHBondContact O-CB 3.39Å; A380-L384 PolarHBondContact O-N 3.13Å; S381-L384 PolarHBondContact O-N 3.32Å; S382-L384 VanDerWaalsContact C-N 3.34Å; S382-L384 PolarHBondContact O-N 3.17Å; L384-F386 PolarHBondContact O-N 3.33Å; L384-A387 WeakPolarHBondContact O-CB 3.46Å; L384-A387 PolarHBondContact O-N 3.46Å; L384-E388 HydrophobicContact CD1-CG 4.12Å; L384-E388 HydrophobicContact CG-CG 4.38Å; L384-E388 WeakPolarHBondContact O-CG 3.3Å; L384-E388 PolarHBondContact O-N 3.27Å; L384-I444 HydrophobicContact CB-CD1 3.87Å; L384-I444 HydrophobicContact CB-CG1 4.2Å; L384-I444 HydrophobicContact CD1-CG1 4.44Å; L384-V497 HydrophobicContact CD1-CB 4.47Å; L384-V497 HydrophobicContact CD1-CG1 3.67Å; L384-V497 HydrophobicContact CD1-CG2 4.2Å; L384-V497 WeakPolarHBondContact CD2-O 3.4Å
385S97.3Very high95.1Very high20 Ų2025.1 Ų25.114%0.1414%0.136CC..Hα-helixtrans-59.2-36.3178-66.30000112.4R342 W361 S381 S382 E388 L389R342-S385 PolarHBondContact NH2-OG 3.14Å; W361-S385 WeakPolarHBondContact CZ3-O 3.48Å; S381-S385 PolarHBondContact O-N 3.08Å; S381-S385 PolarHBondContact O-OG 2.97Å; S381-S385 VanDerWaalsContact O-OG 3.11Å; S382-S385 PolarHBondContact O-N 3.04Å; S385-E388 PolarHBondContact O-N 3.46Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.97Å
386F98Very high94.3Very high1 Ų125.5 Ų25.50%0.00414%0.138CC..Hα-helixtrans-61.1-46.9171.3-85.6-69.6000112.5I358 W361 K362 L365 S382 L383 L384 E388 L389 F390 I414I358-F386 HydrophobicContact CG2-CE1 4.42Å; W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.79Å; W361-F386 HydrophobicContact CB-CE2 3.72Å; W361-F386 HydrophobicContact CB-CZ 3.22Å; W361-F386 AromaticContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD1 4Å; W361-F386 HydrophobicContact CE3-CD2 4.47Å; W361-F386 HydrophobicContact CE3-CE1 4.06Å; W361-F386 HydrophobicContact CE3-CG 4.22Å; W361-F386 HydrophobicContact CE3-CZ 4.34Å; W361-F386 HydrophobicContact CG-CZ 4.37Å; K362-F386 HydrophobicContact CB-CZ 4.46Å; K362-F386 HydrophobicContact CG-CE1 4.27Å; K362-F386 HydrophobicContact CG-CZ 3.83Å; L365-F386 HydrophobicContact CB-CE2 4.38Å; L365-F386 HydrophobicContact CD2-CD2 4.37Å; L365-F386 HydrophobicContact CD2-CE2 3.97Å; S382-F386 VanDerWaalsContact O-CD2 3.3Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.63Å; S382-F386 VanDerWaalsContact O-N 3.12Å; L383-F386 WeakPolarHBondContact O-CB 3.47Å; L383-F386 PolarHBondContact O-N 3.21Å; L384-F386 PolarHBondContact O-N 3.33Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 2.91Å; F386-L389 PolarHBondContact O-N 3.41Å; F386-F390 HydrophobicContact CB-CD2 4.43Å; F386-F390 HydrophobicContact CB-CE2 4.05Å; F386-F390 HydrophobicContact CD1-CE1 4.25Å; F386-F390 HydrophobicContact CD1-CE2 4.04Å; F386-F390 AromaticContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CE1-CZ 4.34Å; F386-F390 HydrophobicContact CG-CE2 4.46Å; F386-F390 WeakPolarHBondContact O-CB 3.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.16Å; F386-F390 WeakPolarHBondContact O-CG 3.42Å; F386-F390 PolarHBondContact O-N 3.47Å; F386-I414 HydrophobicContact CB-CG1 4.27Å; F386-I414 HydrophobicContact CB-CG2 3.85Å; F386-I414 HydrophobicContact CD1-CD1 3.91Å; F386-I414 HydrophobicContact CD1-CG1 3.82Å; F386-I414 HydrophobicContact CD2-CD1 3.86Å; F386-I414 HydrophobicContact CD2-CG1 4.26Å; F386-I414 HydrophobicContact CD2-CG2 4.24Å; F386-I414 HydrophobicContact CE1-CD1 3.75Å; F386-I414 HydrophobicContact CE1-CG1 4.11Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CG-CD1 3.94Å; F386-I414 HydrophobicContact CG-CG1 3.88Å; F386-I414 HydrophobicContact CG-CG2 4.1Å; F386-I414 HydrophobicContact CZ-CD1 3.61Å; F386-I414 HydrophobicContact CZ-CG1 4.43Å
387A97.8Very high93.3Very high1 Ų130.4 Ų30.41%0.00815%0.154CC..Hα-helixtrans-61.9-40.7178.500000111.7L383 L384 S391 L448 L451 V502L383-A387 PolarHBondContact O-N 2.95Å; L384-A387 WeakPolarHBondContact O-CB 3.46Å; L384-A387 PolarHBondContact O-N 3.46Å; A387-S391 WeakPolarHBondContact O-CB 3.15Å; A387-S391 PolarHBondContact O-N 2.95Å; A387-L448 HydrophobicContact CB-CD2 3.93Å; A387-L448 HydrophobicContact CB-CG 4.39Å; A387-L451 HydrophobicContact CB-CD1 4.46Å; A387-L451 WeakPolarHBondContact O-CD1 3.47Å; A387-V502 HydrophobicContact CB-CG1 4.06Å; A387-V502 HydrophobicContact CB-CG2 4.44Å
388E96.2Very high92Very high35 Ų3531 Ų3116%0.16417%0.166CC..Hα-helixtrans-62.2-47.9173.9-69.2176.9152.100111.6L384 S385 F386 F390 S391 F392 Y500 V502L384-E388 HydrophobicContact CD1-CG 4.12Å; L384-E388 HydrophobicContact CG-CG 4.38Å; L384-E388 WeakPolarHBondContact O-CG 3.3Å; L384-E388 PolarHBondContact O-N 3.27Å; S385-E388 PolarHBondContact O-N 3.46Å; F386-E388 VanDerWaalsContact C-N 3.32Å; F386-E388 PolarHBondContact O-N 2.91Å; E388-F390 PolarHBondContact O-N 2.85Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-F392 WeakPolarHBondContact O-CB 3.43Å; E388-F392 PolarHBondContact O-N 3.38Å; E388-Y500 PolarHBondContact OE1-N 2.9Å; E388-V502 HydrophobicContact CB-CG2 4.47Å; E388-V502 HydrophobicContact CG-CG2 3.77Å
389L95.1Very high91.2Very high14 Ų1434.4 Ų34.47%0.07318%0.179CC..Hα-helixtrans-59.9-47.3177.7-176.467.2000111.8A349 F354 I358 W361 S385 F386 S391 F392 M393A349-L389 HydrophobicContact CB-CD1 4.13Å; F354-L389 HydrophobicContact CD1-CD1 3.86Å; F354-L389 HydrophobicContact CE1-CD1 4.03Å; I358-L389 HydrophobicContact CG1-CD2 4.13Å; W361-L389 HydrophobicContact CE3-CD2 4.07Å; W361-L389 HydrophobicContact CH2-CB 4.33Å; W361-L389 HydrophobicContact CH2-CD2 4.26Å; W361-L389 HydrophobicContact CZ3-CB 3.82Å; W361-L389 HydrophobicContact CZ3-CD2 3.68Å; W361-L389 HydrophobicContact CZ3-CG 4.29Å; S385-L389 WeakPolarHBondContact O-CB 3.42Å; S385-L389 PolarHBondContact O-N 2.97Å; F386-L389 PolarHBondContact O-N 3.41Å; L389-S391 PolarHBondContact O-N 3.29Å; L389-F392 WeakPolarHBondContact O-CB 3.25Å; L389-F392 PolarHBondContact O-N 2.91Å; L389-M393 HydrophobicContact CG-SD 4.1Å; L389-M393 VanDerWaalsContact O-CG 3.29Å; L389-M393 WeakPolarHBondContact O-CG 3.3Å; L389-M393 PolarHBondContact O-N 2.88Å
390F95.8Very high90Very high0 Ų037.6 Ų37.60%021%0.212CC..Hα-helixtrans-67-37.4-179.7-62.9-30.7000112.3I358 F386 E388 M393 L394 V406 D410 L411 I414 L448 L451I358-F390 HydrophobicContact CD1-CE1 3.94Å; I358-F390 HydrophobicContact CG1-CE1 4.15Å; F386-F390 HydrophobicContact CB-CD2 4.43Å; F386-F390 HydrophobicContact CB-CE2 4.05Å; F386-F390 HydrophobicContact CD1-CE1 4.25Å; F386-F390 HydrophobicContact CD1-CE2 4.04Å; F386-F390 AromaticContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CD1-CZ 3.67Å; F386-F390 HydrophobicContact CE1-CZ 4.34Å; F386-F390 HydrophobicContact CG-CE2 4.46Å; F386-F390 WeakPolarHBondContact O-CB 3.41Å; F386-F390 WeakPolarHBondContact O-CD2 3.16Å; F386-F390 WeakPolarHBondContact O-CG 3.42Å; F386-F390 PolarHBondContact O-N 3.47Å; E388-F390 PolarHBondContact O-N 2.85Å; F390-M393 HydrophobicContact CD1-SD 4.35Å; F390-M393 PolarHBondContact O-N 3.02Å; F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.36Å; F390-V406 HydrophobicContact CB-CG2 4.35Å; F390-V406 HydrophobicContact CD1-CB 4.34Å; F390-V406 HydrophobicContact CD1-CG2 3.52Å; F390-V406 HydrophobicContact CE1-CG2 3.93Å; F390-V406 HydrophobicContact CG-CG2 3.99Å; F390-D410 HydrophobicContact CE1-CB 4.28Å; F390-D410 HydrophobicContact CZ-CB 4.23Å; F390-L411 HydrophobicContact CB-CD2 3.88Å; F390-L411 HydrophobicContact CB-CG 4.45Å; F390-L411 HydrophobicContact CD2-CD2 3.34Å; F390-L411 HydrophobicContact CD2-CG 3.92Å; F390-L411 HydrophobicContact CE2-CD2 4.04Å; F390-L411 HydrophobicContact CE2-CG 4.32Å; F390-L411 HydrophobicContact CG-CD2 3.85Å; F390-L411 HydrophobicContact CG-CG 4.22Å; F390-I414 HydrophobicContact CE2-CB 4.06Å; F390-I414 HydrophobicContact CE2-CG1 3.64Å; F390-I414 HydrophobicContact CZ-CG1 3.8Å; F390-L448 HydrophobicContact CD2-CD2 4.26Å; F390-L451 HydrophobicContact CB-CD1 4.01Å
391S94.5Very high88.8Confident4 Ų443 Ų433%0.02824%0.24CC..Hα-helixtrans-61.5-46.5172.5-173.90000111.5A387 E388 L389 M393 L394 Q395 V502A387-S391 WeakPolarHBondContact O-CB 3.15Å; A387-S391 PolarHBondContact O-N 2.95Å; E388-S391 PolarHBondContact O-N 3.46Å; L389-S391 PolarHBondContact O-N 3.29Å; S391-M393 PolarHBondContact O-N 3.29Å; S391-L394 PolarHBondContact O-N 3.12Å; S391-Q395 WeakPolarHBondContact O-CG 3.36Å; S391-Q395 PolarHBondContact O-N 3.26Å; S391-Q395 PolarHBondContact OG-NE2 3.07Å; S391-V502 PolarHBondContact OG-O 3.49Å; S391-V502 VanDerWaalsContact OG-O 3.05Å
392F92.7Very high87.4Confident98 Ų9843.1 Ų43.143%0.4324%0.237SC..Hα-helixtrans-56.9-49.8175.9175.4-99.1000111.8F354 E388 L389 L394 Q395 D396F354-F392 HydrophobicContact CE1-CD1 4.28Å; F354-F392 HydrophobicContact CE1-CE1 4.16Å; F354-F392 HydrophobicContact CZ-CD1 4.5Å; F354-F392 HydrophobicContact CZ-CE1 4Å; E388-F392 WeakPolarHBondContact O-CB 3.43Å; E388-F392 PolarHBondContact O-N 3.38Å; L389-F392 WeakPolarHBondContact O-CB 3.25Å; L389-F392 PolarHBondContact O-N 2.91Å; F392-L394 VanDerWaalsContact C-N 3.31Å; F392-L394 PolarHBondContact O-N 3.44Å; F392-Q395 PolarHBondContact O-N 3.41Å; F392-D396 VanDerWaalsContact CZ-OD2 3.24Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.45Å; F392-D396 PolarHBondContact O-N 2.87Å; F392-D396 VanDerWaalsContact O-N 3.1Å
393M92.4Very high85.9Confident4 Ų447.3 Ų47.32%0.0228%0.28CS..Hα-helixtrans-60.1-37.1178.7-69.4174.273.700112.9F354 I358 L389 F390 S391 R397 V406F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.02Å; F354-M393 HydrophobicContact CD1-CE 4.4Å; F354-M393 HydrophobicContact CD1-CG 3.93Å; F354-M393 HydrophobicContact CD1-SD 3.9Å; F354-M393 HydrophobicContact CD2-CE 4.43Å; F354-M393 HydrophobicContact CE1-CG 4.13Å; F354-M393 HydrophobicContact CG-CE 3.91Å; F354-M393 HydrophobicContact CG-CG 4.29Å; F354-M393 HydrophobicContact CG-SD 4.02Å; I358-M393 HydrophobicContact CD1-SD 4.47Å; L389-M393 HydrophobicContact CG-SD 4.1Å; L389-M393 VanDerWaalsContact O-CG 3.29Å; L389-M393 WeakPolarHBondContact O-CG 3.3Å; L389-M393 PolarHBondContact O-N 2.88Å; F390-M393 HydrophobicContact CD1-SD 4.35Å; F390-M393 PolarHBondContact O-N 3.02Å; S391-M393 PolarHBondContact O-N 3.29Å; M393-R397 WeakPolarHBondContact O-CB 3.48Å; M393-R397 PolarHBondContact O-N 3.2Å; M393-R397 VanDerWaalsContact O-N 3.15Å; M393-V406 HydrophobicContact CB-CB 4.38Å; M393-V406 HydrophobicContact CB-CG1 4.37Å; M393-V406 HydrophobicContact CE-CB 4.04Å; M393-V406 HydrophobicContact SD-CB 4.32Å
394L91Very high84.7Confident22 Ų2250 Ų5012%0.11530%0.296CS..Hα-helixtrans-72.3-36177.7-72.9172.3000113F390 S391 F392 A398 V406 L451 K454 V455F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.36Å; S391-L394 PolarHBondContact O-N 3.12Å; F392-L394 VanDerWaalsContact C-N 3.31Å; F392-L394 PolarHBondContact O-N 3.44Å; L394-A398 PolarHBondContact O-N 2.98Å; L394-V406 HydrophobicContact CD1-CG1 4.26Å; L394-V406 HydrophobicContact CD2-CG1 3.41Å; L394-V406 VanDerWaalsContact CD2-CG1 3.41Å; L394-V406 HydrophobicContact CG-CG1 3.54Å; L394-L451 HydrophobicContact CD1-CB 4.3Å; L394-L451 HydrophobicContact CD1-CD2 4Å; L394-K454 HydrophobicContact CD1-CB 4.3Å; L394-V455 HydrophobicContact CD1-CG2 4.07Å; L394-V455 HydrophobicContact CD2-CG2 3.69Å; L394-V455 HydrophobicContact CG-CG2 4.49Å
395Q87.6Confident83.9Confident93 Ų9352.9 Ų52.944%0.43532%0.315SS..Hα-helixtrans-68.4-44.1178.1-70.9175.928.500111.7S391 F392 R397 A398 K399S391-Q395 WeakPolarHBondContact O-CG 3.36Å; S391-Q395 PolarHBondContact O-N 3.26Å; S391-Q395 PolarHBondContact OG-NE2 3.07Å; F392-Q395 PolarHBondContact O-N 3.41Å; Q395-R397 VanDerWaalsContact C-N 3.33Å; Q395-A398 WeakPolarHBondContact O-CB 3.26Å; Q395-A398 PolarHBondContact O-N 2.89Å; Q395-A398 VanDerWaalsContact O-N 3.15Å; Q395-K399 PolarHBondContact O-N 3.26Å
396D78.4Confident83.5Confident20 Ų2052.2 Ų52.211%0.10731%0.31CS..Hα-helixtrans-75.5-24.2-179.6-83.63000112.9F392 A398 K399 G400 L401 L402F392-D396 VanDerWaalsContact CZ-OD2 3.24Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.45Å; F392-D396 PolarHBondContact O-N 2.87Å; F392-D396 VanDerWaalsContact O-N 3.1Å; D396-A398 VanDerWaalsContact C-N 3.33Å; D396-K399 CarbonylContact O-C 3.44Å; D396-K399 PolarHBondContact O-N 3.03Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 IonicContact OD1-NZ 3.63Å; D396-K399 PolarHBondContact OD1-NZ 2.94Å; D396-G400 PolarHBondContact O-N 3.4Å; D396-L401 HydrophobicContact CB-CB 4.29Å; D396-L401 PolarHBondContact O-N 3.05Å; D396-L402 HydrophobicContact CB-CD1 3.57Å; D396-L402 HydrophobicContact CB-CG 3.82Å
397R71.4Confident83.2Confident118 Ų11854.9 Ų54.945%0.44533%0.326SS..Hα-helixtrans-58.9-44.5163.9-178.5-173.2176.2-163.1-1.1111.4M393 Q395 K399 G400 T405M393-R397 WeakPolarHBondContact O-CB 3.48Å; M393-R397 PolarHBondContact O-N 3.2Å; M393-R397 VanDerWaalsContact O-N 3.15Å; Q395-R397 VanDerWaalsContact C-N 3.33Å; R397-K399 PolarHBondContact O-N 2.74Å; R397-G400 PolarHBondContact O-N 3.1Å; R397-T405 HydrophobicContact CG-CG2 4.39Å
398A68.1Low83.2Confident91 Ų9155.3 Ų55.375%0.75233%0.328SS*.Hα-helixtrans-63.1-22.817800000112.6L394 Q395 D396L394-A398 PolarHBondContact O-N 2.98Å; Q395-A398 WeakPolarHBondContact O-CB 3.26Å; Q395-A398 PolarHBondContact O-N 2.89Å; Q395-A398 VanDerWaalsContact O-N 3.15Å; D396-A398 VanDerWaalsContact C-N 3.33Å
399K76.8Confident83.2Confident132 Ų13258.5 Ų58.557%0.57435%0.346SS*.THydrogen-bonded Turntrans-92.2-5.7174.5-59173.5-164153.30113.9Q395 D396 R397 L401Q395-K399 PolarHBondContact O-N 3.26Å; D396-K399 CarbonylContact O-C 3.44Å; D396-K399 PolarHBondContact O-N 3.03Å; D396-K399 VanDerWaalsContact O-N 3.17Å; D396-K399 IonicContact OD1-NZ 3.63Å; D396-K399 PolarHBondContact OD1-NZ 2.94Å; R397-K399 PolarHBondContact O-N 2.74Å; K399-L401 VanDerWaalsContact C-N 3.35Å; K399-L401 HydrophobicContact CB-CD1 3.73Å; K399-L401 HydrophobicContact CB-CG 3.83Å; K399-L401 HydrophobicContact CD-CD1 3.72Å; K399-L401 HydrophobicContact CG-CD1 4.42Å
400G71.9Confident83.2Confident68 Ų6858.5 Ų58.570%0.70135%0.346SS*.THydrogen-bonded Turntrans71.122.1-177.100000115.1D396 R397D396-G400 PolarHBondContact O-N 3.4Å; R397-G400 PolarHBondContact O-N 3.1Å
401L69.9Low83.2Confident118 Ų11858.5 Ų58.562%0.61835%0.346SS*.  trans-90.2-16.8-170.6-68.1170000114.8D396 K399D396-L401 HydrophobicContact CB-CB 4.29Å; D396-L401 PolarHBondContact O-N 3.05Å; K399-L401 VanDerWaalsContact C-N 3.35Å; K399-L401 HydrophobicContact CB-CD1 3.73Å; K399-L401 HydrophobicContact CB-CG 3.83Å; K399-L401 HydrophobicContact CD-CD1 3.72Å; K399-L401 HydrophobicContact CG-CD1 4.42Å
402L66.7Low83.4Confident48 Ų4858.5 Ų58.525%0.25135%0.346SS..  trans-117.8137.5-171.5-65.8176.4000112.6F354 D396F354-L402 HydrophobicContact CE2-CD1 4.15Å; F354-L402 HydrophobicContact CE2-CD2 3.74Å; F354-L402 HydrophobicContact CZ-CD1 4.24Å; F354-L402 HydrophobicContact CZ-CD2 4.1Å; D396-L402 HydrophobicContact CB-CD1 3.57Å; D396-L402 HydrophobicContact CB-CG 3.82Å
403G67.2Low83.7Confident89 Ų8955 Ų5592%0.91834%0.337SS*.SBendtrans-79.9-21.2173.100000114.4
404T71.7Confident84Confident60 Ų6054.8 Ų54.837%0.36834%0.337SS..SBendtrans-110.3128.2-179.6550000111F354F354-T404 WeakPolarHBondContact CD2-OG1 3.49Å
405T80.6Confident84.3Confident75 Ų7553.8 Ų53.846%0.4633%0.331SS..PPolyproline II helixtrans-102.1146.1179.654.50000111.3R397R397-T405 HydrophobicContact CG-CG2 4.39Å
406V90.1Very high84.8Confident5 Ų550.8 Ų50.83%0.0332%0.32CS..PPolyproline II helixtrans-71.4131.8166.361.20000108.7F390 M393 L394 D410 L411F390-V406 HydrophobicContact CB-CG2 4.35Å; F390-V406 HydrophobicContact CD1-CB 4.34Å; F390-V406 HydrophobicContact CD1-CG2 3.52Å; F390-V406 HydrophobicContact CE1-CG2 3.93Å; F390-V406 HydrophobicContact CG-CG2 3.99Å; M393-V406 HydrophobicContact CB-CB 4.38Å; M393-V406 HydrophobicContact CB-CG1 4.37Å; M393-V406 HydrophobicContact CE-CB 4.04Å; M393-V406 HydrophobicContact SD-CB 4.32Å; L394-V406 HydrophobicContact CD1-CG1 4.26Å; L394-V406 HydrophobicContact CD2-CG1 3.41Å; L394-V406 VanDerWaalsContact CD2-CG1 3.41Å; L394-V406 HydrophobicContact CG-CG1 3.54Å; V406-D410 HydrophobicContact CG2-CB 4.11Å; V406-L411 HydrophobicContact CG2-CD1 4.03Å; V406-L411 HydrophobicContact CG2-CG 3.92Å
407T92Very high85.8Confident58 Ų5852 Ų5236%0.35632%0.324SS..PPolyproline II helixtrans-94.5161.9-179.866.50000111.3D409 D410 L411T407-D409 VanDerWaalsContact C-N 3.25Å; T407-D409 PolarHBondContact O-N 3.46Å; T407-D410 PolarHBondContact O-N 3.08Å; T407-D410 VanDerWaalsContact OG1-CG 3.23Å; T407-D410 PolarHBondContact OG1-N 3.23Å; T407-D410 VanDerWaalsContact OG1-N 3.16Å; T407-D410 PolarHBondContact OG1-OD2 3.22Å; T407-L411 PolarHBondContact O-N 2.74Å
408F96Very high87.1Confident9 Ų946.4 Ų46.44%0.03930%0.304CS..Hα-helixtrans-54.3-45.8169.8174.3-87.5000110.7D410 L411 M412 L452 V455 C457 Q461 K465F408-D410 VanDerWaalsContact C-N 3.3Å; F408-D410 PolarHBondContact O-N 3.09Å; F408-L411 PolarHBondContact O-N 2.93Å; F408-M412 HydrophobicContact CD1-CB 4.08Å; F408-M412 HydrophobicContact CE1-CB 3.7Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE1-SD 4.3Å; F408-M412 HydrophobicContact CZ-CB 4.04Å; F408-M412 HydrophobicContact CZ-CG 3.88Å; F408-M412 HydrophobicContact CZ-SD 3.84Å; F408-M412 WeakPolarHBondContact O-CB 3.47Å; F408-M412 PolarHBondContact O-N 3.1Å; F408-L452 HydrophobicContact CD2-CD2 3.72Å; F408-L452 HydrophobicContact CE2-CD2 3.79Å; F408-L452 HydrophobicContact CG-CD2 4.47Å; F408-V455 HydrophobicContact CB-CG1 4.28Å; F408-C457 HydrophobicContact CD2-CB 3.51Å; F408-C457 HydrophobicContact CE2-CB 3.84Å; F408-C457 HydrophobicContact CG-CB 4.16Å; F408-Q461 HydrophobicContact CD1-CB 3.77Å; F408-Q461 VanDerWaalsContact CD1-CD 3.45Å; F408-Q461 HydrophobicContact CD1-CG 3.55Å; F408-Q461 HydrophobicContact CD2-CB 4.32Å; F408-Q461 HydrophobicContact CE1-CB 3.48Å; F408-Q461 VanDerWaalsContact CE1-CB 3.48Å; F408-Q461 HydrophobicContact CE1-CG 3.57Å; F408-Q461 HydrophobicContact CE2-CB 4.04Å; F408-Q461 HydrophobicContact CG-CB 4.19Å; F408-Q461 HydrophobicContact CG-CG 4.23Å; F408-Q461 HydrophobicContact CZ-CB 3.63Å; F408-Q461 HydrophobicContact CZ-CG 4.25Å; F408-Q461 WeakPolarHBondContact CZ-O 3.45Å; F408-K465 HydrophobicContact CE2-CB 4.21Å; F408-K465 HydrophobicContact CE2-CD 4.48Å; F408-K465 HydrophobicContact CZ-CB 4.05Å
409D96.3Very high88.5Confident103 Ų10342.1 Ų42.155%0.55127%0.268SS*.Hα-helixtrans-64.6-32.7-176.6-59.1-32.9000112.8T407 G413 Q461T407-D409 VanDerWaalsContact C-N 3.25Å; T407-D409 PolarHBondContact O-N 3.46Å; D409-G413 PolarHBondContact O-N 3.15Å; D409-Q461 PolarHBondContact OD1-NE2 2.9Å
410D95.3Very high89.5Confident13 Ų1339.2 Ų39.27%0.0726%0.259CS..Hα-helixtrans-65.5-51175.2-71.9-48.6000111.9K362 F390 V406 T407 F408 I414K362-D410 IonicContact NZ-OD1 3.86Å; K362-D410 PolarHBondContact NZ-OD1 3.36Å; K362-D410 VanDerWaalsContact NZ-OD1 3.09Å; F390-D410 HydrophobicContact CE1-CB 4.28Å; F390-D410 HydrophobicContact CZ-CB 4.23Å; V406-D410 HydrophobicContact CG2-CB 4.11Å; T407-D410 PolarHBondContact O-N 3.08Å; T407-D410 VanDerWaalsContact OG1-CG 3.23Å; T407-D410 PolarHBondContact OG1-N 3.23Å; T407-D410 VanDerWaalsContact OG1-N 3.16Å; T407-D410 PolarHBondContact OG1-OD2 3.22Å; F408-D410 VanDerWaalsContact C-N 3.3Å; F408-D410 PolarHBondContact O-N 3.09Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.48Å
411L97.4Very high90.7Very high0 Ų036.1 Ų36.10%023%0.226CC..Hα-helixtrans-63.1-47.6177-85.8159000111.5F390 V406 T407 F408 G413 I414 L415 L448 L451 L452 V455F390-L411 HydrophobicContact CB-CD2 3.88Å; F390-L411 HydrophobicContact CB-CG 4.45Å; F390-L411 HydrophobicContact CD2-CD2 3.34Å; F390-L411 HydrophobicContact CD2-CG 3.92Å; F390-L411 HydrophobicContact CE2-CD2 4.04Å; F390-L411 HydrophobicContact CE2-CG 4.32Å; F390-L411 HydrophobicContact CG-CD2 3.85Å; F390-L411 HydrophobicContact CG-CG 4.22Å; V406-L411 HydrophobicContact CG2-CD1 4.03Å; V406-L411 HydrophobicContact CG2-CG 3.92Å; T407-L411 PolarHBondContact O-N 2.74Å; F408-L411 PolarHBondContact O-N 2.93Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 3.33Å; L411-I414 PolarHBondContact O-N 3.18Å; L411-I414 VanDerWaalsContact O-N 3.15Å; L411-L415 PolarHBondContact O-N 3.31Å; L411-L448 HydrophobicContact CD2-CD2 4.32Å; L411-L451 HydrophobicContact CD1-CB 4.41Å; L411-L451 HydrophobicContact CD2-CB 3.69Å; L411-L451 HydrophobicContact CD2-CD1 4.13Å; L411-L452 HydrophobicContact CB-CD2 3.49Å; L411-L452 VanDerWaalsContact CB-CD2 3.49Å; L411-L452 HydrophobicContact CB-CG 3.87Å; L411-L452 HydrophobicContact CD1-CD2 4.3Å; L411-L452 HydrophobicContact CG-CD2 4.47Å; L411-V455 HydrophobicContact CD1-CB 4.38Å; L411-V455 HydrophobicContact CD1-CG2 3.59Å
412M98.3Very high91.9Very high4 Ų430.5 Ų30.52%0.0220%0.196CC..Hα-helixtrans-62.4-40.5-178-169.965.1-13500111.3F408 I414 L415 C416 L452 F464 K465 T468F408-M412 HydrophobicContact CD1-CB 4.08Å; F408-M412 HydrophobicContact CE1-CB 3.7Å; F408-M412 HydrophobicContact CE1-CG 3.7Å; F408-M412 HydrophobicContact CE1-SD 4.3Å; F408-M412 HydrophobicContact CZ-CB 4.04Å; F408-M412 HydrophobicContact CZ-CG 3.88Å; F408-M412 HydrophobicContact CZ-SD 3.84Å; F408-M412 WeakPolarHBondContact O-CB 3.47Å; F408-M412 PolarHBondContact O-N 3.1Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 3.15Å; M412-L415 HydrophobicContact CE-CB 4.45Å; M412-L415 HydrophobicContact CE-CD2 3.9Å; M412-L415 HydrophobicContact CE-CG 4.35Å; M412-L415 PolarHBondContact O-N 3.27Å; M412-L415 HydrophobicContact SD-CD2 4.11Å; M412-C416 VanDerWaalsContact CE-SG 3.55Å; M412-C416 PolarHBondContact O-N 2.83Å; M412-C416 PolarHBondContact O-SG 2.7Å; M412-L452 HydrophobicContact CB-CD2 4.44Å; M412-L452 HydrophobicContact SD-CD1 4.24Å; M412-F464 HydrophobicContact CE-CD1 4.13Å; M412-F464 HydrophobicContact CE-CE1 3.84Å; M412-F464 HydrophobicContact CE-CZ 4.29Å; M412-F464 HydrophobicContact CG-CD1 3.71Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.2Å; M412-F464 HydrophobicContact SD-CE1 4.27Å; M412-K465 HydrophobicContact SD-CB 4.11Å; M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.6Å; M412-T468 WeakPolarHBondContact CE-OG1 3.26Å
413G97.8Very high93.3Very high25 Ų2529.4 Ų29.426%0.25819%0.19SC..Hα-helixtrans-59.3-39.4174.800000113D409 L411 K417D409-G413 PolarHBondContact O-N 3.15Å; L411-G413 VanDerWaalsContact C-N 3.32Å; L411-G413 PolarHBondContact O-N 3.33Å; G413-K417 WeakPolarHBondContact O-CG 3.22Å; G413-K417 PolarHBondContact O-N 2.79Å
414I98.5Very high94.6Very high0 Ų027.9 Ų27.90%016%0.156CC..Hα-helixtrans-75.4-35.6176.4-58.1-51.8000111.7K362 L365 L383 F386 F390 D410 L411 M412 C416 K417 S418 L448K362-I414 HydrophobicContact CG-CD1 3.91Å; L365-I414 HydrophobicContact CD2-CD1 4.24Å; L383-I414 HydrophobicContact CD2-CG2 4.08Å; F386-I414 HydrophobicContact CB-CG1 4.27Å; F386-I414 HydrophobicContact CB-CG2 3.85Å; F386-I414 HydrophobicContact CD1-CD1 3.91Å; F386-I414 HydrophobicContact CD1-CG1 3.82Å; F386-I414 HydrophobicContact CD2-CD1 3.86Å; F386-I414 HydrophobicContact CD2-CG1 4.26Å; F386-I414 HydrophobicContact CD2-CG2 4.24Å; F386-I414 HydrophobicContact CE1-CD1 3.75Å; F386-I414 HydrophobicContact CE1-CG1 4.11Å; F386-I414 HydrophobicContact CE2-CD1 3.7Å; F386-I414 HydrophobicContact CG-CD1 3.94Å; F386-I414 HydrophobicContact CG-CG1 3.88Å; F386-I414 HydrophobicContact CG-CG2 4.1Å; F386-I414 HydrophobicContact CZ-CD1 3.61Å; F386-I414 HydrophobicContact CZ-CG1 4.43Å; F390-I414 HydrophobicContact CE2-CB 4.06Å; F390-I414 HydrophobicContact CE2-CG1 3.64Å; F390-I414 HydrophobicContact CZ-CG1 3.8Å; D410-I414 WeakPolarHBondContact O-CG1 3.44Å; D410-I414 PolarHBondContact O-N 3.48Å; L411-I414 PolarHBondContact O-N 3.18Å; L411-I414 VanDerWaalsContact O-N 3.15Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 3.15Å; I414-C416 PolarHBondContact O-N 2.95Å; I414-K417 HydrophobicContact CD1-CD 4.48Å; I414-K417 PolarHBondContact O-N 3.35Å; I414-S418 WeakPolarHBondContact O-CB 3.14Å; I414-S418 PolarHBondContact O-N 2.97Å; I414-S418 PolarHBondContact O-OG 3.36Å; I414-L448 HydrophobicContact CG2-CD1 3.88Å; I414-L448 HydrophobicContact CG2-CD2 4.14Å
415L98.6Very high95.7Very high1 Ų125.3 Ų25.31%0.00514%0.141CC..Hα-helixtrans-58.8-47.7171.8178.462.3000110.8L411 M412 K417 S418 V419 I445 L448 I449 L452 T468L411-L415 PolarHBondContact O-N 3.31Å; M412-L415 HydrophobicContact CE-CB 4.45Å; M412-L415 HydrophobicContact CE-CD2 3.9Å; M412-L415 HydrophobicContact CE-CG 4.35Å; M412-L415 PolarHBondContact O-N 3.27Å; M412-L415 HydrophobicContact SD-CD2 4.11Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.3Å; L415-S418 WeakPolarHBondContact O-CB 3.01Å; L415-S418 PolarHBondContact O-N 2.93Å; L415-S418 VanDerWaalsContact O-N 3.1Å; L415-V419 HydrophobicContact CD1-CG2 4.22Å; L415-V419 WeakPolarHBondContact O-CG2 3.4Å; L415-V419 PolarHBondContact O-N 3.02Å; L415-I445 HydrophobicContact CD1-CG2 3.87Å; L415-L448 HydrophobicContact CD1-CB 4.34Å; L415-I449 HydrophobicContact CD1-CG1 4.07Å; L415-I449 HydrophobicContact CD2-CG1 4.25Å; L415-L452 HydrophobicContact CB-CD1 4.27Å; L415-L452 HydrophobicContact CD2-CD1 3.51Å; L415-L452 HydrophobicContact CG-CD1 4.48Å; L415-T468 HydrophobicContact CD2-CG2 4.39Å; L415-T468 HydrophobicContact CG-CG2 4.31Å
416C98.7Very high96.1Very high30 Ų3025.7 Ų25.720%0.20314%0.14CC..Hα-helixtrans-55.6-45.7176-76.70000112.5M412 I414 S418 V419 L420M412-C416 VanDerWaalsContact CE-SG 3.55Å; M412-C416 PolarHBondContact O-N 2.83Å; M412-C416 PolarHBondContact O-SG 2.7Å; I414-C416 PolarHBondContact O-N 2.95Å; C416-S418 VanDerWaalsContact C-N 3.34Å; C416-V419 PolarHBondContact O-N 2.97Å; C416-L420 WeakPolarHBondContact O-CB 3.22Å; C416-L420 PolarHBondContact O-N 3Å
417K98.5Very high96.1Very high44 Ų4433 Ų3319%0.19117%0.171CC..Hα-helixtrans-65.8-35.9176.8-70.1-178.9-171-58.70112.5L365 D366 Q369 G413 I414 L415 L420 E421L365-K417 HydrophobicContact CD2-CB 4.06Å; L365-K417 HydrophobicContact CD2-CD 3.53Å; L365-K417 HydrophobicContact CD2-CG 4.44Å; L365-K417 HydrophobicContact CG-CD 4.15Å; D366-K417 VanDerWaalsContact CG-NZ 3.32Å; D366-K417 WeakPolarHBondContact OD1-CE 3.28Å; D366-K417 IonicContact OD1-NZ 2.85Å; D366-K417 PolarHBondContact OD1-NZ 3.15Å; D366-K417 IonicContact OD2-NZ 3.34Å; D366-K417 PolarHBondContact OD2-NZ 2.88Å; Q369-K417 PolarHBondContact NE2-O 3.46Å; G413-K417 WeakPolarHBondContact O-CG 3.22Å; G413-K417 PolarHBondContact O-N 2.79Å; I414-K417 HydrophobicContact CD1-CD 4.48Å; I414-K417 PolarHBondContact O-N 3.35Å; L415-K417 VanDerWaalsContact C-N 3.33Å; L415-K417 PolarHBondContact O-N 3.3Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.87Å; K417-E421 PolarHBondContact O-N 3.12Å; K417-E421 VanDerWaalsContact O-N 3.08Å
418S98.4Very high95.8Very high2 Ų233.3 Ų33.31%0.01417%0.169CC..Hα-helixtrans-67-43.2176.1-53.60000111.7L383 I414 L415 C416 E421 I422 L448L383-S418 WeakPolarHBondContact CD2-OG 3.42Å; I414-S418 WeakPolarHBondContact O-CB 3.14Å; I414-S418 PolarHBondContact O-N 2.97Å; I414-S418 PolarHBondContact O-OG 3.36Å; L415-S418 WeakPolarHBondContact O-CB 3.01Å; L415-S418 PolarHBondContact O-N 2.93Å; L415-S418 VanDerWaalsContact O-N 3.1Å; C416-S418 VanDerWaalsContact C-N 3.34Å; S418-E421 VanDerWaalsContact O-CB 3.29Å; S418-E421 WeakPolarHBondContact O-CB 3.13Å; S418-E421 PolarHBondContact O-N 3.33Å; S418-I422 PolarHBondContact O-N 3.22Å; S418-L448 VanDerWaalsContact OG-CD1 3.23Å; S418-L448 WeakPolarHBondContact OG-CD1 3.44Å
419V98.3Very high94.7Very high1 Ų139.3 Ų39.31%0.00621%0.206CC..Hα-helixtrans-65.6-40.9175.2175.50000110.9L415 C416 E421 I422 E423 T468 F472 L475L415-V419 HydrophobicContact CD1-CG2 4.22Å; L415-V419 WeakPolarHBondContact O-CG2 3.4Å; L415-V419 PolarHBondContact O-N 3.02Å; C416-V419 PolarHBondContact O-N 2.97Å; V419-E421 PolarHBondContact O-N 3.26Å; V419-I422 WeakPolarHBondContact O-CB 3.33Å; V419-I422 PolarHBondContact O-N 3.27Å; V419-I422 VanDerWaalsContact O-N 3.08Å; V419-E423 WeakPolarHBondContact O-CG 3.26Å; V419-E423 PolarHBondContact O-N 3.21Å; V419-T468 HydrophobicContact CG2-CG2 4.12Å; V419-F472 HydrophobicContact CB-CB 4.5Å; V419-F472 HydrophobicContact CG1-CB 3.88Å; V419-F472 HydrophobicContact CG2-CB 3.78Å; V419-F472 HydrophobicContact CG2-CD2 4.35Å; V419-F472 HydrophobicContact CG2-CG 4.2Å; V419-L475 HydrophobicContact CG1-CD1 4.48Å
420L97.5Very high93.5Very high71 Ų7142.9 Ų42.937%0.37222%0.22SC..Hα-helixtrans-56.6-36.4173.1178.364.5000111.7C416 K417 I422 E423 R424C416-L420 WeakPolarHBondContact O-CB 3.22Å; C416-L420 PolarHBondContact O-N 3Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.87Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.41Å; L420-E423 WeakPolarHBondContact O-CB 3.44Å; L420-E423 PolarHBondContact O-N 3.09Å; L420-R424 HydrophobicContact CD1-CG 4.39Å; L420-R424 HydrophobicContact CG-CG 4.39Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.48Å
421E96.5Very high92.4Very high3 Ų345.8 Ų45.81%0.01424%0.24CC..Hα-helixtrans-62.5-40.9176.5-162.665.2-173.700112.5Q369 P374 L375 T379 K417 S418 V419 R424 A425Q369-E421 PolarHBondContact NE2-OE2 3.4Å; P374-E421 WeakPolarHBondContact CA-OE1 3.21Å; L375-E421 HydrophobicContact CD2-CG 4.06Å; L375-E421 PolarHBondContact N-OE1 3.35Å; T379-E421 HydrophobicContact CG2-CG 4.34Å; K417-E421 PolarHBondContact O-N 3.12Å; K417-E421 VanDerWaalsContact O-N 3.08Å; S418-E421 VanDerWaalsContact O-CB 3.29Å; S418-E421 WeakPolarHBondContact O-CB 3.13Å; S418-E421 PolarHBondContact O-N 3.33Å; V419-E421 PolarHBondContact O-N 3.26Å; E421-R424 VanDerWaalsContact CD-NH1 3.27Å; E421-R424 PolarHBondContact O-N 3.32Å; E421-R424 IonicContact OE1-NH1 2.66Å; E421-R424 PolarHBondContact OE1-NH1 3.07Å; E421-R424 VanDerWaalsContact OE1-NH1 3.15Å; E421-R424 IonicContact OE2-CZ 2.69Å; E421-R424 IonicContact OE2-NH1 3.3Å; E421-R424 PolarHBondContact OE2-NH1 3Å; E421-A425 PolarHBondContact O-N 3.41Å
422I96.2Very high91.4Very high0 Ų051.4 Ų51.40%028%0.276CS..Hα-helixtrans-65.2-41.9174.5-54.2-59.4000110.6L375 S418 V419 L420 R424 A425 I426 L438 A441 L442 I445 F472 L475 P477L375-I422 HydrophobicContact CD2-CD1 4.21Å; S418-I422 PolarHBondContact O-N 3.22Å; V419-I422 WeakPolarHBondContact O-CB 3.33Å; V419-I422 PolarHBondContact O-N 3.27Å; V419-I422 VanDerWaalsContact O-N 3.08Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.41Å; I422-R424 PolarHBondContact O-N 2.75Å; I422-A425 PolarHBondContact O-N 2.76Å; I422-I426 HydrophobicContact CG2-CD1 3.73Å; I422-I426 HydrophobicContact CG2-CG1 4.5Å; I422-I426 WeakPolarHBondContact O-CG1 3.44Å; I422-I426 PolarHBondContact O-N 3.23Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; I422-L442 HydrophobicContact CD1-CD2 3.9Å; I422-L442 HydrophobicContact CG1-CD2 4.38Å; I422-I445 HydrophobicContact CD1-CD1 4.06Å; I422-I445 HydrophobicContact CG1-CD1 3.51Å; I422-F472 HydrophobicContact CG1-CE2 4.25Å; I422-L475 HydrophobicContact CB-CD1 4.2Å; I422-L475 HydrophobicContact CG2-CD1 3.84Å; I422-P477 HydrophobicContact CG2-CB 4.04Å
423E95.8Very high90.5Very high25 Ų2552.9 Ų52.912%0.11729%0.289CS..Hα-helixtrans-61.6-43176.3-67.5172.9-169.700112V419 L420 A425 K427 R471 L475V419-E423 WeakPolarHBondContact O-CG 3.26Å; V419-E423 PolarHBondContact O-N 3.21Å; L420-E423 WeakPolarHBondContact O-CB 3.44Å; L420-E423 PolarHBondContact O-N 3.09Å; E423-A425 VanDerWaalsContact C-N 3.33Å; E423-K427 WeakPolarHBondContact O-CB 3.23Å; E423-K427 VanDerWaalsContact O-CG 3.24Å; E423-K427 WeakPolarHBondContact O-CG 2.95Å; E423-K427 PolarHBondContact O-N 3.3Å; E423-K427 VanDerWaalsContact O-N 3.1Å; E423-R471 IonicContact OE1-CZ 2.81Å; E423-R471 VanDerWaalsContact OE1-CZ 3.28Å; E423-R471 IonicContact OE1-NE 3.71Å; E423-R471 PolarHBondContact OE1-NE 2.71Å; E423-R471 IonicContact OE1-NH2 3.53Å; E423-R471 PolarHBondContact OE1-NH2 2.9Å; E423-L475 HydrophobicContact CB-CD1 4.47Å; E423-L475 HydrophobicContact CG-CD1 3.49Å; E423-L475 VanDerWaalsContact CG-CD1 3.49Å; E423-L475 HydrophobicContact CG-CD2 4Å; E423-L475 HydrophobicContact CG-CG 4.35Å
424R94.6Very high89.9Confident56 Ų5655.5 Ų55.521%0.21130%0.298CS..Hα-helixtrans-61.6-43.1176.8-71.5171.969.2-132.8-5.3111Q369 L372 P374 L420 E421 I422 K427 Q428Q369-R424 PolarHBondContact O-NE 3.31Å; Q369-R424 PolarHBondContact O-NH1 3.17Å; Q369-R424 PolarHBondContact O-NH2 3.37Å; L372-R424 PolarHBondContact O-NH2 3.27Å; P374-R424 HydrophobicContact CB-CB 3.98Å; P374-R424 HydrophobicContact CG-CB 3.88Å; L420-R424 HydrophobicContact CD1-CG 4.39Å; L420-R424 HydrophobicContact CG-CG 4.39Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.43Å; L420-R424 PolarHBondContact O-N 3.48Å; E421-R424 VanDerWaalsContact CD-NH1 3.27Å; E421-R424 PolarHBondContact O-N 3.32Å; E421-R424 IonicContact OE1-NH1 2.66Å; E421-R424 PolarHBondContact OE1-NH1 3.07Å; E421-R424 VanDerWaalsContact OE1-NH1 3.15Å; E421-R424 IonicContact OE2-CZ 2.69Å; E421-R424 IonicContact OE2-NH1 3.3Å; E421-R424 PolarHBondContact OE2-NH1 3Å; I422-R424 PolarHBondContact O-N 2.75Å; R424-K427 PolarHBondContact O-N 2.97Å; R424-Q428 PolarHBondContact O-N 3.15Å
425A93.8Very high89.4Confident6 Ų659.2 Ų59.25%0.0532%0.321CS..Hα-helixtrans-65.8-43.118000000112.8P374 L375 E421 I422 E423 K427 Q428P374-A425 HydrophobicContact CB-CB 3.9Å; L375-A425 HydrophobicContact CD1-CB 3.55Å; L375-A425 HydrophobicContact CD2-CB 4.37Å; L375-A425 HydrophobicContact CG-CB 3.7Å; E421-A425 PolarHBondContact O-N 3.41Å; I422-A425 PolarHBondContact O-N 2.76Å; E423-A425 VanDerWaalsContact C-N 3.33Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.5Å; A425-Q428 WeakPolarHBondContact O-CB 3.42Å; A425-Q428 PolarHBondContact O-N 2.9Å
426I90Very high88.9Confident84 Ų8464.2 Ų64.243%0.43135%0.348SS..Hα-helixtrans-71.4-30.8-179.2-69.2168.3000111.9I422 Q428 L475I422-I426 HydrophobicContact CG2-CD1 3.73Å; I422-I426 HydrophobicContact CG2-CG1 4.5Å; I422-I426 WeakPolarHBondContact O-CG1 3.44Å; I422-I426 PolarHBondContact O-N 3.23Å; I426-Q428 PolarHBondContact O-N 2.88Å; I426-L475 HydrophobicContact CD1-CB 3.62Å; I426-L475 HydrophobicContact CD1-CD1 4.48Å; I426-L475 HydrophobicContact CD1-CG 4.42Å
427K89.5Confident88.7Confident158 Ų15864.7 Ų64.769%0.68735%0.347SS*.Hα-helixtrans-74-14.3175.7-73173.5-175.8174.10113.3E423 R424 A425 T429E423-K427 WeakPolarHBondContact O-CB 3.23Å; E423-K427 VanDerWaalsContact O-CG 3.24Å; E423-K427 WeakPolarHBondContact O-CG 2.95Å; E423-K427 PolarHBondContact O-N 3.3Å; E423-K427 VanDerWaalsContact O-N 3.1Å; R424-K427 PolarHBondContact O-N 2.97Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 3.5Å; K427-T429 PolarHBondContact O-N 3.31Å
428Q85.8Confident88.5Confident65 Ų6563.4 Ų63.430%0.30434%0.342SS..  trans-76.1115.1-179-167.4171.211.400110.4R424 A425 I426R424-Q428 PolarHBondContact O-N 3.15Å; A425-Q428 WeakPolarHBondContact O-CB 3.42Å; A425-Q428 PolarHBondContact O-N 2.9Å; I426-Q428 PolarHBondContact O-N 2.88Å
429T72.7Confident88.4Confident135 Ų13564.7 Ų64.783%0.82835%0.349SS*.  trans-87.7-22-174.950.20000114.3K427K427-T429 PolarHBondContact O-N 3.31Å
430Q72.2Confident88.2Confident178 Ų17867.9 Ų67.983%0.83236%0.363SS*.SBendtrans-85.4-29.3-166.8-65.5-1804.600113.9
431C72.4Confident88.2Confident74 Ų7464.8 Ų64.850%0.535%0.347SS..SBendtrans-142.6127-177.4-167.50000109.2
432P75.8Confident88.3Confident117 Ų11764.7 Ų64.776%0.7635%0.347SS*.PPolyproline II helixtrans-61.7141.1173.326.6-32.8000109.8D434P432-D434 PolarHBondContact O-N 2.54Å
433A79.5Confident88.3Confident36 Ų3665 Ų6530%0.29835%0.349SS..PPolyproline II helixtrans-55.9133.9175.500000111L375 P435 L438L375-A433 HydrophobicContact CD1-CB 3.64Å; A433-P435 WeakPolarHBondContact O-CD 3.39Å; A433-P435 VanDerWaalsContact O-N 3.1Å; A433-L438 HydrophobicContact CB-CD2 4.25Å
434D84.6Confident88.5Confident80 Ų8063.9 Ų63.943%0.42834%0.344SS..PPolyproline II helixtrans-56.9116.4171.5175.21.5000108.9P432 L436 Q437 L438P432-D434 PolarHBondContact O-N 2.54Å; D434-L436 PolarHBondContact O-N 2.04Å; D434-L436 VanDerWaalsContact O-N 3.09Å; D434-L436 WeakPolarHBondContact OD1-CB 3.39Å; D434-L436 PolarHBondContact OD1-N 3.5Å; D434-Q437 HydrophobicContact CB-CB 4.23Å; D434-Q437 HydrophobicContact CB-CG 4.06Å; D434-Q437 PolarHBondContact O-N 3.28Å; D434-Q437 VanDerWaalsContact O-N 3.1Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.01Å; D434-L438 WeakPolarHBondContact O-CB 3.28Å; D434-L438 PolarHBondContact O-N 2.91Å
435P87.5Confident88.7Confident77 Ų7761.2 Ų61.250%0.533%0.334SS..Hα-helixtrans-55.7-30.6-178.1-26.635.4000113.2A433 N439A433-P435 WeakPolarHBondContact O-CD 3.39Å; A433-P435 VanDerWaalsContact O-N 3.1Å; P435-N439 VanDerWaalsContact O-CB 3.26Å; P435-N439 WeakPolarHBondContact O-CB 3.5Å; P435-N439 PolarHBondContact O-N 3.32Å
436L89.9Confident88.9Confident107 Ų10761 Ų6156%0.5633%0.332SS*.Hα-helixtrans-72.7-44.2179.1-176.161000111.8D434 N439 K440D434-L436 PolarHBondContact O-N 2.04Å; D434-L436 VanDerWaalsContact O-N 3.09Å; D434-L436 WeakPolarHBondContact OD1-CB 3.39Å; D434-L436 PolarHBondContact OD1-N 3.5Å; L436-N439 PolarHBondContact O-N 2.95Å; L436-K440 PolarHBondContact O-N 3.17Å; L436-K440 VanDerWaalsContact O-N 3.08Å
437Q93.1Very high89.3Confident39 Ų3957 Ų5718%0.18231%0.311CS..Hα-helixtrans-68.1-39.4175.9-61.3-53.6-25.500111.5L375 D434 K440 A441L375-Q437 HydrophobicContact CB-CB 4.01Å; D434-Q437 HydrophobicContact CB-CB 4.23Å; D434-Q437 HydrophobicContact CB-CG 4.06Å; D434-Q437 PolarHBondContact O-N 3.28Å; D434-Q437 VanDerWaalsContact O-N 3.1Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.01Å; Q437-K440 PolarHBondContact O-N 2.81Å; Q437-A441 PolarHBondContact O-N 3.38Å
438L94.6Very high89.7Confident17 Ų1749.4 Ų49.49%0.08928%0.278CS..Hα-helixtrans-60.9-47.8175-177.451.9000110.5L375 I422 A433 D434 K440 A441 L442 R478L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.1Å; L375-L438 HydrophobicContact CD2-CD1 4.48Å; I422-L438 HydrophobicContact CD1-CD1 3.69Å; A433-L438 HydrophobicContact CB-CD2 4.25Å; D434-L438 WeakPolarHBondContact O-CB 3.28Å; D434-L438 PolarHBondContact O-N 2.91Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.15Å; L438-A441 PolarHBondContact O-N 2.93Å; L438-A441 VanDerWaalsContact O-N 3.15Å; L438-L442 HydrophobicContact CD1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.37Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.21Å; L438-L442 PolarHBondContact O-N 3.12Å; L438-R478 WeakPolarHBondContact CD2-O 3.49Å
439N95.6Very high90.3Very high30 Ų3046.3 Ų46.316%0.1626%0.264CS..Hα-helixtrans-54.4-46.6175.3-167.982.7000112.2P435 L436 A441 L442 S443 K480P435-N439 VanDerWaalsContact O-CB 3.26Å; P435-N439 WeakPolarHBondContact O-CB 3.5Å; P435-N439 PolarHBondContact O-N 3.32Å; L436-N439 PolarHBondContact O-N 2.95Å; N439-A441 PolarHBondContact O-N 3.09Å; N439-L442 PolarHBondContact O-N 3.23Å; N439-S443 PolarHBondContact O-N 3.47Å; N439-S443 PolarHBondContact O-OG 3.34Å; N439-K480 HydrophobicContact CB-CB 4.01Å; N439-K480 WeakPolarHBondContact OD1-CB 3.15Å; N439-K480 PolarHBondContact OD1-N 3.18Å
440K95.8Very high91.5Very high68 Ų6840.4 Ų40.430%0.29623%0.228SC..Hα-helixtrans-60.7-44.7178.3-173.5174.4-177.4176.80111.8A380 L436 Q437 L438 S443 I444 V497A380-K440 HydrophobicContact CB-CD 4.39Å; L436-K440 PolarHBondContact O-N 3.17Å; L436-K440 VanDerWaalsContact O-N 3.08Å; Q437-K440 PolarHBondContact O-N 2.81Å; L438-K440 VanDerWaalsContact C-N 3.3Å; L438-K440 PolarHBondContact O-N 3.15Å; K440-S443 PolarHBondContact O-N 3.42Å; K440-I444 HydrophobicContact CG-CD1 4.15Å; K440-I444 VanDerWaalsContact O-CG1 3.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.42Å; K440-I444 PolarHBondContact O-N 3.38Å; K440-V497 HydrophobicContact CG-CG2 4.49Å
441A97Very high92.7Very high6 Ų632 Ų325%0.0519%0.189CC..Hα-helixtrans-62.1-42.8177.200000112L375 I422 Q437 L438 N439 I444 I445L375-A441 HydrophobicContact CD2-CB 3.66Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; Q437-A441 PolarHBondContact O-N 3.38Å; L438-A441 PolarHBondContact O-N 2.93Å; L438-A441 VanDerWaalsContact O-N 3.15Å; N439-A441 PolarHBondContact O-N 3.09Å; A441-I444 PolarHBondContact O-N 3.32Å; A441-I445 WeakPolarHBondContact O-CG1 3.14Å; A441-I445 PolarHBondContact O-N 3.16Å
442L97.6Very high93.9Very high0 Ų028.5 Ų28.50%017%0.165CC..Hα-helixtrans-62.2-45.7175.4-61.3178.1000111.6I422 L438 N439 I444 I445 L446 F472 P477 L488I422-L442 HydrophobicContact CD1-CD2 3.9Å; I422-L442 HydrophobicContact CG1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CD2 4.38Å; L438-L442 HydrophobicContact CD1-CG 4.24Å; L438-L442 HydrophobicContact CG-CD1 4.37Å; L438-L442 VanDerWaalsContact O-CG 3.3Å; L438-L442 WeakPolarHBondContact O-CG 3.21Å; L438-L442 PolarHBondContact O-N 3.12Å; N439-L442 PolarHBondContact O-N 3.23Å; L442-I444 VanDerWaalsContact C-N 3.33Å; L442-I444 PolarHBondContact O-N 3.32Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.41Å; L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.06Å; L442-F472 HydrophobicContact CD2-CE2 3.51Å; L442-F472 HydrophobicContact CD2-CZ 3.65Å; L442-P477 HydrophobicContact CD1-CB 4.19Å; L442-P477 HydrophobicContact CD2-CB 3.61Å; L442-P477 HydrophobicContact CD2-CG 3.8Å; L442-L488 HydrophobicContact CB-CD1 3.58Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.48Å
443S97.6Very high94.8Very high7 Ų726.5 Ų26.55%0.04915%0.146CC..Hα-helixtrans-57.1-46.4174.5-61.50000111.2N439 K440 I445 L446 H447N439-S443 PolarHBondContact O-N 3.47Å; N439-S443 PolarHBondContact O-OG 3.34Å; K440-S443 PolarHBondContact O-N 3.42Å; S443-I445 VanDerWaalsContact C-N 3.34Å; S443-I445 PolarHBondContact O-N 3.02Å; S443-L446 PolarHBondContact O-N 3.1Å; S443-H447 PolarHBondContact O-N 3.43Å; S443-H447 VanDerWaalsContact O-N 3.09Å; S443-H447 PolarHBondContact O-ND1 3.29Å
444I98.4Very high95.5Very high1 Ų130.4 Ų30.41%0.00516%0.156CC..Hα-helixtrans-59.3-43.8177.8-65.2162.2000111.3A380 L383 L384 K440 A441 L442 L446 H447 L448 V497A380-I444 WeakPolarHBondContact O-CD1 3.41Å; L383-I444 HydrophobicContact CB-CD1 4.38Å; L383-I444 HydrophobicContact CB-CG2 3.99Å; L384-I444 HydrophobicContact CB-CD1 3.87Å; L384-I444 HydrophobicContact CB-CG1 4.2Å; L384-I444 HydrophobicContact CD1-CG1 4.44Å; K440-I444 HydrophobicContact CG-CD1 4.15Å; K440-I444 VanDerWaalsContact O-CG1 3.28Å; K440-I444 WeakPolarHBondContact O-CG1 3.42Å; K440-I444 PolarHBondContact O-N 3.38Å; A441-I444 PolarHBondContact O-N 3.32Å; L442-I444 VanDerWaalsContact C-N 3.33Å; L442-I444 PolarHBondContact O-N 3.32Å; I444-L446 VanDerWaalsContact C-N 3.33Å; I444-L446 PolarHBondContact O-N 3.41Å; I444-H447 WeakPolarHBondContact O-CB 3.44Å; I444-H447 PolarHBondContact O-N 2.94Å; I444-H447 VanDerWaalsContact O-N 3.17Å; I444-L448 HydrophobicContact CG2-CD1 4.16Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.36Å; I444-L448 PolarHBondContact O-N 3.31Å; I444-V497 HydrophobicContact CG1-CG2 3.69Å
445I98.6Very high95.9Very high1 Ų127.1 Ų27.11%0.00514%0.139CC..Hα-helixtrans-57.4-45.9176.5-72.7167.9000111.2L415 I422 A441 L442 S443 H447 L448 I449 F472L415-I445 HydrophobicContact CD1-CG2 3.87Å; I422-I445 HydrophobicContact CD1-CD1 4.06Å; I422-I445 HydrophobicContact CG1-CD1 3.51Å; A441-I445 WeakPolarHBondContact O-CG1 3.14Å; A441-I445 PolarHBondContact O-N 3.16Å; L442-I445 WeakPolarHBondContact O-CB 3.48Å; L442-I445 PolarHBondContact O-N 3.41Å; S443-I445 VanDerWaalsContact C-N 3.34Å; S443-I445 PolarHBondContact O-N 3.02Å; I445-H447 VanDerWaalsContact C-N 3.28Å; I445-H447 PolarHBondContact O-N 3.49Å; I445-L448 PolarHBondContact O-N 2.95Å; I445-L448 VanDerWaalsContact O-N 3.15Å; I445-I449 HydrophobicContact CG2-CD1 3.88Å; I445-I449 HydrophobicContact CG2-CG1 4.47Å; I445-I449 WeakPolarHBondContact O-CG1 3.25Å; I445-I449 PolarHBondContact O-N 3.11Å; I445-F472 HydrophobicContact CB-CZ 4.44Å; I445-F472 HydrophobicContact CD1-CD2 4.1Å; I445-F472 HydrophobicContact CD1-CE2 3.68Å; I445-F472 HydrophobicContact CD1-CZ 4.18Å; I445-F472 HydrophobicContact CG2-CD1 4.13Å; I445-F472 HydrophobicContact CG2-CE1 3.77Å; I445-F472 HydrophobicContact CG2-CE2 4.28Å; I445-F472 HydrophobicContact CG2-CZ 3.84Å
446L98.7Very high96.1Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-63.1-36.2178.8-64.6-178.6000112.4L442 S443 I444 I449 C450 P485 L488 A489 T494 F505 V510 L514L442-L446 WeakPolarHBondContact O-CG 3.49Å; L442-L446 PolarHBondContact O-N 3.06Å; S443-L446 PolarHBondContact O-N 3.1Å; I444-L446 VanDerWaalsContact C-N 3.33Å; I444-L446 PolarHBondContact O-N 3.41Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 3.05Å; L446-C450 WeakPolarHBondContact O-CB 3.05Å; L446-C450 PolarHBondContact O-N 3.24Å; L446-P485 HydrophobicContact CD2-CB 4.34Å; L446-L488 HydrophobicContact CD1-CB 3.41Å; L446-L488 VanDerWaalsContact CD1-CB 3.41Å; L446-L488 HydrophobicContact CD1-CD1 4.5Å; L446-A489 HydrophobicContact CD1-CB 4.32Å; L446-T494 HydrophobicContact CD1-CG2 4.11Å; L446-F505 HydrophobicContact CB-CE1 4.03Å; L446-F505 HydrophobicContact CB-CZ 3.76Å; L446-V510 HydrophobicContact CD2-CG1 4.02Å; L446-L514 HydrophobicContact CD2-CD1 3.85Å; L446-L514 HydrophobicContact CD2-CD2 4.32Å
447H98.6Very high96.4Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-65.5-42.3173.3-7387.7000112.1S443 I444 I445 I449 C450 L451 T494 V497 V502 C503 F505S443-H447 PolarHBondContact O-N 3.43Å; S443-H447 VanDerWaalsContact O-N 3.09Å; S443-H447 PolarHBondContact O-ND1 3.29Å; I444-H447 WeakPolarHBondContact O-CB 3.44Å; I444-H447 PolarHBondContact O-N 2.94Å; I444-H447 VanDerWaalsContact O-N 3.17Å; I445-H447 VanDerWaalsContact C-N 3.28Å; I445-H447 PolarHBondContact O-N 3.49Å; H447-I449 VanDerWaalsContact C-N 3.33Å; H447-I449 PolarHBondContact O-N 3.37Å; H447-C450 WeakPolarHBondContact O-CB 3.46Å; H447-C450 PolarHBondContact O-N 3.38Å; H447-L451 VanDerWaalsContact O-CG 3.28Å; H447-L451 WeakPolarHBondContact O-CG 3.31Å; H447-L451 PolarHBondContact O-N 3.3Å; H447-T494 PolarHBondContact CE1-O 3Å; H447-V497 VanDerWaalsContact CE1-CG1 3.41Å; H447-V497 WeakPolarHBondContact CE1-CG1 3.24Å; H447-V502 HydrophobicContact CB-CB 4.41Å; H447-V502 HydrophobicContact CB-CG1 3.77Å; H447-V502 VanDerWaalsContact CD2-CB 3.47Å; H447-V502 WeakPolarHBondContact CD2-CB 3.48Å; H447-C503 PolarHBondContact CD2-N 3.27Å; H447-F505 AromaticContact CD2-CE2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.7Å; H447-F505 AromaticContact CG-CE2 3.97Å; H447-F505 AromaticContact ND1-CE2 3.92Å; H447-F505 AromaticContact NE2-CD2 3.99Å; H447-F505 AromaticContact NE2-CE2 3.58Å
448L98.5Very high96.6Very high0 Ų027 Ų270%015%0.147CC..Hα-helixtrans-62.3-40.9175.4-67.6169.4000111.5A387 F390 L411 I414 L415 S418 I444 I445 L451 L452A387-L448 HydrophobicContact CB-CD2 3.93Å; A387-L448 HydrophobicContact CB-CG 4.39Å; F390-L448 HydrophobicContact CD2-CD2 4.26Å; L411-L448 HydrophobicContact CD2-CD2 4.32Å; I414-L448 HydrophobicContact CG2-CD1 3.88Å; I414-L448 HydrophobicContact CG2-CD2 4.14Å; L415-L448 HydrophobicContact CD1-CB 4.34Å; S418-L448 VanDerWaalsContact OG-CD1 3.23Å; S418-L448 WeakPolarHBondContact OG-CD1 3.44Å; I444-L448 HydrophobicContact CG2-CD1 4.16Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.36Å; I444-L448 PolarHBondContact O-N 3.31Å; I445-L448 PolarHBondContact O-N 2.95Å; I445-L448 VanDerWaalsContact O-N 3.15Å; L448-L451 PolarHBondContact O-N 3.47Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 3.41Å
449I98.6Very high96.7Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-61-47.2173-66.4168000110.3L415 I445 L446 H447 L451 L452 E453 I469 V510 I513 L514L415-I449 HydrophobicContact CD1-CG1 4.07Å; L415-I449 HydrophobicContact CD2-CG1 4.25Å; I445-I449 HydrophobicContact CG2-CD1 3.88Å; I445-I449 HydrophobicContact CG2-CG1 4.47Å; I445-I449 WeakPolarHBondContact O-CG1 3.25Å; I445-I449 PolarHBondContact O-N 3.11Å; L446-I449 HydrophobicContact CD2-CD1 4.39Å; L446-I449 PolarHBondContact O-N 3.05Å; H447-I449 VanDerWaalsContact C-N 3.33Å; H447-I449 PolarHBondContact O-N 3.37Å; I449-L451 VanDerWaalsContact C-N 3.28Å; I449-L451 PolarHBondContact O-N 3.08Å; I449-L452 WeakPolarHBondContact O-CB 3.34Å; I449-L452 PolarHBondContact O-N 3.49Å; I449-L452 VanDerWaalsContact O-N 3.17Å; I449-E453 PolarHBondContact O-N 3.05Å; I449-E453 VanDerWaalsContact O-N 3.13Å; I449-I469 HydrophobicContact CD1-CD1 4.17Å; I449-I469 HydrophobicContact CD1-CG1 3.97Å; I449-I469 HydrophobicContact CG1-CD1 4.13Å; I449-I469 HydrophobicContact CG1-CG1 4.21Å; I449-I469 HydrophobicContact CG2-CD1 4.09Å; I449-V510 HydrophobicContact CG2-CG1 4.28Å; I449-V510 HydrophobicContact CG2-CG2 4.37Å; I449-I513 HydrophobicContact CG2-CG2 3.74Å; I449-L514 HydrophobicContact CD1-CD2 4.28Å
450C98.2Very high96.8Very high11 Ų1140.1 Ų40.17%0.07421%0.211CC..Hα-helixtrans-57-40.3175.81700000112.9L446 H447 C503 F505 V510L446-C450 WeakPolarHBondContact O-CB 3.05Å; L446-C450 PolarHBondContact O-N 3.24Å; H447-C450 WeakPolarHBondContact O-CB 3.46Å; H447-C450 PolarHBondContact O-N 3.38Å; C450-C503 HydrophobicContact CB-CB 3.71Å; C450-C503 WeakPolarHBondContact CB-SG 3.41Å; C450-C503 WeakPolarHBondContact SG-CB 3.34Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.47Å; C450-F505 HydrophobicContact CB-CZ 4.41Å; C450-V510 HydrophobicContact CB-CG2 3.6Å
451L97.2Very high96.9Very high1 Ų138.9 Ų38.91%0.00521%0.206CC..Hα-helixtrans-70.7-37.1177.9-65.8172.1000111.9A387 F390 L394 L411 H447 L448 I449 E453 K454 V502A387-L451 HydrophobicContact CB-CD1 4.46Å; A387-L451 WeakPolarHBondContact O-CD1 3.47Å; F390-L451 HydrophobicContact CB-CD1 4.01Å; L394-L451 HydrophobicContact CD1-CB 4.3Å; L394-L451 HydrophobicContact CD1-CD2 4Å; L411-L451 HydrophobicContact CD1-CB 4.41Å; L411-L451 HydrophobicContact CD2-CB 3.69Å; L411-L451 HydrophobicContact CD2-CD1 4.13Å; H447-L451 VanDerWaalsContact O-CG 3.28Å; H447-L451 WeakPolarHBondContact O-CG 3.31Å; H447-L451 PolarHBondContact O-N 3.3Å; L448-L451 PolarHBondContact O-N 3.47Å; I449-L451 VanDerWaalsContact C-N 3.28Å; I449-L451 PolarHBondContact O-N 3.08Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.39Å; L451-K454 WeakPolarHBondContact O-CB 3.46Å; L451-K454 PolarHBondContact O-N 2.87Å; L451-V502 HydrophobicContact CD1-CG1 3.8Å; L451-V502 HydrophobicContact CD2-CG1 4.33Å; L451-V502 HydrophobicContact CG-CG1 4.21Å
452L97.1Very high97Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..Hα-helixtrans-60.5-37.8174.7-82.3164.3000112.4F408 L411 M412 L415 L448 I449 K454 V455 K465F408-L452 HydrophobicContact CD2-CD2 3.72Å; F408-L452 HydrophobicContact CE2-CD2 3.79Å; F408-L452 HydrophobicContact CG-CD2 4.47Å; L411-L452 HydrophobicContact CB-CD2 3.49Å; L411-L452 VanDerWaalsContact CB-CD2 3.49Å; L411-L452 HydrophobicContact CB-CG 3.87Å; L411-L452 HydrophobicContact CD1-CD2 4.3Å; L411-L452 HydrophobicContact CG-CD2 4.47Å; M412-L452 HydrophobicContact CB-CD2 4.44Å; M412-L452 HydrophobicContact SD-CD1 4.24Å; L415-L452 HydrophobicContact CB-CD1 4.27Å; L415-L452 HydrophobicContact CD2-CD1 3.51Å; L415-L452 HydrophobicContact CG-CD1 4.48Å; L448-L452 WeakPolarHBondContact O-CG 3.3Å; L448-L452 PolarHBondContact O-N 3.41Å; I449-L452 WeakPolarHBondContact O-CB 3.34Å; I449-L452 PolarHBondContact O-N 3.49Å; I449-L452 VanDerWaalsContact O-N 3.17Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-K454 VanDerWaalsContact O-N 3.12Å; L452-V455 PolarHBondContact O-N 3.04Å; L452-V455 VanDerWaalsContact O-N 3.1Å; L452-K465 HydrophobicContact CB-CD 4.22Å; L452-K465 HydrophobicContact CD1-CG 4.47Å
453E95.2Very high97Very high75 Ų7545.7 Ų45.735%0.3524%0.238SC..THydrogen-bonded Turntrans-64.9-13.3175.7-66.3-58.2100.600113.5I449 L451 K465 I513I449-E453 PolarHBondContact O-N 3.05Å; I449-E453 VanDerWaalsContact O-N 3.13Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.39Å; E453-K465 IonicContact OE1-NZ 3.84Å; E453-K465 PolarHBondContact OE1-NZ 3.48Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.47Å
454K93.1Very high97Very high117 Ų11749.7 Ų49.751%0.50926%0.255SS..THydrogen-bonded Turntrans-96.2-2.1177.5-60.3174.7-175.1175.90113.2L394 L451 L452 C503L394-K454 HydrophobicContact CD1-CB 4.3Å; L451-K454 WeakPolarHBondContact O-CB 3.46Å; L451-K454 PolarHBondContact O-N 2.87Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-K454 VanDerWaalsContact O-N 3.12Å; K454-C503 PolarHBondContact NZ-SG 3.19Å
455V93.2Very high97Very high12 Ų1249.9 Ų49.97%0.07326%0.256CS..SBendtrans-113.5133.9-176.2178.60000109.5L394 F408 L411 L452 C457L394-V455 HydrophobicContact CD1-CG2 4.07Å; L394-V455 HydrophobicContact CD2-CG2 3.69Å; L394-V455 HydrophobicContact CG-CG2 4.49Å; F408-V455 HydrophobicContact CB-CG1 4.28Å; L411-V455 HydrophobicContact CD1-CB 4.38Å; L411-V455 HydrophobicContact CD1-CG2 3.59Å; L452-V455 PolarHBondContact O-N 3.04Å; L452-V455 VanDerWaalsContact O-N 3.1Å; V455-C457 PolarHBondContact O-N 3.18Å
456P92.1Very high97Very high94 Ų9452.2 Ų52.261%0.6127%0.265SS*.  trans-62.7138.2175.827.2-35.2000110.6
457C94.9Very high97Very high47 Ų4757 Ų5732%0.31829%0.288SS..  trans-137153.117765.30000111.2F408 V455 Q461F408-C457 HydrophobicContact CD2-CB 3.51Å; F408-C457 HydrophobicContact CE2-CB 3.84Å; F408-C457 HydrophobicContact CG-CB 4.16Å; V455-C457 PolarHBondContact O-N 3.18Å; C457-Q461 HydrophobicContact CB-CB 3.84Å
458T97.5Very high97Very high79 Ų7957.1 Ų57.149%0.48529%0.289SS..  trans-73.4168170.666.60000110.8E460 Q461 D462T458-E460 VanDerWaalsContact C-N 3.27Å; T458-E460 PolarHBondContact O-N 3.38Å; T458-Q461 PolarHBondContact O-N 3.23Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.41Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.5Å; T458-Q461 PolarHBondContact OG1-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-N 3.16Å; T458-Q461 PolarHBondContact OG1-OE1 3.37Å; T458-D462 PolarHBondContact O-N 3.16Å
459L97.4Very high97Very high160 Ų16057.1 Ų57.184%0.83829%0.289SS*.Hα-helixtrans-60-38174.4-67.5174.7000112.3D462 H463L459-D462 PolarHBondContact O-N 3.19Å; L459-H463 WeakPolarHBondContact O-CB 3.42Å; L459-H463 PolarHBondContact O-N 3.35Å
460E98Very high97Very high162 Ų16263 Ų6376%0.75731%0.312SS*.Hα-helixtrans-66.7-43.4176.7-174.6178.2-176.900111.6T458 H463 F464T458-E460 VanDerWaalsContact C-N 3.27Å; T458-E460 PolarHBondContact O-N 3.38Å; E460-H463 PolarHBondContact O-N 2.85Å; E460-F464 PolarHBondContact O-N 2.83Å
461Q98.2Very high97Very high43 Ų4367.4 Ų67.420%0.20133%0.327CS..Hα-helixtrans-63.6-42.7174.8-77.2175.8-30.300111.8F408 D409 C457 T458 H463 F464 K465F408-Q461 HydrophobicContact CD1-CB 3.77Å; F408-Q461 VanDerWaalsContact CD1-CD 3.45Å; F408-Q461 HydrophobicContact CD1-CG 3.55Å; F408-Q461 HydrophobicContact CD2-CB 4.32Å; F408-Q461 HydrophobicContact CE1-CB 3.48Å; F408-Q461 VanDerWaalsContact CE1-CB 3.48Å; F408-Q461 HydrophobicContact CE1-CG 3.57Å; F408-Q461 HydrophobicContact CE2-CB 4.04Å; F408-Q461 HydrophobicContact CG-CB 4.19Å; F408-Q461 HydrophobicContact CG-CG 4.23Å; F408-Q461 HydrophobicContact CZ-CB 3.63Å; F408-Q461 HydrophobicContact CZ-CG 4.25Å; F408-Q461 WeakPolarHBondContact CZ-O 3.45Å; D409-Q461 PolarHBondContact OD1-NE2 2.9Å; C457-Q461 HydrophobicContact CB-CB 3.84Å; T458-Q461 PolarHBondContact O-N 3.23Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.41Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.5Å; T458-Q461 PolarHBondContact OG1-N 3.37Å; T458-Q461 VanDerWaalsContact OG1-N 3.16Å; T458-Q461 PolarHBondContact OG1-OE1 3.37Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.09Å; Q461-F464 PolarHBondContact O-N 3.45Å; Q461-K465 WeakPolarHBondContact O-CB 3.45Å; Q461-K465 PolarHBondContact O-N 3.23Å
462D98Very high97.1Very high36 Ų3667.4 Ų67.419%0.19333%0.327CS..Hα-helixtrans-60.9-43.2175.3-17363.2000111.5T458 L459 F464 K465 K466T458-D462 PolarHBondContact O-N 3.16Å; L459-D462 PolarHBondContact O-N 3.19Å; D462-F464 PolarHBondContact O-N 3.2Å; D462-K465 WeakPolarHBondContact O-CB 3.46Å; D462-K465 PolarHBondContact O-N 3.34Å; D462-K465 WeakPolarHBondContact OD1-CE 3.48Å; D462-K465 IonicContact OD1-NZ 2.75Å; D462-K465 PolarHBondContact OD1-NZ 3.34Å; D462-K466 WeakPolarHBondContact O-CG 3.29Å; D462-K466 PolarHBondContact O-N 3.06Å; D462-K466 WeakPolarHBondContact OD2-CE 3.41Å; D462-K466 IonicContact OD2-NZ 2.75Å; D462-K466 PolarHBondContact OD2-NZ 3.27Å
463H98.1Very high97.1Very high112 Ų11268.3 Ų68.352%0.51933%0.332SS..Hα-helixtrans-60.6-46.1175.1-172.869.7000111.9L459 E460 Q461 K465 K466 Q467L459-H463 WeakPolarHBondContact O-CB 3.42Å; L459-H463 PolarHBondContact O-N 3.35Å; E460-H463 PolarHBondContact O-N 2.85Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.09Å; H463-K465 PolarHBondContact O-N 2.64Å; H463-K466 PolarHBondContact O-N 3.19Å; H463-Q467 PolarHBondContact CD2-NE2 3.44Å; H463-Q467 VanDerWaalsContact CD2-NE2 3.32Å; H463-Q467 PolarHBondContact NE2-NE2 2.93Å; H463-Q467 WeakPolarHBondContact O-CG 3.43Å; H463-Q467 PolarHBondContact O-N 3.08Å
464F98.4Very high97.2Very high91 Ų9171.1 Ų71.140%0.39934%0.343SS..Hα-helixtrans-63.5-40.2178.1178.5-124.2000113M412 E460 Q461 D462 Q467 T468M412-F464 HydrophobicContact CE-CD1 4.13Å; M412-F464 HydrophobicContact CE-CE1 3.84Å; M412-F464 HydrophobicContact CE-CZ 4.29Å; M412-F464 HydrophobicContact CG-CD1 3.71Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.2Å; M412-F464 HydrophobicContact SD-CE1 4.27Å; E460-F464 PolarHBondContact O-N 2.83Å; Q461-F464 PolarHBondContact O-N 3.45Å; D462-F464 PolarHBondContact O-N 3.2Å; F464-Q467 PolarHBondContact O-N 3.16Å; F464-T468 PolarHBondContact O-N 3.42Å; F464-T468 PolarHBondContact O-OG1 3.17Å
465K98.3Very high97.4Very high6 Ų667.7 Ų67.73%0.02633%0.33CS..Hα-helixtrans-56.6-51.8171.3173.7-174621780110.5F408 M412 L452 E453 Q461 D462 H463 Q467 T468 I469 I513F408-K465 HydrophobicContact CE2-CB 4.21Å; F408-K465 HydrophobicContact CE2-CD 4.48Å; F408-K465 HydrophobicContact CZ-CB 4.05Å; M412-K465 HydrophobicContact SD-CB 4.11Å; L452-K465 HydrophobicContact CB-CD 4.22Å; L452-K465 HydrophobicContact CD1-CG 4.47Å; E453-K465 IonicContact OE1-NZ 3.84Å; E453-K465 PolarHBondContact OE1-NZ 3.48Å; Q461-K465 WeakPolarHBondContact O-CB 3.45Å; Q461-K465 PolarHBondContact O-N 3.23Å; D462-K465 WeakPolarHBondContact O-CB 3.46Å; D462-K465 PolarHBondContact O-N 3.34Å; D462-K465 WeakPolarHBondContact OD1-CE 3.48Å; D462-K465 IonicContact OD1-NZ 2.75Å; D462-K465 PolarHBondContact OD1-NZ 3.34Å; H463-K465 PolarHBondContact O-N 2.64Å; K465-Q467 PolarHBondContact O-N 2.95Å; K465-T468 PolarHBondContact O-N 2.89Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K465-I469 HydrophobicContact CG-CD1 3.9Å; K465-I469 WeakPolarHBondContact O-CG1 3.22Å; K465-I469 PolarHBondContact O-N 2.99Å; K465-I513 HydrophobicContact CD-CD1 3.97Å; K465-I513 HydrophobicContact CG-CD1 4.39Å
466K98.6Very high97.4Very high49 Ų4973.5 Ų73.521%0.21336%0.356CS..Hα-helixtrans-62.5-41.3180-71.8175.1179.2171.20112.7D462 H463 T468 I469 Y470 I513 E516D462-K466 WeakPolarHBondContact O-CG 3.29Å; D462-K466 PolarHBondContact O-N 3.06Å; D462-K466 WeakPolarHBondContact OD2-CE 3.41Å; D462-K466 IonicContact OD2-NZ 2.75Å; D462-K466 PolarHBondContact OD2-NZ 3.27Å; H463-K466 PolarHBondContact O-N 3.19Å; K466-T468 VanDerWaalsContact C-N 3.31Å; K466-T468 PolarHBondContact O-N 3.09Å; K466-I469 PolarHBondContact O-N 3.26Å; K466-Y470 WeakPolarHBondContact O-CB 3.42Å; K466-Y470 PolarHBondContact O-N 2.89Å; K466-I513 HydrophobicContact CG-CD1 4.5Å; K466-E516 VanDerWaalsContact CE-CD 3.44Å; K466-E516 WeakPolarHBondContact CE-OE1 3.3Å; K466-E516 VanDerWaalsContact CE-OE2 3.26Å; K466-E516 WeakPolarHBondContact CE-OE2 3.3Å; K466-E516 VanDerWaalsContact NZ-CD 3.32Å; K466-E516 IonicContact NZ-OE1 3.48Å; K466-E516 PolarHBondContact NZ-OE1 2.96Å; K466-E516 IonicContact NZ-OE2 2.67Å; K466-E516 PolarHBondContact NZ-OE2 3.35Å
467Q98.4Very high97.5Very high100 Ų10069.2 Ų69.247%0.46733%0.328SS..Hα-helixtrans-59-42.1173.3-74.7-175.9-9.600112.3H463 F464 K465 Y470 R471H463-Q467 PolarHBondContact CD2-NE2 3.44Å; H463-Q467 VanDerWaalsContact CD2-NE2 3.32Å; H463-Q467 PolarHBondContact NE2-NE2 2.93Å; H463-Q467 WeakPolarHBondContact O-CG 3.43Å; H463-Q467 PolarHBondContact O-N 3.08Å; F464-Q467 PolarHBondContact O-N 3.16Å; K465-Q467 PolarHBondContact O-N 2.95Å; Q467-Y470 PolarHBondContact O-N 3.28Å; Q467-R471 WeakPolarHBondContact O-CB 3.46Å; Q467-R471 PolarHBondContact O-N 3.04Å
468T98.6Very high97.5Very high3 Ų370.5 Ų70.52%0.01833%0.326CS..Hα-helixtrans-68.4-40.9179.2-58.50000111.7M412 L415 V419 F464 K465 K466 R471 F472M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.6Å; M412-T468 WeakPolarHBondContact CE-OG1 3.26Å; L415-T468 HydrophobicContact CD2-CG2 4.39Å; L415-T468 HydrophobicContact CG-CG2 4.31Å; V419-T468 HydrophobicContact CG2-CG2 4.12Å; F464-T468 PolarHBondContact O-N 3.42Å; F464-T468 PolarHBondContact O-OG1 3.17Å; K465-T468 PolarHBondContact O-N 2.89Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K466-T468 VanDerWaalsContact C-N 3.31Å; K466-T468 PolarHBondContact O-N 3.09Å; T468-R471 PolarHBondContact O-N 2.65Å; T468-F472 WeakPolarHBondContact O-CB 3.46Å; T468-F472 PolarHBondContact O-N 3.43Å
469I98.6Very high97.2Very high1 Ų167 Ų671%0.00531%0.306CS..Hα-helixtrans-65.2-43.2175.2-64.5169.7000110.6I449 K465 K466 R471 F472 L473 I513 L514 C517I449-I469 HydrophobicContact CD1-CD1 4.17Å; I449-I469 HydrophobicContact CD1-CG1 3.97Å; I449-I469 HydrophobicContact CG1-CD1 4.13Å; I449-I469 HydrophobicContact CG1-CG1 4.21Å; I449-I469 HydrophobicContact CG2-CD1 4.09Å; K465-I469 HydrophobicContact CG-CD1 3.9Å; K465-I469 WeakPolarHBondContact O-CG1 3.22Å; K465-I469 PolarHBondContact O-N 2.99Å; K466-I469 PolarHBondContact O-N 3.26Å; I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 2.89Å; I469-F472 WeakPolarHBondContact O-CB 3.43Å; I469-F472 PolarHBondContact O-N 2.92Å; I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.38Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 2.9Å; I469-I513 HydrophobicContact CD1-CD1 3.62Å; I469-I513 HydrophobicContact CD1-CG1 3.9Å; I469-L514 HydrophobicContact CG2-CD2 3.86Å; I469-C517 HydrophobicContact CB-CB 4.09Å; I469-C517 HydrophobicContact CG2-CB 3.56Å
470Y98.6Very high97Very high123 Ų12365.1 Ų65.148%0.48229%0.291SS..Hα-helixtrans-58.9-45.9173.8173.9-96.2000111.5K466 Q467 F472 L473 K474 C517K466-Y470 WeakPolarHBondContact O-CB 3.42Å; K466-Y470 PolarHBondContact O-N 2.89Å; Q467-Y470 PolarHBondContact O-N 3.28Å; Y470-F472 VanDerWaalsContact C-N 3.31Å; Y470-F472 PolarHBondContact O-N 3.1Å; Y470-L473 PolarHBondContact O-N 3.29Å; Y470-K474 HydrophobicContact CE1-CD 4.17Å; Y470-K474 WeakPolarHBondContact O-CB 3.41Å; Y470-K474 PolarHBondContact O-N 3.44Å; Y470-C517 WeakPolarHBondContact CD2-O 3.42Å
471R98.2Very high96.7Very high104 Ų10461.2 Ų61.239%0.39228%0.275SS..Hα-helixtrans-58.3-44.6176.2-169.4177.685.6-1594.5111.4E423 Q467 T468 I469 K474E423-R471 IonicContact OE1-CZ 2.81Å; E423-R471 VanDerWaalsContact OE1-CZ 3.28Å; E423-R471 IonicContact OE1-NE 3.71Å; E423-R471 PolarHBondContact OE1-NE 2.71Å; E423-R471 IonicContact OE1-NH2 3.53Å; E423-R471 PolarHBondContact OE1-NH2 2.9Å; Q467-R471 WeakPolarHBondContact O-CB 3.46Å; Q467-R471 PolarHBondContact O-N 3.04Å; T468-R471 PolarHBondContact O-N 2.65Å; I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 2.89Å; R471-K474 PolarHBondContact O-N 3.31Å
472F98.3Very high96.5Very high1 Ų162.4 Ų62.40%0.00428%0.283CS..Hα-helixtrans-59.3-46.9174.5163.8-120.2000112.6V419 I422 L442 I445 T468 I469 Y470 K474 L475 P477 P485V419-F472 HydrophobicContact CB-CB 4.5Å; V419-F472 HydrophobicContact CG1-CB 3.88Å; V419-F472 HydrophobicContact CG2-CB 3.78Å; V419-F472 HydrophobicContact CG2-CD2 4.35Å; V419-F472 HydrophobicContact CG2-CG 4.2Å; I422-F472 HydrophobicContact CG1-CE2 4.25Å; L442-F472 HydrophobicContact CD2-CE2 3.51Å; L442-F472 HydrophobicContact CD2-CZ 3.65Å; I445-F472 HydrophobicContact CB-CZ 4.44Å; I445-F472 HydrophobicContact CD1-CD2 4.1Å; I445-F472 HydrophobicContact CD1-CE2 3.68Å; I445-F472 HydrophobicContact CD1-CZ 4.18Å; I445-F472 HydrophobicContact CG2-CD1 4.13Å; I445-F472 HydrophobicContact CG2-CE1 3.77Å; I445-F472 HydrophobicContact CG2-CE2 4.28Å; I445-F472 HydrophobicContact CG2-CZ 3.84Å; T468-F472 WeakPolarHBondContact O-CB 3.46Å; T468-F472 PolarHBondContact O-N 3.43Å; I469-F472 WeakPolarHBondContact O-CB 3.43Å; I469-F472 PolarHBondContact O-N 2.92Å; Y470-F472 VanDerWaalsContact C-N 3.31Å; Y470-F472 PolarHBondContact O-N 3.1Å; F472-K474 VanDerWaalsContact C-N 3.34Å; F472-K474 PolarHBondContact O-N 3.36Å; F472-L475 WeakPolarHBondContact O-CB 3.28Å; F472-L475 PolarHBondContact O-N 3.23Å; F472-P477 HydrophobicContact CD2-CG 4.3Å; F472-P477 HydrophobicContact CE2-CG 3.7Å; F472-P477 HydrophobicContact CZ-CG 4.1Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.71Å; F472-P485 HydrophobicContact CE2-CG 4.43Å; F472-P485 HydrophobicContact CZ-CB 3.98Å; F472-P485 HydrophobicContact CZ-CG 3.52Å
473L98.3Very high96.5Very high20 Ų2061.7 Ų61.711%0.10528%0.278CS..Hα-helixtrans-66.5-35.2-179.7-72170.6000112.7I469 Y470 L475 H476 P485 L514 C517 A519I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.38Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 2.9Å; Y470-L473 PolarHBondContact O-N 3.29Å; L473-L475 PolarHBondContact O-N 3.13Å; L473-H476 PolarHBondContact O-N 3.47Å; L473-P485 HydrophobicContact CD2-CB 4.05Å; L473-P485 HydrophobicContact CD2-CG 4.07Å; L473-L514 HydrophobicContact CD1-CD2 4.29Å; L473-L514 WeakPolarHBondContact CD1-O 3.49Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; L473-C517 HydrophobicContact CD1-CB 3.88Å; L473-C517 WeakPolarHBondContact CD1-O 3.36Å; L473-A519 HydrophobicContact CD1-CB 3.98Å; L473-A519 HydrophobicContact CD2-CB 4.09Å
474K97.3Very high96.5Very high134 Ų13456.6 Ų56.658%0.58326%0.255SS*.Hα-helixtrans-63.9-18.6177.1-170.6173.7-179.4176.40113.6Y470 R471 F472 H476Y470-K474 HydrophobicContact CE1-CD 4.17Å; Y470-K474 WeakPolarHBondContact O-CB 3.41Å; Y470-K474 PolarHBondContact O-N 3.44Å; R471-K474 PolarHBondContact O-N 3.31Å; F472-K474 VanDerWaalsContact C-N 3.34Å; F472-K474 PolarHBondContact O-N 3.36Å; K474-H476 PolarHBondContact O-CD2 3.49Å; K474-H476 PolarHBondContact O-N 2.85Å
475L95.8Very high96.4Very high45 Ų4552.5 Ų52.524%0.23624%0.237CC..THydrogen-bonded Turntrans-72.3-9.2172.2-59.4171.1000112.7V419 I422 E423 I426 F472 L473 P477V419-L475 HydrophobicContact CG1-CD1 4.48Å; I422-L475 HydrophobicContact CB-CD1 4.2Å; I422-L475 HydrophobicContact CG2-CD1 3.84Å; E423-L475 HydrophobicContact CB-CD1 4.47Å; E423-L475 HydrophobicContact CG-CD1 3.49Å; E423-L475 VanDerWaalsContact CG-CD1 3.49Å; E423-L475 HydrophobicContact CG-CD2 4Å; E423-L475 HydrophobicContact CG-CG 4.35Å; I426-L475 HydrophobicContact CD1-CB 3.62Å; I426-L475 HydrophobicContact CD1-CD1 4.48Å; I426-L475 HydrophobicContact CD1-CG 4.42Å; F472-L475 WeakPolarHBondContact O-CB 3.28Å; F472-L475 PolarHBondContact O-N 3.23Å; L473-L475 PolarHBondContact O-N 3.13Å; L475-P477 VanDerWaalsContact C-CD 3.46Å; L475-P477 VanDerWaalsContact C-N 3.32Å
476H95Very high96.5Very high133 Ų13352.3 Ų52.362%0.61624%0.237SC*.  trans47.346.5-174.9-56.7-69000113.8L473 K474 R478L473-H476 PolarHBondContact O-N 3.47Å; K474-H476 PolarHBondContact O-CD2 3.49Å; K474-H476 PolarHBondContact O-N 2.85Å; H476-R478 PolarHBondContact O-NH1 2.82Å; H476-R478 VanDerWaalsContact O-NH1 3.15Å
477P94.4Very high96.5Very high4 Ų450 Ų503%0.02623%0.226CC..  trans-65.1148.2-175.429.6-34.7000111.3I422 L442 F472 L475 P485I422-P477 HydrophobicContact CG2-CB 4.04Å; L442-P477 HydrophobicContact CD1-CB 4.19Å; L442-P477 HydrophobicContact CD2-CB 3.61Å; L442-P477 HydrophobicContact CD2-CG 3.8Å; F472-P477 HydrophobicContact CD2-CG 4.3Å; F472-P477 HydrophobicContact CE2-CG 3.7Å; F472-P477 HydrophobicContact CZ-CG 4.1Å; L475-P477 VanDerWaalsContact C-CD 3.46Å; L475-P477 VanDerWaalsContact C-N 3.32Å; P477-P485 HydrophobicContact CG-CG 3.74Å
478R93.9Very high96.4Very high75 Ų7545.4 Ų45.428%0.28321%0.205SC..  trans-134.1118.3-178.9-66-64.8-173.5-82.5-3.1110.1L438 H476 N482 F483L438-R478 WeakPolarHBondContact CD2-O 3.49Å; H476-R478 PolarHBondContact O-NH1 2.82Å; H476-R478 VanDerWaalsContact O-NH1 3.15Å; R478-N482 VanDerWaalsContact CB-OD1 3.26Å; R478-N482 WeakPolarHBondContact CB-OD1 3.46Å; R478-N482 WeakPolarHBondContact CD-O 3.33Å; R478-N482 VanDerWaalsContact CD-OD1 3.22Å; R478-N482 WeakPolarHBondContact CD-OD1 3.36Å; R478-N482 WeakPolarHBondContact CG-OD1 3.45Å; R478-F483 CarbonylContact C-O 3.46Å; R478-F483 WeakPolarHBondContact CA-O 3.46Å
479G92.1Very high96.4Very high6 Ų645.2 Ų45.26%0.06220%0.204CC..  trans-86.5-15017900000112.7N482 F483G479-N482 PolarHBondContact O-N 2.91Å; G479-F483 PolarHBondContact N-O 3.35Å
480K91.9Very high96.4Very high119 Ų11945.2 Ų45.252%0.51720%0.204SC..G310 helixtrans-61.3144.7175.1-175-179.8176.4-174.40109.5N439 N482 F483N439-K480 HydrophobicContact CB-CB 4.01Å; N439-K480 WeakPolarHBondContact OD1-CB 3.15Å; N439-K480 PolarHBondContact OD1-N 3.18Å; K480-N482 PolarHBondContact O-N 2.96Å; K480-N482 VanDerWaalsContact O-N 3.11Å; K480-F483 WeakPolarHBondContact O-CB 3.17Å; K480-F483 PolarHBondContact O-N 3.07Å
481N92.1Very high96.3Very high80 Ų8040.1 Ų40.143%0.42819%0.185SC..G310 helixtrans55.723.5-176.3-620.4000114F483 D525 S526N481-F483 HydrophobicContact CB-CD1 3.83Å; N481-F483 HydrophobicContact CB-CE1 3.88Å; N481-F483 PolarHBondContact O-N 3.36Å; N481-D525 WeakPolarHBondContact O-CB 3.38Å; N481-S526 PolarHBondContact O-N 3.37Å; N481-S526 PolarHBondContact O-OG 2.91Å
482N94.5Very high96.2Very high68 Ų6840.8 Ų40.836%0.36419%0.191SC..G310 helixtrans63.126.3-174.9-154.631.2000113.2R478 G479 K480 S484 S526R478-N482 VanDerWaalsContact CB-OD1 3.26Å; R478-N482 WeakPolarHBondContact CB-OD1 3.46Å; R478-N482 WeakPolarHBondContact CD-O 3.33Å; R478-N482 VanDerWaalsContact CD-OD1 3.22Å; R478-N482 WeakPolarHBondContact CD-OD1 3.36Å; R478-N482 WeakPolarHBondContact CG-OD1 3.45Å; G479-N482 PolarHBondContact O-N 2.91Å; K480-N482 PolarHBondContact O-N 2.96Å; K480-N482 VanDerWaalsContact O-N 3.11Å; N482-S484 PolarHBondContact O-N 2.8Å; N482-S526 WeakPolarHBondContact CB-OG 3.23Å
483F96.7Very high96Very high22 Ų2245.9 Ų45.910%0.09622%0.218CC..  trans-65.5130.3177.9-8528.8000110.9R478 G479 K480 N481 H487 L488 D491 D525 I534R478-F483 CarbonylContact C-O 3.46Å; R478-F483 WeakPolarHBondContact CA-O 3.46Å; G479-F483 PolarHBondContact N-O 3.35Å; K480-F483 WeakPolarHBondContact O-CB 3.17Å; K480-F483 PolarHBondContact O-N 3.07Å; N481-F483 HydrophobicContact CB-CD1 3.83Å; N481-F483 HydrophobicContact CB-CE1 3.88Å; N481-F483 PolarHBondContact O-N 3.36Å; F483-H487 HydrophobicContact CB-CB 3.9Å; F483-H487 HydrophobicContact CD1-CB 4.36Å; F483-H487 HydrophobicContact CD2-CB 3.74Å; F483-H487 HydrophobicContact CE2-CB 4.33Å; F483-H487 HydrophobicContact CG-CB 3.76Å; F483-L488 HydrophobicContact CB-CD2 4.19Å; F483-L488 HydrophobicContact CB-CG 4.06Å; F483-L488 HydrophobicContact CD2-CD2 3.83Å; F483-L488 HydrophobicContact CD2-CG 4.24Å; F483-L488 HydrophobicContact CG-CD2 4.5Å; F483-D491 HydrophobicContact CE2-CB 4.17Å; F483-D525 HydrophobicContact CD1-CB 3.85Å; F483-D525 HydrophobicContact CE1-CB 4Å; F483-D525 VanDerWaalsContact CE1-OD2 3.23Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.37Å; F483-I534 HydrophobicContact CZ-CD1 4.05Å; F483-I534 HydrophobicContact CZ-CG1 4.36Å
484S97.6Very high95.9Very high5 Ų545.1 Ų45.14%0.03521%0.214CC..  trans-77.8166.2167.572.90000110.8N482 L486 H487 L488 V523N482-S484 PolarHBondContact O-N 2.8Å; S484-L486 PolarHBondContact O-N 3.38Å; S484-L486 VanDerWaalsContact O-N 3.16Å; S484-L486 PolarHBondContact OG-N 3.1Å; S484-H487 PolarHBondContact N-ND1 3.01Å; S484-H487 WeakPolarHBondContact O-CB 3.48Å; S484-H487 PolarHBondContact O-N 2.84Å; S484-H487 VanDerWaalsContact O-N 3.09Å; S484-H487 PolarHBondContact OG-N 3.44Å; S484-H487 PolarHBondContact OG-ND1 3.28Å; S484-L488 PolarHBondContact O-N 3.5Å; S484-V523 WeakPolarHBondContact OG-CG1 3.27Å
485P98.3Very high95.8Very high4 Ų440.5 Ų40.53%0.02620%0.198CC..Hα-helixtrans-54.4-32.4171.6-28.737.4000113.4L446 F472 L473 P477 L488 A489 L514L446-P485 HydrophobicContact CD2-CB 4.34Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.71Å; F472-P485 HydrophobicContact CE2-CG 4.43Å; F472-P485 HydrophobicContact CZ-CB 3.98Å; F472-P485 HydrophobicContact CZ-CG 3.52Å; L473-P485 HydrophobicContact CD2-CB 4.05Å; L473-P485 HydrophobicContact CD2-CG 4.07Å; P477-P485 HydrophobicContact CG-CG 3.74Å; P485-L488 PolarHBondContact O-N 3.48Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.41Å; P485-L514 HydrophobicContact CB-CD1 4.47Å
486L98.5Very high95.6Very high2 Ų243.6 Ų43.61%0.0122%0.222CC..Hα-helixtrans-72.2-39.5177.5-169.958.6000112.1S484 L488 A489 V490 T511 L514 I515 A519 V521 P531 L547S484-L486 PolarHBondContact O-N 3.38Å; S484-L486 VanDerWaalsContact O-N 3.16Å; S484-L486 PolarHBondContact OG-N 3.1Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-A489 PolarHBondContact O-N 3.44Å; L486-V490 WeakPolarHBondContact O-CG2 3.22Å; L486-V490 PolarHBondContact O-N 3.41Å; L486-T511 HydrophobicContact CD1-CG2 3.82Å; L486-L514 HydrophobicContact CD1-CB 4.3Å; L486-L514 HydrophobicContact CD1-CD1 4.36Å; L486-I515 HydrophobicContact CD1-CG1 4.12Å; L486-I515 HydrophobicContact CD2-CG1 4.3Å; L486-A519 HydrophobicContact CB-CB 4.27Å; L486-A519 HydrophobicContact CD2-CB 4.08Å; L486-V521 HydrophobicContact CD2-CG1 4.19Å; L486-P531 HydrophobicContact CB-CG 4.22Å; L486-P531 HydrophobicContact CD2-CB 4.15Å; L486-P531 HydrophobicContact CD2-CG 3.84Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.85Å; L486-L547 HydrophobicContact CD1-CD2 4.5Å; L486-L547 HydrophobicContact CD2-CD2 4.09Å; L486-L547 HydrophobicContact CG-CD2 4.46Å
487H98.5Very high95.4Very high0 Ų038.3 Ų38.30%020%0.199CC..Hα-helixtrans-58.9-46171-73107.2000111.5F483 S484 A489 V490 D491 V523 N529 S530 P531F483-H487 HydrophobicContact CB-CB 3.9Å; F483-H487 HydrophobicContact CD1-CB 4.36Å; F483-H487 HydrophobicContact CD2-CB 3.74Å; F483-H487 HydrophobicContact CE2-CB 4.33Å; F483-H487 HydrophobicContact CG-CB 3.76Å; S484-H487 PolarHBondContact N-ND1 3.01Å; S484-H487 WeakPolarHBondContact O-CB 3.48Å; S484-H487 PolarHBondContact O-N 2.84Å; S484-H487 VanDerWaalsContact O-N 3.09Å; S484-H487 PolarHBondContact OG-N 3.44Å; S484-H487 PolarHBondContact OG-ND1 3.28Å; H487-A489 PolarHBondContact O-N 3.37Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.11Å; H487-V490 PolarHBondContact O-N 2.95Å; H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.16Å; H487-V523 PolarHBondContact CE1-O 3.44Å; H487-N529 PolarHBondContact NE2-O 3.28Å; H487-N529 VanDerWaalsContact NE2-O 3.08Å; H487-S530 VanDerWaalsContact NE2-C 3.27Å; H487-P531 WeakPolarHBondContact NE2-CD 3.46Å
488L97.9Very high95.2Very high4 Ų439.9 Ų39.92%0.02122%0.216CC..Hα-helixtrans-64.1-40.1178.3-69.6170000112L442 L446 F483 S484 P485 L486 V490 D491 T494L442-L488 HydrophobicContact CB-CD1 3.58Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.48Å; L446-L488 HydrophobicContact CD1-CB 3.41Å; L446-L488 VanDerWaalsContact CD1-CB 3.41Å; L446-L488 HydrophobicContact CD1-CD1 4.5Å; F483-L488 HydrophobicContact CB-CD2 4.19Å; F483-L488 HydrophobicContact CB-CG 4.06Å; F483-L488 HydrophobicContact CD2-CD2 3.83Å; F483-L488 HydrophobicContact CD2-CG 4.24Å; F483-L488 HydrophobicContact CG-CD2 4.5Å; S484-L488 PolarHBondContact O-N 3.5Å; P485-L488 PolarHBondContact O-N 3.48Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L488-V490 PolarHBondContact O-N 3.14Å; L488-V490 VanDerWaalsContact O-N 3.17Å; L488-D491 PolarHBondContact O-N 3.24Å; L488-T494 WeakPolarHBondContact CA-OG1 3.45Å; L488-T494 HydrophobicContact CB-CG2 4.37Å; L488-T494 WeakPolarHBondContact O-CB 3.46Å; L488-T494 PolarHBondContact O-OG1 3.47Å
489A98.4Very high94.8Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-62.9-21.9178.300000113.6L446 P485 L486 H487 P506 S507 V510 L514L446-A489 HydrophobicContact CD1-CB 4.32Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.41Å; L486-A489 PolarHBondContact O-N 3.44Å; H487-A489 PolarHBondContact O-N 3.37Å; A489-P506 WeakPolarHBondContact O-CA 3.3Å; A489-S507 PolarHBondContact O-N 2.7Å; A489-V510 HydrophobicContact CB-CG1 3.98Å; A489-L514 HydrophobicContact CB-CD1 3.63Å
490V98Very high94.7Very high0 Ų052.9 Ų52.90%026%0.264CS..THydrogen-bonded Turntrans-108.16.9179.7-52.90000113.8L486 H487 L488 P506 T511 P531 I534 A535 N538 I543L486-V490 WeakPolarHBondContact O-CG2 3.22Å; L486-V490 PolarHBondContact O-N 3.41Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.11Å; H487-V490 PolarHBondContact O-N 2.95Å; L488-V490 PolarHBondContact O-N 3.14Å; L488-V490 VanDerWaalsContact O-N 3.17Å; V490-P506 VanDerWaalsContact O-CG 3.31Å; V490-P506 WeakPolarHBondContact O-CG 3.23Å; V490-T511 HydrophobicContact CG1-CG2 4Å; V490-T511 WeakPolarHBondContact CG1-OG1 3.46Å; V490-P531 HydrophobicContact CG2-CB 4.22Å; V490-P531 WeakPolarHBondContact CG2-O 3.38Å; V490-I534 HydrophobicContact CG2-CB 3.9Å; V490-I534 HydrophobicContact CG2-CG2 3.88Å; V490-A535 HydrophobicContact CB-CB 4.22Å; V490-A535 HydrophobicContact CG2-CB 4.48Å; V490-N538 PolarHBondContact O-ND2 3.02Å; V490-I543 HydrophobicContact CB-CG2 4.12Å; V490-I543 HydrophobicContact CG1-CG2 3.37Å
491D97Very high94.5Very high17 Ų1752.1 Ų52.19%0.09127%0.271CS..  trans-104.1133.8177.5-175.137.7000112.1F483 H487 L488 N493 T494 F505 I534 N538F483-D491 HydrophobicContact CE2-CB 4.17Å; H487-D491 PolarHBondContact O-N 3.44Å; H487-D491 VanDerWaalsContact O-N 3.16Å; L488-D491 PolarHBondContact O-N 3.24Å; D491-N493 VanDerWaalsContact C-N 3.28Å; D491-N493 PolarHBondContact O-N 3.38Å; D491-N493 PolarHBondContact OD1-ND2 3.16Å; D491-N493 WeakPolarHBondContact OD2-CB 3.5Å; D491-N493 PolarHBondContact OD2-N 3.23Å; D491-N493 PolarHBondContact OD2-ND2 3.48Å; D491-T494 WeakPolarHBondContact O-CB 3.44Å; D491-T494 PolarHBondContact O-N 2.87Å; D491-T494 PolarHBondContact O-OG1 2.92Å; D491-F505 WeakPolarHBondContact O-CB 3.26Å; D491-I534 HydrophobicContact CB-CG2 3.84Å; D491-N538 PolarHBondContact OD1-ND2 3.3Å
492K95.8Very high94.6Very high118 Ų11848.5 Ų48.551%0.51325%0.252SS..G310 helixtrans-64.3-31.4178.568.9-169.8167.7-1670113.2T494 T495 N538K492-T494 PolarHBondContact O-N 3.24Å; K492-T495 VanDerWaalsContact O-CB 3.26Å; K492-T495 WeakPolarHBondContact O-CB 3.21Å; K492-T495 PolarHBondContact O-N 3.47Å; K492-T495 VanDerWaalsContact O-N 3.12Å; K492-T495 PolarHBondContact O-OG1 3.13Å; K492-N538 WeakPolarHBondContact CB-OD1 3.32Å; K492-N538 WeakPolarHBondContact CD-OD1 3.41Å; K492-N538 WeakPolarHBondContact CG-OD1 3.41Å; K492-N538 PolarHBondContact N-OD1 3.17Å
493N93.9Very high94.7Very high107 Ų10745.7 Ų45.757%0.57224%0.238SC*.G310 helixtrans-68.3-21.8-176.6-50.6-57.6000112D491 T495 C496D491-N493 VanDerWaalsContact C-N 3.28Å; D491-N493 PolarHBondContact O-N 3.38Å; D491-N493 PolarHBondContact OD1-ND2 3.16Å; D491-N493 WeakPolarHBondContact OD2-CB 3.5Å; D491-N493 PolarHBondContact OD2-N 3.23Å; D491-N493 PolarHBondContact OD2-ND2 3.48Å; N493-T495 PolarHBondContact O-N 3.05Å; N493-C496 PolarHBondContact O-N 3.09Å; N493-C496 VanDerWaalsContact O-N 3.1Å
494T95.9Very high94.7Very high4 Ų452.8 Ų52.83%0.02527%0.268CS..G310 helixtrans-58.3-28173.3-58.10000112.1L446 H447 L488 D491 K492 C496 F505L446-T494 HydrophobicContact CD1-CG2 4.11Å; H447-T494 PolarHBondContact CE1-O 3Å; L488-T494 WeakPolarHBondContact CA-OG1 3.45Å; L488-T494 HydrophobicContact CB-CG2 4.37Å; L488-T494 WeakPolarHBondContact O-CB 3.46Å; L488-T494 PolarHBondContact O-OG1 3.47Å; D491-T494 WeakPolarHBondContact O-CB 3.44Å; D491-T494 PolarHBondContact O-N 2.87Å; D491-T494 PolarHBondContact O-OG1 2.92Å; K492-T494 PolarHBondContact O-N 3.24Å; T494-C496 PolarHBondContact O-N 3.45Å; T494-C496 VanDerWaalsContact O-N 3.17Å; T494-F505 HydrophobicContact CG2-CB 4.37Å; T494-F505 HydrophobicContact CG2-CD1 4.11Å; T494-F505 HydrophobicContact CG2-CD2 3.79Å; T494-F505 HydrophobicContact CG2-CE1 4.38Å; T494-F505 HydrophobicContact CG2-CE2 4.09Å; T494-F505 HydrophobicContact CG2-CG 3.81Å; T494-F505 HydrophobicContact CG2-CZ 4.38Å
495T95.8Very high94.6Very high38 Ų3852.7 Ų52.723%0.23327%0.267CS..G310 helixtrans-54.4-34.5175.6-56.30000112.9K492 N493 V497 F505K492-T495 VanDerWaalsContact O-CB 3.26Å; K492-T495 WeakPolarHBondContact O-CB 3.21Å; K492-T495 PolarHBondContact O-N 3.47Å; K492-T495 VanDerWaalsContact O-N 3.12Å; K492-T495 PolarHBondContact O-OG1 3.13Å; N493-T495 PolarHBondContact O-N 3.05Å; T495-V497 PolarHBondContact O-N 3.1Å; T495-F505 PolarHBondContact OG1-N 3.08Å; T495-F505 PolarHBondContact OG1-O 3.02Å
496C90.5Very high94.6Very high110 Ų11053.4 Ų53.474%0.74327%0.272SS*.  trans-95.982.7-172.1-62.30000110.9N493 T494N493-C496 PolarHBondContact O-N 3.09Å; N493-C496 VanDerWaalsContact O-N 3.1Å; T494-C496 PolarHBondContact O-N 3.45Å; T494-C496 VanDerWaalsContact O-N 3.17Å
497V91.4Very high94.6Very high21 Ų2153.8 Ų53.813%0.12728%0.275CS..SBendtrans-105.3-21179.667.60000114L384 K440 I444 H447 T495L384-V497 HydrophobicContact CD1-CB 4.47Å; L384-V497 HydrophobicContact CD1-CG1 3.67Å; L384-V497 HydrophobicContact CD1-CG2 4.2Å; L384-V497 WeakPolarHBondContact CD2-O 3.4Å; K440-V497 HydrophobicContact CG-CG2 4.49Å; I444-V497 HydrophobicContact CG1-CG2 3.69Å; H447-V497 VanDerWaalsContact CE1-CG1 3.41Å; H447-V497 WeakPolarHBondContact CE1-CG1 3.24Å; T495-V497 PolarHBondContact O-N 3.1Å
498G90Very high94.5Very high37 Ų3756.5 Ų56.538%0.38129%0.289SS..SBendtrans-151.6-170-172.100000112.6
499R86.4Confident94.5Very high215 Ų21561.9 Ų61.981%0.81131%0.314SS*.SBendtrans-76.1-37177-179.2-179-72.6-177.6-2.1110.8
500Y88.9Confident94.5Very high140 Ų14061.9 Ų61.955%0.54931%0.314SS..SBendtrans-102.6139.2-178.1-57-70000110.7E388 V502E388-Y500 PolarHBondContact OE1-N 2.9Å; Y500-V502 PolarHBondContact O-N 3.45Å
501P88.3Confident94.6Very high102 Ų10261.9 Ų61.966%0.66231%0.314SS*.  trans-67.8130178.328-33.7000110.3
502V94.8Very high94.6Very high5 Ų563 Ų633%0.0333%0.325CS..  trans-103.7-60.9178.7178.80000110.6A387 E388 S391 H447 L451 Y500A387-V502 HydrophobicContact CB-CG1 4.06Å; A387-V502 HydrophobicContact CB-CG2 4.44Å; E388-V502 HydrophobicContact CB-CG2 4.47Å; E388-V502 HydrophobicContact CG-CG2 3.77Å; S391-V502 PolarHBondContact OG-O 3.49Å; S391-V502 VanDerWaalsContact OG-O 3.05Å; H447-V502 HydrophobicContact CB-CB 4.41Å; H447-V502 HydrophobicContact CB-CG1 3.77Å; H447-V502 VanDerWaalsContact CD2-CB 3.47Å; H447-V502 WeakPolarHBondContact CD2-CB 3.48Å; L451-V502 HydrophobicContact CD1-CG1 3.8Å; L451-V502 HydrophobicContact CD2-CG1 4.33Å; L451-V502 HydrophobicContact CG-CG1 4.21Å; Y500-V502 PolarHBondContact O-N 3.45Å
503C96.1Very high94.8Very high9 Ų957.5 Ų57.56%0.06130%0.301CS..  trans-142.4156.6176.4-84.50000109.6H447 C450 K454 F505H447-C503 PolarHBondContact CD2-N 3.27Å; C450-C503 HydrophobicContact CB-CB 3.71Å; C450-C503 WeakPolarHBondContact CB-SG 3.41Å; C450-C503 WeakPolarHBondContact SG-CB 3.34Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.47Å; K454-C503 PolarHBondContact NZ-SG 3.19Å; C503-F505 HydrophobicContact CB-CE2 3.98Å
504K95.9Very high95Very high170 Ų17052.4 Ų52.474%0.73927%0.274SS*.  trans-94.7137176.7-173.1178.7177.6-175.60110.1
505F97.5Very high95.1Very high3 Ų353.5 Ų53.51%0.01328%0.28CS..SBendtrans-121.9151.1170.9-67.6-91.2000109.6L446 H447 C450 D491 T494 T495 C503 V510L446-F505 HydrophobicContact CB-CE1 4.03Å; L446-F505 HydrophobicContact CB-CZ 3.76Å; H447-F505 AromaticContact CD2-CE2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.7Å; H447-F505 AromaticContact CG-CE2 3.97Å; H447-F505 AromaticContact ND1-CE2 3.92Å; H447-F505 AromaticContact NE2-CD2 3.99Å; H447-F505 AromaticContact NE2-CE2 3.58Å; C450-F505 HydrophobicContact CB-CZ 4.41Å; D491-F505 WeakPolarHBondContact O-CB 3.26Å; T494-F505 HydrophobicContact CG2-CB 4.37Å; T494-F505 HydrophobicContact CG2-CD1 4.11Å; T494-F505 HydrophobicContact CG2-CD2 3.79Å; T494-F505 HydrophobicContact CG2-CE1 4.38Å; T494-F505 HydrophobicContact CG2-CE2 4.09Å; T494-F505 HydrophobicContact CG2-CG 3.81Å; T494-F505 HydrophobicContact CG2-CZ 4.38Å; T495-F505 PolarHBondContact OG1-N 3.08Å; T495-F505 PolarHBondContact OG1-O 3.02Å; C503-F505 HydrophobicContact CB-CE2 3.98Å; F505-V510 HydrophobicContact CE1-CB 4.22Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.15Å; F505-V510 HydrophobicContact CZ-CG2 4.41Å
506P97.7Very high95.2Very high20 Ų2057.6 Ų57.613%0.1330%0.296CS..SBendcis-59.8146.7-2-2335.6000113.1A489 V490 N538 H540 I543A489-P506 WeakPolarHBondContact O-CA 3.3Å; V490-P506 VanDerWaalsContact O-CG 3.31Å; V490-P506 WeakPolarHBondContact O-CG 3.23Å; P506-N538 HydrophobicContact CG-CB 3.76Å; P506-H540 HydrophobicContact CG-CB 4.49Å; P506-I543 HydrophobicContact CB-CD1 3.37Å
507S97.6Very high95.6Very high10 Ų1052.7 Ų52.77%0.0726%0.263CS..  trans-127.5107-175.7162.10000111.3A489 Q509 V510 T511A489-S507 PolarHBondContact O-N 2.7Å; S507-Q509 VanDerWaalsContact C-N 3.31Å; S507-Q509 PolarHBondContact O-N 3.38Å; S507-V510 PolarHBondContact O-N 2.98Å; S507-V510 WeakPolarHBondContact OG-CB 3.49Å; S507-V510 VanDerWaalsContact OG-CG2 3.28Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; S507-V510 PolarHBondContact OG-N 3.4Å; S507-T511 PolarHBondContact O-N 3.18Å; S507-T511 PolarHBondContact O-OG1 3.1Å
508L97.9Very high95.9Very high57 Ų5754.3 Ų54.330%0.29828%0.284SS..Hα-helixtrans-54.1-43.4179.2-176.865.1000113.3T511 A512 D542 I543 L546L508-T511 PolarHBondContact O-N 3.29Å; L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.13Å; L508-D542 HydrophobicContact CD1-CB 4.44Å; L508-D542 HydrophobicContact CD2-CB 4.3Å; L508-I543 HydrophobicContact CB-CG1 4.11Å; L508-I543 HydrophobicContact CD1-CG1 3.82Å; L508-L546 HydrophobicContact CD1-CB 4.16Å; L508-L546 HydrophobicContact CD1-CD2 3.68Å
509Q97.4Very high96.3Very high117 Ų11753.1 Ų53.155%0.54727%0.271SS..Hα-helixtrans-64.1-50.6-178.8-66.377.41100111.5S507 T511 A512 I513S507-Q509 VanDerWaalsContact C-N 3.31Å; S507-Q509 PolarHBondContact O-N 3.38Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.44Å; Q509-A512 PolarHBondContact O-N 3.16Å; Q509-I513 PolarHBondContact O-N 3.41Å
510V98.4Very high96.7Very high0 Ų047.5 Ų47.50%026%0.257CS..Hα-helixtrans-58.9-44174179.40000111.6L446 I449 C450 A489 F505 S507 A512 I513 L514L446-V510 HydrophobicContact CD2-CG1 4.02Å; I449-V510 HydrophobicContact CG2-CG1 4.28Å; I449-V510 HydrophobicContact CG2-CG2 4.37Å; C450-V510 HydrophobicContact CB-CG2 3.6Å; A489-V510 HydrophobicContact CB-CG1 3.98Å; F505-V510 HydrophobicContact CE1-CB 4.22Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.15Å; F505-V510 HydrophobicContact CZ-CG2 4.41Å; S507-V510 PolarHBondContact O-N 2.98Å; S507-V510 WeakPolarHBondContact OG-CB 3.49Å; S507-V510 VanDerWaalsContact OG-CG2 3.28Å; S507-V510 WeakPolarHBondContact OG-CG2 3.41Å; S507-V510 PolarHBondContact OG-N 3.4Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.34Å; V510-I513 VanDerWaalsContact O-CG2 3.3Å; V510-I513 WeakPolarHBondContact O-CG2 3.41Å; V510-I513 PolarHBondContact O-N 2.85Å; V510-L514 HydrophobicContact CG1-CD1 4Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.49Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 3.04Å
511T98.7Very high97.1Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-58.3-46.1175.8-57.50000111.3L486 V490 S507 L508 Q509 L514 I515 I543 L546 L547L486-T511 HydrophobicContact CD1-CG2 3.82Å; V490-T511 HydrophobicContact CG1-CG2 4Å; V490-T511 WeakPolarHBondContact CG1-OG1 3.46Å; S507-T511 PolarHBondContact O-N 3.18Å; S507-T511 PolarHBondContact O-OG1 3.1Å; L508-T511 PolarHBondContact O-N 3.29Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.44Å; T511-L514 PolarHBondContact O-N 3.46Å; T511-I515 HydrophobicContact CG2-CD1 3.91Å; T511-I515 VanDerWaalsContact O-CG1 3.3Å; T511-I515 WeakPolarHBondContact O-CG1 3.36Å; T511-I515 PolarHBondContact O-N 3.24Å; T511-I515 VanDerWaalsContact O-N 3.09Å; T511-I543 HydrophobicContact CG2-CG2 3.99Å; T511-L546 HydrophobicContact CG2-CD2 3.82Å; T511-L547 HydrophobicContact CG2-CD2 4.43Å
512A98.5Very high97.4Very high39 Ų3938.4 Ų38.432%0.32221%0.213SC..Hα-helixtrans-61.3-48.4-179.500000112.4L508 Q509 V510 L514 I515 E516 L546L508-A512 WeakPolarHBondContact O-CB 3.44Å; L508-A512 PolarHBondContact O-N 3.13Å; Q509-A512 PolarHBondContact O-N 3.16Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.34Å; A512-L514 PolarHBondContact O-N 3.09Å; A512-I515 PolarHBondContact O-N 3.43Å; A512-E516 WeakPolarHBondContact O-CB 3.47Å; A512-E516 PolarHBondContact O-N 3.25Å; A512-L546 HydrophobicContact CB-CD2 3.86Å
513I98.4Very high97.4Very high3 Ų338.7 Ų38.72%0.01521%0.214CC..Hα-helixtrans-68.5-33.7-179.6-168.1167.9000112.4I449 E453 K465 K466 I469 Q509 V510 E516 C517I449-I513 HydrophobicContact CG2-CG2 3.74Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.47Å; K465-I513 HydrophobicContact CD-CD1 3.97Å; K465-I513 HydrophobicContact CG-CD1 4.39Å; K466-I513 HydrophobicContact CG-CD1 4.5Å; I469-I513 HydrophobicContact CD1-CD1 3.62Å; I469-I513 HydrophobicContact CD1-CG1 3.9Å; Q509-I513 PolarHBondContact O-N 3.41Å; V510-I513 VanDerWaalsContact O-CG2 3.3Å; V510-I513 WeakPolarHBondContact O-CG2 3.41Å; V510-I513 PolarHBondContact O-N 2.85Å; I513-E516 PolarHBondContact O-N 3.33Å; I513-C517 VanDerWaalsContact O-CB 3.3Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.02Å; I513-C517 PolarHBondContact O-SG 2.89Å
514L98.7Very high97.4Very high0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-63.1-44.2174-71177.1000111.2L446 I449 I469 L473 P485 L486 A489 V510 T511 A512 C517 G518 A519L446-L514 HydrophobicContact CD2-CD1 3.85Å; L446-L514 HydrophobicContact CD2-CD2 4.32Å; I449-L514 HydrophobicContact CD1-CD2 4.28Å; I469-L514 HydrophobicContact CG2-CD2 3.86Å; L473-L514 HydrophobicContact CD1-CD2 4.29Å; L473-L514 WeakPolarHBondContact CD1-O 3.49Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; P485-L514 HydrophobicContact CB-CD1 4.47Å; L486-L514 HydrophobicContact CD1-CB 4.3Å; L486-L514 HydrophobicContact CD1-CD1 4.36Å; A489-L514 HydrophobicContact CB-CD1 3.63Å; V510-L514 HydrophobicContact CG1-CD1 4Å; V510-L514 HydrophobicContact CG1-CG 4.24Å; V510-L514 WeakPolarHBondContact O-CB 3.49Å; V510-L514 WeakPolarHBondContact O-CG 3.42Å; V510-L514 PolarHBondContact O-N 3.04Å; T511-L514 PolarHBondContact O-N 3.46Å; A512-L514 PolarHBondContact O-N 3.09Å; L514-C517 CarbonylContact O-C 3.51Å; L514-C517 PolarHBondContact O-N 3.45Å; L514-G518 PolarHBondContact O-N 3.37Å; L514-A519 HydrophobicContact CB-CB 4.02Å; L514-A519 WeakPolarHBondContact O-CB 3Å; L514-A519 PolarHBondContact O-N 3.47Å
515I98.6Very high97.3Very high28 Ų2832.5 Ų32.514%0.14419%0.186CC..Hα-helixtrans-64.4-46176.6-67.2169.4000110.5L486 T511 A512 C517 G518 V521 L546 L547 S550L486-I515 HydrophobicContact CD1-CG1 4.12Å; L486-I515 HydrophobicContact CD2-CG1 4.3Å; T511-I515 HydrophobicContact CG2-CD1 3.91Å; T511-I515 VanDerWaalsContact O-CG1 3.3Å; T511-I515 WeakPolarHBondContact O-CG1 3.36Å; T511-I515 PolarHBondContact O-N 3.24Å; T511-I515 VanDerWaalsContact O-N 3.09Å; A512-I515 PolarHBondContact O-N 3.43Å; I515-C517 PolarHBondContact O-N 2.94Å; I515-G518 PolarHBondContact O-N 3.4Å; I515-V521 HydrophobicContact CD1-CG1 4.1Å; I515-V521 HydrophobicContact CG1-CG1 3.93Å; I515-V521 HydrophobicContact CG2-CG1 4.31Å; I515-L546 HydrophobicContact CD1-CD2 4.21Å; I515-L546 HydrophobicContact CD1-CG 4.02Å; I515-L547 HydrophobicContact CD1-CD2 3.92Å; I515-S550 WeakPolarHBondContact CG2-OG 3.21Å
516E98.1Very high97.3Very high123 Ų12335.9 Ų35.958%0.57521%0.209SC*.Hα-helixtrans-56.8-37.2175.7-170.1-173.6173.200111.4K466 A512 I513 G518K466-E516 VanDerWaalsContact CE-CD 3.44Å; K466-E516 WeakPolarHBondContact CE-OE1 3.3Å; K466-E516 VanDerWaalsContact CE-OE2 3.26Å; K466-E516 WeakPolarHBondContact CE-OE2 3.3Å; K466-E516 VanDerWaalsContact NZ-CD 3.32Å; K466-E516 IonicContact NZ-OE1 3.48Å; K466-E516 PolarHBondContact NZ-OE1 2.96Å; K466-E516 IonicContact NZ-OE2 2.67Å; K466-E516 PolarHBondContact NZ-OE2 3.35Å; A512-E516 WeakPolarHBondContact O-CB 3.47Å; A512-E516 PolarHBondContact O-N 3.25Å; I513-E516 PolarHBondContact O-N 3.33Å; E516-G518 PolarHBondContact O-N 3.22Å
517C98.4Very high97.2Very high8 Ų837.9 Ų37.95%0.05422%0.219CC..THydrogen-bonded Turntrans-84.213.7176.5-61.60000114I469 Y470 L473 I513 L514 I515I469-C517 HydrophobicContact CB-CB 4.09Å; I469-C517 HydrophobicContact CG2-CB 3.56Å; Y470-C517 WeakPolarHBondContact CD2-O 3.42Å; L473-C517 HydrophobicContact CD1-CB 3.88Å; L473-C517 WeakPolarHBondContact CD1-O 3.36Å; I513-C517 VanDerWaalsContact O-CB 3.3Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.02Å; I513-C517 PolarHBondContact O-SG 2.89Å; L514-C517 CarbonylContact O-C 3.51Å; L514-C517 PolarHBondContact O-N 3.45Å; I515-C517 PolarHBondContact O-N 2.94Å
518G97.1Very high97Very high55 Ų5540.3 Ų40.357%0.56723%0.231SC*.THydrogen-bonded Turntrans88.323.817100000115.8L514 I515 E516 D520L514-G518 PolarHBondContact O-N 3.37Å; I515-G518 PolarHBondContact O-N 3.4Å; E516-G518 PolarHBondContact O-N 3.22Å; G518-D520 PolarHBondContact O-N 3.05Å
519A98.1Very high96.9Very high12 Ų1238.1 Ų38.110%0.09922%0.22CC..  trans-63.8131.117000000110.6L473 L486 L514 V521L473-A519 HydrophobicContact CD1-CB 3.98Å; L473-A519 HydrophobicContact CD2-CB 4.09Å; L486-A519 HydrophobicContact CB-CB 4.27Å; L486-A519 HydrophobicContact CD2-CB 4.08Å; L514-A519 HydrophobicContact CB-CB 4.02Å; L514-A519 WeakPolarHBondContact O-CB 3Å; L514-A519 PolarHBondContact O-N 3.47Å; A519-V521 PolarHBondContact O-N 3.02Å
520D96.6Very high96.9Very high97 Ų9732.6 Ų32.652%0.51919%0.194SC..  trans-69.3110.6176.3176.611.2000110.6G518 N522 V523G518-D520 PolarHBondContact O-N 3.05Å; D520-N522 PolarHBondContact O-N 3.16Å; D520-N522 WeakPolarHBondContact OD1-CA 3.47Å; D520-N522 PolarHBondContact OD1-N 3.41Å; D520-V523 HydrophobicContact CB-CB 4.15Å; D520-V523 WeakPolarHBondContact O-CB 3.46Å; D520-V523 WeakPolarHBondContact O-CG1 3.4Å; D520-V523 PolarHBondContact O-N 3.24Å; D520-V523 PolarHBondContact OD1-N 2.98Å; D520-V523 PolarHBondContact OD2-N 3.47Å
521V96.9Very high96.8Very high12 Ų1232.6 Ų32.67%0.07319%0.194CC..THydrogen-bonded Turntrans-69.3-17179.3-63.20000113.6L486 I515 A519 L547 A552L486-V521 HydrophobicContact CD2-CG1 4.19Å; I515-V521 HydrophobicContact CD1-CG1 4.1Å; I515-V521 HydrophobicContact CG1-CG1 3.93Å; I515-V521 HydrophobicContact CG2-CG1 4.31Å; A519-V521 PolarHBondContact O-N 3.02Å; V521-L547 HydrophobicContact CB-CD2 4.49Å; V521-L547 HydrophobicContact CG1-CD2 4.29Å; V521-A552 HydrophobicContact CB-CB 4.39Å
522N93.7Very high96.7Very high39 Ų3932.6 Ų32.621%0.20919%0.194CC..THydrogen-bonded Turntrans-108.811.8179.9-69.8-57000112.7D520 R524 G551 A552 H553D520-N522 PolarHBondContact O-N 3.16Å; D520-N522 WeakPolarHBondContact OD1-CA 3.47Å; D520-N522 PolarHBondContact OD1-N 3.41Å; N522-R524 PolarHBondContact O-NH1 2.96Å; N522-G551 PolarHBondContact ND2-O 3.02Å; N522-A552 WeakPolarHBondContact OD1-CA 3.47Å; N522-H553 PolarHBondContact OD1-CD2 3.38Å; N522-H553 VanDerWaalsContact OD1-CD2 3.29Å; N522-H553 PolarHBondContact OD1-N 3.49Å
523V95.5Very high96.6Very high10 Ų1030.8 Ų30.86%0.06118%0.179CC..  trans-55.6149172.264.60000111.4S484 H487 D520 S530 P531S484-V523 WeakPolarHBondContact OG-CG1 3.27Å; H487-V523 PolarHBondContact CE1-O 3.44Å; D520-V523 HydrophobicContact CB-CB 4.15Å; D520-V523 WeakPolarHBondContact O-CB 3.46Å; D520-V523 WeakPolarHBondContact O-CG1 3.4Å; D520-V523 PolarHBondContact O-N 3.24Å; D520-V523 PolarHBondContact OD1-N 2.98Å; D520-V523 PolarHBondContact OD2-N 3.47Å; V523-S530 WeakPolarHBondContact O-CA 3.47Å; V523-P531 HydrophobicContact CG1-CG 3.79Å; V523-P531 WeakPolarHBondContact O-CD 3.05Å
524R94.9Very high96.5Very high40 Ų4031 Ų3115%0.15118%0.18CC..  trans-118142.2-176.4-61-61.6-166.4-108.89.9112.5N522 D528 N529N522-R524 PolarHBondContact O-NH1 2.96Å; R524-D528 WeakPolarHBondContact CB-OD1 3.43Å; R524-D528 WeakPolarHBondContact CD-O 3.48Å; R524-D528 WeakPolarHBondContact CD-OD1 3.43Å; R524-D528 WeakPolarHBondContact CG-OD1 3.34Å; R524-D528 IonicContact NE-OD1 3.62Å; R524-N529 WeakPolarHBondContact CA-O 3.49Å
525D95.7Very high96.4Very high10 Ų1031 Ų315%0.05318%0.18CC..  trans-89.8-162.8173.380.1-1.8000111.9N481 F483 D527 D528 N529N481-D525 WeakPolarHBondContact O-CB 3.38Å; F483-D525 HydrophobicContact CD1-CB 3.85Å; F483-D525 HydrophobicContact CE1-CB 4Å; F483-D525 VanDerWaalsContact CE1-OD2 3.23Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.37Å; D525-D527 WeakPolarHBondContact OD1-CA 3.5Å; D525-D527 PolarHBondContact OD1-N 3.48Å; D525-D528 PolarHBondContact OD1-N 2.77Å; D525-D528 VanDerWaalsContact OD1-N 3.07Å; D525-N529 PolarHBondContact N-O 2.95Å; D525-N529 WeakPolarHBondContact OD1-CB 3.12Å; D525-N529 PolarHBondContact OD1-N 2.69Å; D525-N529 WeakPolarHBondContact OD2-CB 3.49Å; D525-N529 PolarHBondContact OD2-ND2 3.47Å
526S95.9Very high96.1Very high73 Ų7329.6 Ų29.651%0.5117%0.173SC..THydrogen-bonded Turntrans-75-24.5179.9-54.30000114.2N481 N482 D528N481-S526 PolarHBondContact O-N 3.37Å; N481-S526 PolarHBondContact O-OG 2.91Å; N482-S526 WeakPolarHBondContact CB-OG 3.23Å; S526-D528 VanDerWaalsContact C-N 3.31Å
527D95.7Very high95.9Very high63 Ų6327.6 Ų27.634%0.33717%0.166SC..THydrogen-bonded Turntrans-99.315.7178.8-61-44000110.9D525 N529 N558 L559D525-D527 WeakPolarHBondContact OD1-CA 3.5Å; D525-D527 PolarHBondContact OD1-N 3.48Å; D527-N529 WeakPolarHBondContact CB-ND2 3.41Å; D527-N529 PolarHBondContact O-N 3.5Å; D527-N558 WeakPolarHBondContact O-CB 3.42Å; D527-L559 VanDerWaalsContact O-CB 3.23Å; D527-L559 WeakPolarHBondContact O-CB 3.44Å; D527-L559 PolarHBondContact O-N 3.47Å
528D94.2Very high95.7Very high61 Ų6128.3 Ų28.333%0.32617%0.169SC..  trans57.422.5-174.5-155.427.7000114R524 D525 S526 L559R524-D528 WeakPolarHBondContact CB-OD1 3.43Å; R524-D528 WeakPolarHBondContact CD-O 3.48Å; R524-D528 WeakPolarHBondContact CD-OD1 3.43Å; R524-D528 WeakPolarHBondContact CG-OD1 3.34Å; R524-D528 IonicContact NE-OD1 3.62Å; D525-D528 PolarHBondContact OD1-N 2.77Å; D525-D528 VanDerWaalsContact OD1-N 3.07Å; S526-D528 VanDerWaalsContact C-N 3.31Å; D528-L559 HydrophobicContact CB-CB 4.48Å
529N96.2Very high95.4Very high11 Ų1128.6 Ų28.66%0.05916%0.158CC..  trans-70.7145.2169.6-60.1-62.2000109.5H487 R524 D525 D527 H533 I534 N558H487-N529 PolarHBondContact NE2-O 3.28Å; H487-N529 VanDerWaalsContact NE2-O 3.08Å; R524-N529 WeakPolarHBondContact CA-O 3.49Å; D525-N529 PolarHBondContact N-O 2.95Å; D525-N529 WeakPolarHBondContact OD1-CB 3.12Å; D525-N529 PolarHBondContact OD1-N 2.69Å; D525-N529 WeakPolarHBondContact OD2-CB 3.49Å; D525-N529 PolarHBondContact OD2-ND2 3.47Å; D527-N529 WeakPolarHBondContact CB-ND2 3.41Å; D527-N529 PolarHBondContact O-N 3.5Å; N529-H533 HydrophobicContact CB-CB 3.89Å; N529-I534 HydrophobicContact CB-CD1 3.8Å; N529-I534 HydrophobicContact CB-CG1 4.31Å; N529-N558 VanDerWaalsContact OD1-CB 3.27Å; N529-N558 WeakPolarHBondContact OD1-CB 3.37Å; N529-N558 PolarHBondContact OD1-ND2 3.33Å
530S96.4Very high95.1Very high0 Ų030.2 Ų30.20%016%0.163CC..  trans-97.7167.5166.379.10000110.6H487 V523 L532 H533 I534H487-S530 VanDerWaalsContact NE2-C 3.27Å; V523-S530 WeakPolarHBondContact O-CA 3.47Å; S530-L532 PolarHBondContact O-N 2.86Å; S530-L532 VanDerWaalsContact O-N 3.07Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 PolarHBondContact OG-N 3.48Å; S530-H533 WeakPolarHBondContact CB-ND1 3.42Å; S530-H533 PolarHBondContact N-ND1 3.39Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.16Å; S530-H533 PolarHBondContact OG-ND1 3.26Å; S530-I534 PolarHBondContact O-N 2.98Å; S530-I534 VanDerWaalsContact O-N 3.14Å
531P97.8Very high94.7Very high0 Ų026.8 Ų26.80%015%0.146CC..Hα-helixtrans-54.1-29.6171.3-27.535.3000113.1L486 H487 V490 V523 I534 A535 L547L486-P531 HydrophobicContact CB-CG 4.22Å; L486-P531 HydrophobicContact CD2-CB 4.15Å; L486-P531 HydrophobicContact CD2-CG 3.84Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.85Å; H487-P531 WeakPolarHBondContact NE2-CD 3.46Å; V490-P531 HydrophobicContact CG2-CB 4.22Å; V490-P531 WeakPolarHBondContact CG2-O 3.38Å; V523-P531 HydrophobicContact CG1-CG 3.79Å; V523-P531 WeakPolarHBondContact O-CD 3.05Å; P531-I534 PolarHBondContact O-N 3.06Å; P531-A535 WeakPolarHBondContact O-CB 3.42Å; P531-A535 PolarHBondContact O-N 2.89Å; P531-L547 HydrophobicContact CB-CD1 4.13Å; P531-L547 HydrophobicContact CB-CD2 4.08Å
532L96.4Very high94.5Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-67.3-39.7176.3-174.463.6000112.1S530 A535 A536 M544 L547 I548 A552 F554 A564S530-L532 PolarHBondContact O-N 2.86Å; S530-L532 VanDerWaalsContact O-N 3.07Å; S530-L532 WeakPolarHBondContact OG-CB 3.32Å; S530-L532 PolarHBondContact OG-N 3.48Å; L532-A535 PolarHBondContact O-N 3.19Å; L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.77Å; L532-M544 HydrophobicContact CD1-CB 3.75Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.92Å; L532-L547 HydrophobicContact CB-CD1 4.37Å; L532-L547 HydrophobicContact CD1-CB 4.18Å; L532-L547 HydrophobicContact CD1-CD1 4.33Å; L532-I548 HydrophobicContact CD1-CD1 4.28Å; L532-I548 HydrophobicContact CD1-CG1 3.98Å; L532-I548 HydrophobicContact CD2-CG1 4.13Å; L532-A552 HydrophobicContact CB-CB 4.24Å; L532-A552 HydrophobicContact CD2-CB 4.19Å; L532-F554 HydrophobicContact CD2-CD2 4.23Å; L532-A564 HydrophobicContact CB-CB 4.47Å; L532-A564 HydrophobicContact CD2-CB 3.99Å; L532-A564 HydrophobicContact CG-CB 3.65Å
533H95.9Very high94.6Very high1 Ų129 Ų291%0.00516%0.158CC..Hα-helixtrans-63.8-44.4174.3-65.191.3000111.3N529 S530 A536 L537 A556 Q562 A564 L567N529-H533 HydrophobicContact CB-CB 3.89Å; S530-H533 WeakPolarHBondContact CB-ND1 3.42Å; S530-H533 PolarHBondContact N-ND1 3.39Å; S530-H533 WeakPolarHBondContact O-CB 3.47Å; S530-H533 PolarHBondContact O-N 3.16Å; S530-H533 PolarHBondContact OG-ND1 3.26Å; H533-A536 WeakPolarHBondContact O-CB 3.35Å; H533-A536 PolarHBondContact O-N 3.28Å; H533-L537 WeakPolarHBondContact O-CG 3.42Å; H533-L537 PolarHBondContact O-N 3.21Å; H533-A556 PolarHBondContact CE1-O 2.88Å; H533-A556 VanDerWaalsContact CE1-O 3.29Å; H533-A556 PolarHBondContact NE2-O 3.35Å; H533-Q562 PolarHBondContact NE2-O 2.91Å; H533-A564 PolarHBondContact CD2-N 2.81Å; H533-L567 HydrophobicContact CB-CD1 3.78Å
534I96.6Very high94.5Very high7 Ų728.6 Ų28.64%0.03616%0.155CC..Hα-helixtrans-66.6-39178.7-56.7-50.5000111.3F483 V490 D491 N529 S530 P531 A536 L537 N538F483-I534 HydrophobicContact CZ-CD1 4.05Å; F483-I534 HydrophobicContact CZ-CG1 4.36Å; V490-I534 HydrophobicContact CG2-CB 3.9Å; V490-I534 HydrophobicContact CG2-CG2 3.88Å; D491-I534 HydrophobicContact CB-CG2 3.84Å; N529-I534 HydrophobicContact CB-CD1 3.8Å; N529-I534 HydrophobicContact CB-CG1 4.31Å; S530-I534 PolarHBondContact O-N 2.98Å; S530-I534 VanDerWaalsContact O-N 3.14Å; P531-I534 PolarHBondContact O-N 3.06Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.36Å; I534-L537 HydrophobicContact CD1-CD1 4.05Å; I534-L537 PolarHBondContact O-N 3.04Å; I534-N538 PolarHBondContact O-N 2.98Å; I534-N538 VanDerWaalsContact O-N 3.16Å; I534-N538 PolarHBondContact O-ND2 3.35Å
535A95.7Very high94.4Very high0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-62.7-37.217400000112.3V490 P531 L532 N538 N539 H540 I543 M544 L547V490-A535 HydrophobicContact CB-CB 4.22Å; V490-A535 HydrophobicContact CG2-CB 4.48Å; P531-A535 WeakPolarHBondContact O-CB 3.42Å; P531-A535 PolarHBondContact O-N 2.89Å; L532-A535 PolarHBondContact O-N 3.19Å; A535-N538 CarbonylContact O-C 3.54Å; A535-N538 PolarHBondContact O-N 3Å; A535-N539 PolarHBondContact O-N 3.49Å; A535-H540 PolarHBondContact O-N 2.7Å; A535-H540 VanDerWaalsContact O-N 3.1Å; A535-I543 HydrophobicContact CB-CG2 3.97Å; A535-M544 HydrophobicContact CB-CG 3.75Å; A535-L547 HydrophobicContact CB-CD1 4.02Å
536A93.4Very high94.4Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-66.5-47.1174.700000112.5L532 H533 I534 N538 N539 M544 A564 L567 L568L532-A536 WeakPolarHBondContact O-CB 3.49Å; L532-A536 PolarHBondContact O-N 2.77Å; H533-A536 WeakPolarHBondContact O-CB 3.35Å; H533-A536 PolarHBondContact O-N 3.28Å; I534-A536 VanDerWaalsContact C-N 3.31Å; I534-A536 PolarHBondContact O-N 3.36Å; A536-N538 PolarHBondContact O-N 3.08Å; A536-N538 VanDerWaalsContact O-N 3.09Å; A536-N539 WeakPolarHBondContact O-CA 3.21Å; A536-N539 PolarHBondContact O-N 3Å; A536-N539 PolarHBondContact O-OD1 3.29Å; A536-M544 HydrophobicContact CB-CE 3.8Å; A536-M544 HydrophobicContact CB-SD 3.96Å; A536-A564 HydrophobicContact CB-CB 4.15Å; A536-A564 WeakPolarHBondContact CB-O 3.46Å; A536-L567 HydrophobicContact CB-CB 4.13Å; A536-L568 HydrophobicContact CB-CD2 4.07Å; A536-L568 HydrophobicContact CB-CG 4.06Å
537L94Very high94.5Very high80 Ų8027 Ų2742%0.41914%0.143SC..Hα-helixtrans-57.2-26.2174.3-76170.2000113.3H533 I534 L567H533-L537 WeakPolarHBondContact O-CG 3.42Å; H533-L537 PolarHBondContact O-N 3.21Å; I534-L537 HydrophobicContact CD1-CD1 4.05Å; I534-L537 PolarHBondContact O-N 3.04Å; L537-L567 HydrophobicContact CD1-CD1 4.29Å; L537-L567 HydrophobicContact CD2-CB 4.04Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 3.98Å; L537-L567 HydrophobicContact CD2-CG 4.32Å; L537-L567 HydrophobicContact CG-CB 4.14Å; L537-L567 HydrophobicContact CG-CD1 3.98Å; L537-L567 HydrophobicContact CG-CG 4.45Å
538N93.3Very high94.3Very high24 Ų2425.1 Ų25.113%0.12813%0.133CC..THydrogen-bonded Turntrans-96.37.4177-73.1-76.3000113.4V490 D491 K492 P506 I534 A535 A536 H540V490-N538 PolarHBondContact O-ND2 3.02Å; D491-N538 PolarHBondContact OD1-ND2 3.3Å; K492-N538 WeakPolarHBondContact CB-OD1 3.32Å; K492-N538 WeakPolarHBondContact CD-OD1 3.41Å; K492-N538 WeakPolarHBondContact CG-OD1 3.41Å; K492-N538 PolarHBondContact N-OD1 3.17Å; P506-N538 HydrophobicContact CG-CB 3.76Å; I534-N538 PolarHBondContact O-N 2.98Å; I534-N538 VanDerWaalsContact O-N 3.16Å; I534-N538 PolarHBondContact O-ND2 3.35Å; A535-N538 CarbonylContact O-C 3.54Å; A535-N538 PolarHBondContact O-N 3Å; A536-N538 PolarHBondContact O-N 3.08Å; A536-N538 VanDerWaalsContact O-N 3.09Å; N538-H540 PolarHBondContact O-N 3.35Å
539N90.7Very high94.2Very high61 Ų6130.9 Ų30.933%0.32616%0.155SC..THydrogen-bonded Turntrans50.248.1178.3-67.1-41.8000113.3A535 A536 P541 D569 E572A535-N539 PolarHBondContact O-N 3.49Å; A536-N539 WeakPolarHBondContact O-CA 3.21Å; A536-N539 PolarHBondContact O-N 3Å; A536-N539 PolarHBondContact O-OD1 3.29Å; N539-P541 VanDerWaalsContact O-CD 3.22Å; N539-P541 WeakPolarHBondContact O-CD 3.5Å; N539-D569 PolarHBondContact OD1-N 3.41Å; N539-E572 HydrophobicContact CB-CG 4.3Å
540H91Very high94.2Very high45 Ų4532.6 Ų32.621%0.20817%0.168CC..  trans-11579.2-175.9-151.3-46.2000113.1P506 A535 N538 D542 I543 M544P506-H540 HydrophobicContact CG-CB 4.49Å; A535-H540 PolarHBondContact O-N 2.7Å; A535-H540 VanDerWaalsContact O-N 3.1Å; N538-H540 PolarHBondContact O-N 3.35Å; H540-D542 VanDerWaalsContact C-N 3.33Å; H540-D542 PolarHBondContact O-N 2.85Å; H540-I543 HydrophobicContact CB-CB 4.39Å; H540-I543 HydrophobicContact CB-CD1 4.23Å; H540-I543 PolarHBondContact O-N 3.05Å; H540-I543 VanDerWaalsContact O-N 3.16Å; H540-M544 WeakPolarHBondContact O-CG 3.34Å; H540-M544 PolarHBondContact O-N 2.96Å; H540-M544 VanDerWaalsContact O-N 3.13Å
541P89.6Confident94Very high25 Ų2534.4 Ų34.416%0.16219%0.187CC..Hα-helixtrans-61.6-33.6-171.422.9-33.9000114.2N539 I543 M544 N545 L577 I578N539-P541 VanDerWaalsContact O-CD 3.22Å; N539-P541 WeakPolarHBondContact O-CD 3.5Å; P541-I543 VanDerWaalsContact C-N 3.34Å; P541-I543 PolarHBondContact O-N 3.24Å; P541-M544 WeakPolarHBondContact O-CB 3.46Å; P541-M544 PolarHBondContact O-N 3.07Å; P541-N545 WeakPolarHBondContact O-CB 3.31Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.15Å; P541-L577 HydrophobicContact CB-CB 4.24Å; P541-L577 HydrophobicContact CB-CD1 4.09Å; P541-L577 HydrophobicContact CG-CD1 3.8Å; P541-I578 HydrophobicContact CB-CD1 4.4Å
542D92.4Very high93.7Very high99 Ų9934.8 Ų34.853%0.52919%0.19SC..Hα-helixtrans-63.8-39.4178.1-63.2-32.5000112.8L508 H540 N545 L546L508-D542 HydrophobicContact CD1-CB 4.44Å; L508-D542 HydrophobicContact CD2-CB 4.3Å; H540-D542 VanDerWaalsContact C-N 3.33Å; H540-D542 PolarHBondContact O-N 2.85Å; D542-N545 PolarHBondContact O-N 3.44Å; D542-L546 PolarHBondContact O-N 3.32Å
543I95.5Very high93.2Very high0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-72.1-39.7177.3-66.8177.1000109.4V490 P506 L508 T511 A535 H540 P541 N545 L546 L547V490-I543 HydrophobicContact CB-CG2 4.12Å; V490-I543 HydrophobicContact CG1-CG2 3.37Å; P506-I543 HydrophobicContact CB-CD1 3.37Å; L508-I543 HydrophobicContact CB-CG1 4.11Å; L508-I543 HydrophobicContact CD1-CG1 3.82Å; T511-I543 HydrophobicContact CG2-CG2 3.99Å; A535-I543 HydrophobicContact CB-CG2 3.97Å; H540-I543 HydrophobicContact CB-CB 4.39Å; H540-I543 HydrophobicContact CB-CD1 4.23Å; H540-I543 PolarHBondContact O-N 3.05Å; H540-I543 VanDerWaalsContact O-N 3.16Å; P541-I543 VanDerWaalsContact C-N 3.34Å; P541-I543 PolarHBondContact O-N 3.24Å; I543-N545 VanDerWaalsContact C-N 3.35Å; I543-N545 PolarHBondContact O-N 3.2Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 2.95Å; I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.42Å; I543-L547 WeakPolarHBondContact O-CB 3.27Å; I543-L547 VanDerWaalsContact O-CG 3.31Å; I543-L547 WeakPolarHBondContact O-CG 3.47Å; I543-L547 PolarHBondContact O-N 3.35Å
544M94.1Very high92.7Very high0 Ų038.4 Ų38.40%021%0.206CC..Hα-helixtrans-58.8-47.4173.5-65.8179.770.500111.3L532 A535 A536 H540 P541 L546 L547 I548 A564 L568 I578L532-M544 HydrophobicContact CD1-CB 3.75Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.92Å; A535-M544 HydrophobicContact CB-CG 3.75Å; A536-M544 HydrophobicContact CB-CE 3.8Å; A536-M544 HydrophobicContact CB-SD 3.96Å; H540-M544 WeakPolarHBondContact O-CG 3.34Å; H540-M544 PolarHBondContact O-N 2.96Å; H540-M544 VanDerWaalsContact O-N 3.13Å; P541-M544 WeakPolarHBondContact O-CB 3.46Å; P541-M544 PolarHBondContact O-N 3.07Å; M544-L546 VanDerWaalsContact C-N 3.31Å; M544-L546 PolarHBondContact O-N 3.22Å; M544-L547 PolarHBondContact O-N 3.12Å; M544-I548 WeakPolarHBondContact O-CB 3.42Å; M544-I548 WeakPolarHBondContact O-CD1 3.38Å; M544-I548 WeakPolarHBondContact O-CG1 3.44Å; M544-I548 PolarHBondContact O-N 3.33Å; M544-A564 HydrophobicContact CE-CB 4.25Å; M544-L568 HydrophobicContact CE-CD1 3.98Å; M544-L568 HydrophobicContact CE-CD2 4.29Å; M544-L568 HydrophobicContact CE-CG 4.23Å; M544-L568 HydrophobicContact SD-CD1 4.32Å; M544-L568 HydrophobicContact SD-CD2 3.72Å; M544-L568 HydrophobicContact SD-CG 4.31Å; M544-I578 HydrophobicContact CB-CD1 3.44Å; M544-I578 VanDerWaalsContact CB-CD1 3.44Å; M544-I578 HydrophobicContact CE-CD1 3.82Å; M544-I578 HydrophobicContact CG-CD1 4.26Å; M544-I578 HydrophobicContact SD-CD1 3.83Å
545N92.6Very high92.1Very high49 Ų4938.3 Ų38.326%0.26221%0.206SC..Hα-helixtrans-59-41.3176.3-82.9-36.2000112.2P541 D542 I543 K549P541-N545 WeakPolarHBondContact O-CB 3.31Å; P541-N545 PolarHBondContact O-N 3.39Å; P541-N545 PolarHBondContact O-ND2 3.15Å; D542-N545 PolarHBondContact O-N 3.44Å; I543-N545 VanDerWaalsContact C-N 3.35Å; I543-N545 PolarHBondContact O-N 3.2Å; N545-K549 WeakPolarHBondContact O-CB 3.33Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 2.96Å
546L95.7Very high91.8Very high41 Ų4138.3 Ų38.322%0.21521%0.206CC..Hα-helixtrans-61.1-50.9173.617463.7000111.2L508 T511 A512 I515 D542 I543 M544 I548 K549 S550L508-L546 HydrophobicContact CD1-CB 4.16Å; L508-L546 HydrophobicContact CD1-CD2 3.68Å; T511-L546 HydrophobicContact CG2-CD2 3.82Å; A512-L546 HydrophobicContact CB-CD2 3.86Å; I515-L546 HydrophobicContact CD1-CD2 4.21Å; I515-L546 HydrophobicContact CD1-CG 4.02Å; D542-L546 PolarHBondContact O-N 3.32Å; I543-L546 WeakPolarHBondContact O-CB 3.15Å; I543-L546 PolarHBondContact O-N 2.95Å; M544-L546 VanDerWaalsContact C-N 3.31Å; M544-L546 PolarHBondContact O-N 3.22Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; L546-K549 PolarHBondContact O-N 2.92Å; L546-S550 WeakPolarHBondContact O-CB 3.41Å; L546-S550 PolarHBondContact O-N 3.2Å; L546-S550 PolarHBondContact O-OG 2.89Å
547L96.5Very high91.7Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-58.7-44.4179.8-72.7167.5000111.9L486 T511 I515 V521 P531 L532 A535 I543 M544 S550 G551 A552L486-L547 HydrophobicContact CD1-CD2 4.5Å; L486-L547 HydrophobicContact CD2-CD2 4.09Å; L486-L547 HydrophobicContact CG-CD2 4.46Å; T511-L547 HydrophobicContact CG2-CD2 4.43Å; I515-L547 HydrophobicContact CD1-CD2 3.92Å; V521-L547 HydrophobicContact CB-CD2 4.49Å; V521-L547 HydrophobicContact CG1-CD2 4.29Å; P531-L547 HydrophobicContact CB-CD1 4.13Å; P531-L547 HydrophobicContact CB-CD2 4.08Å; L532-L547 HydrophobicContact CB-CD1 4.37Å; L532-L547 HydrophobicContact CD1-CB 4.18Å; L532-L547 HydrophobicContact CD1-CD1 4.33Å; A535-L547 HydrophobicContact CB-CD1 4.02Å; I543-L547 HydrophobicContact CG2-CD1 4Å; I543-L547 HydrophobicContact CG2-CG 4.42Å; I543-L547 WeakPolarHBondContact O-CB 3.27Å; I543-L547 VanDerWaalsContact O-CG 3.31Å; I543-L547 WeakPolarHBondContact O-CG 3.47Å; I543-L547 PolarHBondContact O-N 3.35Å; M544-L547 PolarHBondContact O-N 3.12Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 VanDerWaalsContact O-N 3.16Å; L547-G551 PolarHBondContact O-N 2.88Å; L547-A552 HydrophobicContact CB-CB 3.91Å; L547-A552 WeakPolarHBondContact O-CB 3.3Å; L547-A552 PolarHBondContact O-N 3.48Å
548I92.7Very high91.6Very high23 Ų2335.5 Ų35.512%0.11819%0.192CC..Hα-helixtrans-62.5-47.8177.8-66.2161.1000110.5L532 M544 L546 S550 G551 F554 I578 H583L532-I548 HydrophobicContact CD1-CD1 4.28Å; L532-I548 HydrophobicContact CD1-CG1 3.98Å; L532-I548 HydrophobicContact CD2-CG1 4.13Å; M544-I548 WeakPolarHBondContact O-CB 3.42Å; M544-I548 WeakPolarHBondContact O-CD1 3.38Å; M544-I548 WeakPolarHBondContact O-CG1 3.44Å; M544-I548 PolarHBondContact O-N 3.33Å; L546-I548 VanDerWaalsContact C-N 3.34Å; L546-I548 PolarHBondContact O-N 3.44Å; I548-S550 PolarHBondContact O-N 3.26Å; I548-G551 PolarHBondContact O-N 3.4Å; I548-F554 HydrophobicContact CD1-CD2 3.63Å; I548-F554 HydrophobicContact CD1-CE2 4.03Å; I548-F554 HydrophobicContact CG1-CD2 4.15Å; I548-I578 HydrophobicContact CD1-CD1 4.42Å; I548-I578 HydrophobicContact CD1-CG2 3.98Å; I548-H583 WeakPolarHBondContact CG2-ND1 3.19Å
549K92.7Very high91.6Very high183 Ų18340.1 Ų40.180%0.79622%0.216SC*.Hα-helixtrans-59.3-29.7175.4-77.1175.6179.4178.80112.5N545 L546 G551N545-K549 WeakPolarHBondContact O-CB 3.33Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.37Å; N545-K549 PolarHBondContact O-N 2.96Å; L546-K549 PolarHBondContact O-N 2.92Å; K549-G551 VanDerWaalsContact C-N 3.32Å
550S95.3Very high91.6Very high47 Ų4742.9 Ų42.933%0.32923%0.227SC..THydrogen-bonded Turntrans-87.14.2177.5-59.60000114.2I515 L546 L547 I548I515-S550 WeakPolarHBondContact CG2-OG 3.21Å; L546-S550 WeakPolarHBondContact O-CB 3.41Å; L546-S550 PolarHBondContact O-N 3.2Å; L546-S550 PolarHBondContact O-OG 2.89Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 VanDerWaalsContact O-N 3.16Å; I548-S550 PolarHBondContact O-N 3.26Å
551G91.6Very high91.6Very high38 Ų3847.6 Ų47.639%0.39225%0.247SC..THydrogen-bonded Turntrans99.815.8173.500000115.6N522 L547 I548 K549 H553N522-G551 PolarHBondContact ND2-O 3.02Å; L547-G551 PolarHBondContact O-N 2.88Å; I548-G551 PolarHBondContact O-N 3.4Å; K549-G551 VanDerWaalsContact C-N 3.32Å; G551-H553 PolarHBondContact O-N 2.88Å
552A91.3Very high91.7Very high8 Ų849.9 Ų49.97%0.06626%0.255CS..  trans-65.7132170.900000110.8V521 N522 L532 L547 F554V521-A552 HydrophobicContact CB-CB 4.39Å; N522-A552 WeakPolarHBondContact OD1-CA 3.47Å; L532-A552 HydrophobicContact CB-CB 4.24Å; L532-A552 HydrophobicContact CD2-CB 4.19Å; L547-A552 HydrophobicContact CB-CB 3.91Å; L547-A552 WeakPolarHBondContact O-CB 3.3Å; L547-A552 PolarHBondContact O-N 3.48Å; A552-F554 PolarHBondContact O-N 3.25Å
553H86.2Confident91.6Very high69 Ų6945.7 Ų45.732%0.31923%0.234SC..  trans-75.2109178.9-68.7-63.8000111.5N522 G551 D555 A556N522-H553 PolarHBondContact OD1-CD2 3.38Å; N522-H553 VanDerWaalsContact OD1-CD2 3.29Å; N522-H553 PolarHBondContact OD1-N 3.49Å; G551-H553 PolarHBondContact O-N 2.88Å; H553-D555 VanDerWaalsContact C-N 3.33Å; H553-D555 PolarHBondContact O-N 3.26Å; H553-A556 HydrophobicContact CB-CB 3.98Å; H553-A556 WeakPolarHBondContact O-CB 3.11Å; H553-A556 PolarHBondContact O-N 2.9Å
554F85.1Confident91.3Very high7 Ų745.7 Ų45.73%0.03123%0.234CC..THydrogen-bonded Turntrans-62.6-36.6-178.2-168.9-91.5000113.6L532 I548 A552 I578 P580 H583L532-F554 HydrophobicContact CD2-CD2 4.23Å; I548-F554 HydrophobicContact CD1-CD2 3.63Å; I548-F554 HydrophobicContact CD1-CE2 4.03Å; I548-F554 HydrophobicContact CG1-CD2 4.15Å; A552-F554 PolarHBondContact O-N 3.25Å; F554-I578 HydrophobicContact CD2-CG2 4.36Å; F554-I578 HydrophobicContact CE2-CG2 3.54Å; F554-I578 HydrophobicContact CZ-CG2 4.08Å; F554-P580 HydrophobicContact CD1-CB 4.41Å; F554-P580 HydrophobicContact CE1-CB 3.58Å; F554-P580 HydrophobicContact CE1-CG 3.81Å; F554-P580 HydrophobicContact CZ-CB 4.24Å; F554-P580 HydrophobicContact CZ-CG 4.02Å; F554-H583 HydrophobicContact CB-CB 3.64Å; F554-H583 HydrophobicContact CD1-CB 4.2Å; F554-H583 HydrophobicContact CD2-CB 4.32Å; F554-H583 HydrophobicContact CG-CB 3.78Å
555D85.7Confident90.9Very high5 Ų546.8 Ų46.83%0.02724%0.241CC..THydrogen-bonded Turntrans-91.23.6-176.6-71.6-31.4000114H553 T584 C588 R592 H616H553-D555 VanDerWaalsContact C-N 3.33Å; H553-D555 PolarHBondContact O-N 3.26Å; D555-T584 PolarHBondContact OD1-OG1 3.29Å; D555-T584 WeakPolarHBondContact OD2-CA 3.39Å; D555-T584 VanDerWaalsContact OD2-CB 3.29Å; D555-T584 WeakPolarHBondContact OD2-CB 3.26Å; D555-T584 VanDerWaalsContact OD2-CG2 3.25Å; D555-T584 WeakPolarHBondContact OD2-CG2 3.19Å; D555-T584 PolarHBondContact OD2-OG1 3.28Å; D555-C588 HydrophobicContact CB-CB 4.11Å; D555-C588 WeakPolarHBondContact OD2-CB 3.49Å; D555-R592 IonicContact OD1-CZ 3.87Å; D555-R592 IonicContact OD1-NH1 3.77Å; D555-R592 IonicContact OD1-NH2 3.12Å; D555-R592 PolarHBondContact OD1-NH2 3.17Å; D555-R592 IonicContact OD2-CZ 2.73Å; D555-R592 IonicContact OD2-NH1 2.66Å; D555-R592 IonicContact OD2-NH2 3.62Å; D555-H616 PolarHBondContact O-CD2 2.93Å
556A88.2Confident90.7Very high1 Ų149.1 Ų49.11%0.00825%0.254CS..  trans-64140.7174.700000110.4H533 H553 T563 L615H533-A556 PolarHBondContact CE1-O 2.88Å; H533-A556 VanDerWaalsContact CE1-O 3.29Å; H533-A556 PolarHBondContact NE2-O 3.35Å; H553-A556 HydrophobicContact CB-CB 3.98Å; H553-A556 WeakPolarHBondContact O-CB 3.11Å; H553-A556 PolarHBondContact O-N 2.9Å; A556-T563 WeakPolarHBondContact O-CA 3.15Å; A556-L615 CarbonylContact C-O 3.51Å; A556-L615 VanDerWaalsContact CA-O 3.25Å; A556-L615 WeakPolarHBondContact CA-O 3.48Å; A556-L615 HydrophobicContact CB-CB 4.48Å
557T91.2Very high90.4Very high15 Ų1548.3 Ų48.39%0.09225%0.25CC..BIsolated β-bridgetrans-102.9151.5175.648.50000111.1Q562 T563 L615 H616 R617T557-Q562 WeakPolarHBondContact CA-O 3.18Å; T557-T563 HydrophobicContact CG2-CG2 3.97Å; T557-L615 PolarHBondContact N-O 3.27Å; T557-L615 PolarHBondContact OG1-O 3.36Å; T557-H616 VanDerWaalsContact OG1-C 3.26Å; T557-R617 WeakPolarHBondContact CB-O 3.44Å; T557-R617 PolarHBondContact OG1-N 3.48Å; T557-R617 VanDerWaalsContact OG1-N 3.17Å; T557-R617 PolarHBondContact OG1-O 3Å
558N92.5Very high89.9Confident5 Ų549.4 Ų49.43%0.02726%0.255CS..  trans-88.4-176.2166.370.65.8000111.3D527 N529 H560 K561 Q562D527-N558 WeakPolarHBondContact O-CB 3.42Å; N529-N558 VanDerWaalsContact OD1-CB 3.27Å; N529-N558 WeakPolarHBondContact OD1-CB 3.37Å; N529-N558 PolarHBondContact OD1-ND2 3.33Å; N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CA 3.34Å; N558-H560 WeakPolarHBondContact OD1-CB 3.49Å; N558-H560 PolarHBondContact OD1-N 3.47Å; N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.44Å; N558-Q562 PolarHBondContact N-O 2.89Å; N558-Q562 PolarHBondContact OD1-N 3.11Å; N558-Q562 PolarHBondContact OD1-O 3.3Å
559L92.4Very high89.3Confident122 Ų12251.7 Ų51.764%0.63927%0.268SS*.THydrogen-bonded Turntrans-59-23.5179.5-169.667.3000113.5D527 D528 K561D527-L559 VanDerWaalsContact O-CB 3.23Å; D527-L559 WeakPolarHBondContact O-CB 3.44Å; D527-L559 PolarHBondContact O-N 3.47Å; D528-L559 HydrophobicContact CB-CB 4.48Å; L559-K561 VanDerWaalsContact C-N 3.3Å
560H92.3Very high88.3Confident119 Ų11950.8 Ų50.855%0.55127%0.266SS*.THydrogen-bonded Turntrans-88.65.9177.2-59.2-88.2000113.3N558 Q562N558-H560 PolarHBondContact O-N 2.91Å; N558-H560 WeakPolarHBondContact OD1-CA 3.34Å; N558-H560 WeakPolarHBondContact OD1-CB 3.49Å; N558-H560 PolarHBondContact OD1-N 3.47Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 2.84Å
561K90.2Very high87.2Confident144 Ų14456 Ų5663%0.62628%0.283SS*.SBendtrans62.425.1-176-53.7-178.3174.9-176.70113.8N558 L559 R617N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.44Å; L559-K561 VanDerWaalsContact C-N 3.3Å; K561-R617 WeakPolarHBondContact CE-OXT 3.25Å
562Q91Very high86Confident72 Ų7256.1 Ų56.134%0.33627%0.273SS..  trans-98.5131.4178.4-60.8178.2-71.700108.7H533 T557 N558 H560 D566 L567H533-Q562 PolarHBondContact NE2-O 2.91Å; T557-Q562 WeakPolarHBondContact CA-O 3.18Å; N558-Q562 PolarHBondContact N-O 2.89Å; N558-Q562 PolarHBondContact OD1-N 3.11Å; N558-Q562 PolarHBondContact OD1-O 3.3Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 2.84Å; Q562-D566 HydrophobicContact CB-CB 4.11Å; Q562-L567 HydrophobicContact CB-CD2 3.92Å; Q562-L567 HydrophobicContact CB-CG 4.19Å; Q562-L567 HydrophobicContact CG-CD2 4.37Å
563T90.3Very high84.6Confident12 Ų1259.4 Ų59.47%0.07429%0.289CS..BIsolated β-bridgetrans-80.4167.3167.566.70000110.3A556 T557 S565 D566 L567A556-T563 WeakPolarHBondContact O-CA 3.15Å; T557-T563 HydrophobicContact CG2-CG2 3.97Å; T563-S565 PolarHBondContact O-N 2.98Å; T563-S565 PolarHBondContact OG1-N 2.66Å; T563-D566 WeakPolarHBondContact CB-OD2 3.49Å; T563-D566 PolarHBondContact N-OD2 2.65Å; T563-D566 PolarHBondContact O-N 2.82Å; T563-D566 VanDerWaalsContact OG1-CG 3.25Å; T563-D566 PolarHBondContact OG1-N 3.32Å; T563-D566 PolarHBondContact OG1-OD2 3.29Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.88Å
564A90Very high83.4Confident0 Ų059.9 Ų59.90%031%0.305CS..THydrogen-bonded Turntrans-57.2-30171.700000112.8L532 H533 A536 M544 L567L532-A564 HydrophobicContact CB-CB 4.47Å; L532-A564 HydrophobicContact CD2-CB 3.99Å; L532-A564 HydrophobicContact CG-CB 3.65Å; H533-A564 PolarHBondContact CD2-N 2.81Å; A536-A564 HydrophobicContact CB-CB 4.15Å; A536-A564 WeakPolarHBondContact CB-O 3.46Å; M544-A564 HydrophobicContact CE-CB 4.25Å; A564-L567 PolarHBondContact O-N 2.67Å
565S86.4Confident82.5Confident23 Ų2365.2 Ų65.216%0.16133%0.328CS..THydrogen-bonded Turntrans-68.7-34.7175.4-167.70000112.6T563 L567 L568T563-S565 PolarHBondContact O-N 2.98Å; T563-S565 PolarHBondContact OG1-N 2.66Å; S565-L567 PolarHBondContact O-N 3.35Å; S565-L568 PolarHBondContact O-N 3.19Å
566D88.1Confident81.4Confident98 Ų9870.4 Ų70.452%0.52436%0.356SS..THydrogen-bonded Turntrans-73.2-18.3-179.9-56.5-49000112.4Q562 T563Q562-D566 HydrophobicContact CB-CB 4.11Å; T563-D566 WeakPolarHBondContact CB-OD2 3.49Å; T563-D566 PolarHBondContact N-OD2 2.65Å; T563-D566 PolarHBondContact O-N 2.82Å; T563-D566 VanDerWaalsContact OG1-CG 3.25Å; T563-D566 PolarHBondContact OG1-N 3.32Å; T563-D566 PolarHBondContact OG1-OD2 3.29Å
567L89.4Confident80.4Confident24 Ų2474.6 Ų74.613%0.12638%0.378CS..THydrogen-bonded Turntrans-93.4-10-179.9-62.1178.4000113.5H533 A536 L537 Q562 T563 A564 S565H533-L567 HydrophobicContact CB-CD1 3.78Å; A536-L567 HydrophobicContact CB-CB 4.13Å; L537-L567 HydrophobicContact CD1-CD1 4.29Å; L537-L567 HydrophobicContact CD2-CB 4.04Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 3.98Å; L537-L567 HydrophobicContact CD2-CG 4.32Å; L537-L567 HydrophobicContact CG-CB 4.14Å; L537-L567 HydrophobicContact CG-CD1 3.98Å; L537-L567 HydrophobicContact CG-CG 4.45Å; Q562-L567 HydrophobicContact CB-CD2 3.92Å; Q562-L567 HydrophobicContact CB-CG 4.19Å; Q562-L567 HydrophobicContact CG-CD2 4.37Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 2.88Å; A564-L567 PolarHBondContact O-N 2.67Å; S565-L567 PolarHBondContact O-N 3.35Å
568L85.9Confident79.4Confident23 Ų2375 Ų7512%0.1238%0.379CS..SBendtrans-72142.1174.9-78.6172.9000110.8A536 M544 S565 E570 I573A536-L568 HydrophobicContact CB-CD2 4.07Å; A536-L568 HydrophobicContact CB-CG 4.06Å; M544-L568 HydrophobicContact CE-CD1 3.98Å; M544-L568 HydrophobicContact CE-CD2 4.29Å; M544-L568 HydrophobicContact CE-CG 4.23Å; M544-L568 HydrophobicContact SD-CD1 4.32Å; M544-L568 HydrophobicContact SD-CD2 3.72Å; M544-L568 HydrophobicContact SD-CG 4.31Å; S565-L568 PolarHBondContact O-N 3.19Å; L568-E570 PolarHBondContact O-N 3.5Å; L568-I573 HydrophobicContact CB-CD1 4.1Å; L568-I573 HydrophobicContact CB-CG1 3.77Å; L568-I573 HydrophobicContact CD1-CG1 4.46Å
569D78.9Confident78.5Confident71 Ų7178.9 Ų78.938%0.3840%0.397SS..  trans-59.2136.5169.9-172.6-17.2000110.1N539 K571 E572 I573N539-D569 PolarHBondContact OD1-N 3.41Å; D569-K571 PolarHBondContact O-N 3.37Å; D569-K571 PolarHBondContact OD1-N 3.36Å; D569-E572 PolarHBondContact O-N 3.36Å; D569-I573 PolarHBondContact O-N 3.27Å; D569-I573 VanDerWaalsContact O-N 3.13Å
570E72.7Confident77.5Confident164 Ų16475.5 Ų75.577%0.76638%0.382SS*.Hα-helixtrans-49.9-34.5178.1-67.3-177.7172.900112L568 E572 I573 A574L568-E570 PolarHBondContact O-N 3.5Å; E570-E572 PolarHBondContact O-N 3.12Å; E570-I573 PolarHBondContact O-N 3.04Å; E570-A574 PolarHBondContact O-N 2.72Å; E570-A574 VanDerWaalsContact O-N 3.08Å
571K70.9Confident76.5Confident155 Ų15576.3 Ų76.367%0.67439%0.389SS*.Hα-helixtrans-66.2-34.2177.2-68.1179.9-177.7172.60113.7D569D569-K571 PolarHBondContact O-N 3.37Å; D569-K571 PolarHBondContact OD1-N 3.36Å
572E66.7Low76Confident42 Ų4274.6 Ų74.620%0.19639%0.387CS..Hα-helixtrans-80.6-34.5178.1-65.6-54.913200111.3N539 D569 E570 A574 K575N539-E572 HydrophobicContact CB-CG 4.3Å; D569-E572 PolarHBondContact O-N 3.36Å; E570-E572 PolarHBondContact O-N 3.12Å; E572-A574 VanDerWaalsContact C-N 3.26Å; E572-A574 PolarHBondContact O-N 2.93Å; E572-K575 VanDerWaalsContact CD-NZ 3.27Å; E572-K575 WeakPolarHBondContact O-CB 3.46Å; E572-K575 PolarHBondContact O-N 3.1Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.2Å; E572-K575 PolarHBondContact OE1-NZ 3.49Å; E572-K575 WeakPolarHBondContact OE2-CD 3.18Å; E572-K575 IonicContact OE2-NZ 3.85Å; E572-K575 PolarHBondContact OE2-NZ 3.03Å; E572-K575 VanDerWaalsContact OE2-NZ 3.09Å
573I63.4Low75.4Confident76 Ų7674 Ų7439%0.3938%0.384SS..Hα-helixtrans-57.3-43.9170.9-63.2171.7000109.9L568 D569 E570 K575 N576L568-I573 HydrophobicContact CB-CD1 4.1Å; L568-I573 HydrophobicContact CB-CG1 3.77Å; L568-I573 HydrophobicContact CD1-CG1 4.46Å; D569-I573 PolarHBondContact O-N 3.27Å; D569-I573 VanDerWaalsContact O-N 3.13Å; E570-I573 PolarHBondContact O-N 3.04Å; I573-K575 PolarHBondContact O-N 3.24Å; I573-N576 PolarHBondContact O-N 2.9Å
574A60.1Low74.9Confident79 Ų7975.1 Ų75.165%0.65339%0.391SS*.THydrogen-bonded Turntrans-62.2-22.8178.400000114.2E570 E572 N576E570-A574 PolarHBondContact O-N 2.72Å; E570-A574 VanDerWaalsContact O-N 3.08Å; E572-A574 VanDerWaalsContact C-N 3.26Å; E572-A574 PolarHBondContact O-N 2.93Å; A574-N576 PolarHBondContact O-N 2.92Å
575K67.1Low74.7Confident120 Ų12078.2 Ų78.252%0.52241%0.41SS..THydrogen-bonded Turntrans-77.1-4.1174.8-65.6177.5-171.6164.70113.2E572 I573 L577E572-K575 VanDerWaalsContact CD-NZ 3.27Å; E572-K575 WeakPolarHBondContact O-CB 3.46Å; E572-K575 PolarHBondContact O-N 3.1Å; E572-K575 VanDerWaalsContact O-N 3.1Å; E572-K575 IonicContact OE1-NZ 3.2Å; E572-K575 PolarHBondContact OE1-NZ 3.49Å; E572-K575 WeakPolarHBondContact OE2-CD 3.18Å; E572-K575 IonicContact OE2-NZ 3.85Å; E572-K575 PolarHBondContact OE2-NZ 3.03Å; E572-K575 VanDerWaalsContact OE2-NZ 3.09Å; I573-K575 PolarHBondContact O-N 3.24Å; K575-L577 HydrophobicContact CB-CD1 4.04Å; K575-L577 HydrophobicContact CB-CG 3.82Å; K575-L577 HydrophobicContact CD-CD1 4.15Å; K575-L577 PolarHBondContact O-N 2.88Å; K575-L577 VanDerWaalsContact O-N 3.12Å
576N62Low74.7Confident114 Ų11484 Ų8461%0.6144%0.439SS*.THydrogen-bonded Turntrans53.728.4179.6-79.7-28.4000114.2I573 A574 I578I573-N576 PolarHBondContact O-N 2.9Å; A574-N576 PolarHBondContact O-N 2.92Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 3.17Å
577L67Low74.6Confident89 Ų8985 Ų8547%0.46644%0.44SS..SBendtrans-68.5-28.3-173.6-68.2172.3000113.1P541 K575P541-L577 HydrophobicContact CB-CB 4.24Å; P541-L577 HydrophobicContact CB-CD1 4.09Å; P541-L577 HydrophobicContact CG-CD1 3.8Å; K575-L577 HydrophobicContact CB-CD1 4.04Å; K575-L577 HydrophobicContact CB-CG 3.82Å; K575-L577 HydrophobicContact CD-CD1 4.15Å; K575-L577 PolarHBondContact O-N 2.88Å; K575-L577 VanDerWaalsContact O-N 3.12Å
578I70.1Confident74.5Confident22 Ų2284.2 Ų84.211%0.11344%0.436CS..SBendtrans-135.8117.4175.4-54.2175.7000107.1P541 M544 I548 F554 N576 P580P541-I578 HydrophobicContact CB-CD1 4.4Å; M544-I578 HydrophobicContact CB-CD1 3.44Å; M544-I578 VanDerWaalsContact CB-CD1 3.44Å; M544-I578 HydrophobicContact CE-CD1 3.82Å; M544-I578 HydrophobicContact CG-CD1 4.26Å; M544-I578 HydrophobicContact SD-CD1 3.83Å; I548-I578 HydrophobicContact CD1-CD1 4.42Å; I548-I578 HydrophobicContact CD1-CG2 3.98Å; F554-I578 HydrophobicContact CD2-CG2 4.36Å; F554-I578 HydrophobicContact CE2-CG2 3.54Å; F554-I578 HydrophobicContact CZ-CG2 4.08Å; N576-I578 VanDerWaalsContact C-N 3.29Å; N576-I578 PolarHBondContact O-N 3.17Å; I578-P580 WeakPolarHBondContact O-CD 3.46Å
579Q72.8Confident74.5Confident87 Ų8787.2 Ų87.241%0.40745%0.452SS..  trans-94.3114.4178.5-68.4-175.7-6.600109.6I581 N582 H583Q579-I581 HydrophobicContact CB-CG2 4.26Å; Q579-I581 PolarHBondContact O-N 3.21Å; Q579-I581 VanDerWaalsContact O-N 3.12Å; Q579-N582 PolarHBondContact O-N 3.06Å; Q579-N582 PolarHBondContact OE1-ND2 3.01Å; Q579-H583 PolarHBondContact O-CD2 3.42Å
580P71.8Confident75Confident51 Ų5186.3 Ų86.333%0.33146%0.455SS..G310 helixtrans-50.8-39.2178.9-31.337.3000113.8F554 I578 N582 H583 T584F554-P580 HydrophobicContact CD1-CB 4.41Å; F554-P580 HydrophobicContact CE1-CB 3.58Å; F554-P580 HydrophobicContact CE1-CG 3.81Å; F554-P580 HydrophobicContact CZ-CB 4.24Å; F554-P580 HydrophobicContact CZ-CG 4.02Å; I578-P580 WeakPolarHBondContact O-CD 3.46Å; P580-N582 PolarHBondContact O-N 2.99Å; P580-N582 VanDerWaalsContact O-N 3.1Å; P580-H583 PolarHBondContact O-N 3.21Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.16Å
581I72.7Confident75.8Confident136 Ų13678.6 Ų78.670%0.69742%0.419SS*.G310 helixtrans-59.6-25.3-177.5-159.7163.8000113.7Q579 H583Q579-I581 HydrophobicContact CB-CG2 4.26Å; Q579-I581 PolarHBondContact O-N 3.21Å; Q579-I581 VanDerWaalsContact O-N 3.12Å; I581-H583 VanDerWaalsContact C-N 3.26Å; I581-H583 PolarHBondContact O-N 2.8Å
582N78.5Confident76.5Confident109 Ų10974.7 Ų74.758%0.58340%0.4SS*.G310 helixtrans-80.4-9.4178.6-65.8-20000112.9Q579 P580Q579-N582 PolarHBondContact O-N 3.06Å; Q579-N582 PolarHBondContact OE1-ND2 3.01Å; P580-N582 PolarHBondContact O-N 2.99Å; P580-N582 VanDerWaalsContact O-N 3.1Å
583H78.5Confident77.6Confident59 Ų5976.2 Ų76.227%0.27341%0.412SS..THydrogen-bonded Turntrans-122.6-16.4-174.2-56.1-55.2000113.3I548 F554 Q579 P580 I581 T585I548-H583 WeakPolarHBondContact CG2-ND1 3.19Å; F554-H583 HydrophobicContact CB-CB 3.64Å; F554-H583 HydrophobicContact CD1-CB 4.2Å; F554-H583 HydrophobicContact CD2-CB 4.32Å; F554-H583 HydrophobicContact CG-CB 3.78Å; Q579-H583 PolarHBondContact O-CD2 3.42Å; P580-H583 PolarHBondContact O-N 3.21Å; I581-H583 VanDerWaalsContact C-N 3.26Å; I581-H583 PolarHBondContact O-N 2.8Å; H583-T585 PolarHBondContact O-N 3.4Å
584T80.8Confident78.9Confident36 Ų3674.2 Ų74.222%0.22140%0.402CS..  trans-73.8115.1173.7-61.40000111.3D555 P580 C588 L589D555-T584 PolarHBondContact OD1-OG1 3.29Å; D555-T584 WeakPolarHBondContact OD2-CA 3.39Å; D555-T584 VanDerWaalsContact OD2-CB 3.29Å; D555-T584 WeakPolarHBondContact OD2-CB 3.26Å; D555-T584 VanDerWaalsContact OD2-CG2 3.25Å; D555-T584 WeakPolarHBondContact OD2-CG2 3.19Å; D555-T584 PolarHBondContact OD2-OG1 3.28Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.16Å; T584-C588 HydrophobicContact CG2-CB 4.31Å; T584-L589 HydrophobicContact CG2-CD2 3.67Å; T584-L589 HydrophobicContact CG2-CG 3.84Å
585T84.6Confident80.2Confident65 Ų6572 Ų7240%0.39938%0.38SS..  trans-89.9161.3176.774.40000111.7H583 Q587 C588 L589H583-T585 PolarHBondContact O-N 3.4Å; T585-Q587 PolarHBondContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 3.48Å; T585-C588 WeakPolarHBondContact O-CA 3.39Å; T585-C588 WeakPolarHBondContact O-CB 3.35Å; T585-C588 PolarHBondContact O-N 3.04Å; T585-C588 PolarHBondContact OG1-N 3.35Å; T585-C588 PolarHBondContact OG1-SG 3.02Å; T585-L589 PolarHBondContact O-N 3.19Å; T585-L589 VanDerWaalsContact O-N 3.07Å
586L86.2Confident81.1Confident145 Ų14572.1 Ų72.176%0.75939%0.386SS*.Hα-helixtrans-57.2-33.9173.1-176.464.3000112.1L589 A590L586-L589 PolarHBondContact O-N 3.2Å; L586-A590 PolarHBondContact O-N 3.27Å
587Q86.1Confident82.6Confident118 Ų11873.3 Ų73.355%0.55139%0.388SS*.Hα-helixtrans-63.7-41.7173.9-68.1179.7-17.100111.4T585 L589 A590 A591 F612T585-Q587 PolarHBondContact O-N 3.17Å; T585-Q587 PolarHBondContact OG1-N 3.48Å; Q587-L589 VanDerWaalsContact C-N 3.35Å; Q587-L589 PolarHBondContact O-N 3.3Å; Q587-A590 PolarHBondContact O-N 3.42Å; Q587-A591 WeakPolarHBondContact O-CB 3.37Å; Q587-A591 PolarHBondContact O-N 3.17Å; Q587-F612 HydrophobicContact CB-CE1 3.71Å; Q587-F612 HydrophobicContact CB-CZ 3.76Å; Q587-F612 WeakPolarHBondContact O-CE1 3.4Å
588C87.2Confident83.6Confident8 Ų880 Ų805%0.05441%0.407CS..Hα-helixtrans-61.5-43.5175.7-57.20000111.2D555 T584 T585 A590 A591 R592 H616D555-C588 HydrophobicContact CB-CB 4.11Å; D555-C588 WeakPolarHBondContact OD2-CB 3.49Å; T584-C588 HydrophobicContact CG2-CB 4.31Å; T585-C588 WeakPolarHBondContact O-CA 3.39Å; T585-C588 WeakPolarHBondContact O-CB 3.35Å; T585-C588 PolarHBondContact O-N 3.04Å; T585-C588 PolarHBondContact OG1-N 3.35Å; T585-C588 PolarHBondContact OG1-SG 3.02Å; C588-A590 PolarHBondContact O-N 2.96Å; C588-A591 PolarHBondContact O-N 2.61Å; C588-R592 WeakPolarHBondContact O-CG 3.43Å; C588-R592 PolarHBondContact O-N 3.48Å; C588-H616 WeakPolarHBondContact CA-NE2 3.39Å; C588-H616 WeakPolarHBondContact CB-NE2 3.47Å
589L86.9Confident84.6Confident86 Ų8683 Ų8345%0.4542%0.422SS..Hα-helixtrans-60.6-45.5175.6-65.3175.9000111.8T584 T585 L586 Q587 R592 V593T584-L589 HydrophobicContact CG2-CD2 3.67Å; T584-L589 HydrophobicContact CG2-CG 3.84Å; T585-L589 PolarHBondContact O-N 3.19Å; T585-L589 VanDerWaalsContact O-N 3.07Å; L586-L589 PolarHBondContact O-N 3.2Å; Q587-L589 VanDerWaalsContact C-N 3.35Å; Q587-L589 PolarHBondContact O-N 3.3Å; L589-R592 PolarHBondContact O-N 3.17Å; L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.99Å; L589-V593 VanDerWaalsContact O-N 3.07Å
590A89.2Confident85.5Confident52 Ų5286.7 Ų86.743%0.4343%0.433SS..Hα-helixtrans-63.7-42.9177.300000112.2L586 Q587 C588 R592 V593 I594L586-A590 PolarHBondContact O-N 3.27Å; Q587-A590 PolarHBondContact O-N 3.42Å; C588-A590 PolarHBondContact O-N 2.96Å; A590-R592 PolarHBondContact O-N 3.47Å; A590-V593 PolarHBondContact O-N 3.29Å; A590-I594 WeakPolarHBondContact O-CG1 3.34Å; A590-I594 PolarHBondContact O-N 3.06Å
591A88.9Confident86.4Confident2 Ų285 Ų852%0.01742%0.42CS..Hα-helixtrans-60.4-43.9175.600000112Q587 C588 V593 I594 V595 F612 V613 H616Q587-A591 WeakPolarHBondContact O-CB 3.37Å; Q587-A591 PolarHBondContact O-N 3.17Å; C588-A591 PolarHBondContact O-N 2.61Å; A591-V593 PolarHBondContact O-N 3.38Å; A591-I594 WeakPolarHBondContact O-CB 3.19Å; A591-I594 PolarHBondContact O-N 3.12Å; A591-V595 WeakPolarHBondContact O-CG2 3.25Å; A591-V595 PolarHBondContact O-N 3.41Å; A591-F612 HydrophobicContact CB-CD1 4.15Å; A591-F612 HydrophobicContact CB-CE1 3.95Å; A591-V613 HydrophobicContact CB-CB 4.46Å; A591-V613 HydrophobicContact CB-CG2 4.08Å; A591-H616 HydrophobicContact CB-CB 4.3Å
592R86Confident87.2Confident72 Ų7283.5 Ų83.527%0.27241%0.409SS..Hα-helixtrans-59.7-42.3174.7-76.3176.2173.4157.11.2112.4D555 C588 L589 A590 I594 V595 N596D555-R592 IonicContact OD1-CZ 3.87Å; D555-R592 IonicContact OD1-NH1 3.77Å; D555-R592 IonicContact OD1-NH2 3.12Å; D555-R592 PolarHBondContact OD1-NH2 3.17Å; D555-R592 IonicContact OD2-CZ 2.73Å; D555-R592 IonicContact OD2-NH1 2.66Å; D555-R592 IonicContact OD2-NH2 3.62Å; C588-R592 WeakPolarHBondContact O-CG 3.43Å; C588-R592 PolarHBondContact O-N 3.48Å; L589-R592 PolarHBondContact O-N 3.17Å; A590-R592 PolarHBondContact O-N 3.47Å; R592-I594 VanDerWaalsContact C-N 3.34Å; R592-I594 PolarHBondContact O-N 3.18Å; R592-V595 PolarHBondContact O-N 2.89Å; R592-N596 WeakPolarHBondContact O-CB 3.29Å; R592-N596 PolarHBondContact O-N 2.8Å; R592-N596 PolarHBondContact O-ND2 3.31Å
593V90Very high87.9Confident74 Ų7481.7 Ų81.745%0.44842%0.416SS..Hα-helixtrans-60.7-45.81761710000110.4L589 A590 A591 V595 H597 I599L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 2.99Å; L589-V593 VanDerWaalsContact O-N 3.07Å; A590-V593 PolarHBondContact O-N 3.29Å; A591-V593 PolarHBondContact O-N 3.38Å; V593-V595 PolarHBondContact O-N 3.47Å; V593-H597 WeakPolarHBondContact O-CB 3.22Å; V593-H597 PolarHBondContact O-CD2 3.21Å; V593-H597 VanDerWaalsContact O-CD2 3.31Å; V593-H597 PolarHBondContact O-N 3Å; V593-I599 HydrophobicContact CG1-CD1 4.44Å
594I90.2Very high88.5Confident35 Ų3585.7 Ų85.718%0.17944%0.435CS..Hα-helixtrans-58.3-47.4176.8-67.8168000111A590 A591 R592 R598 I599 Y601 V613A590-I594 WeakPolarHBondContact O-CG1 3.34Å; A590-I594 PolarHBondContact O-N 3.06Å; A591-I594 WeakPolarHBondContact O-CB 3.19Å; A591-I594 PolarHBondContact O-N 3.12Å; R592-I594 VanDerWaalsContact C-N 3.34Å; R592-I594 PolarHBondContact O-N 3.18Å; I594-R598 WeakPolarHBondContact O-CA 3.44Å; I594-R598 PolarHBondContact O-N 3.05Å; I594-R598 VanDerWaalsContact O-N 3.12Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.32Å; I594-Y601 HydrophobicContact CG2-CD1 3.32Å; I594-Y601 HydrophobicContact CG2-CE1 3.91Å; I594-Y601 HydrophobicContact CG2-CG 4.02Å; I594-V613 HydrophobicContact CB-CG1 4.26Å; I594-V613 HydrophobicContact CD1-CG2 4.08Å; I594-V613 HydrophobicContact CG2-CG1 3.8Å
595V87Confident88.9Confident31 Ų3186.2 Ų86.219%0.18844%0.436CS..Hα-helixtrans-66.5-50.8180172.50000111.6A591 R592 V593 H597 R598 V613 H616 R617A591-V595 WeakPolarHBondContact O-CG2 3.25Å; A591-V595 PolarHBondContact O-N 3.41Å; R592-V595 PolarHBondContact O-N 2.89Å; V593-V595 PolarHBondContact O-N 3.47Å; V595-H597 VanDerWaalsContact C-N 3.35Å; V595-H597 PolarHBondContact O-N 3.36Å; V595-R598 PolarHBondContact O-N 3.44Å; V595-V613 HydrophobicContact CG2-CG1 4.03Å; V595-H616 HydrophobicContact CG2-CB 4.39Å; V595-R617 HydrophobicContact CG1-CG 4.45Å; V595-R617 HydrophobicContact CG2-CG 3.89Å
596N87.8Confident89.3Confident123 Ų12387.4 Ų87.466%0.65845%0.445SS*.Hα-helixtrans-62.5-40.6-176-72.6-16.3000112.2R592 R598R592-N596 WeakPolarHBondContact O-CB 3.29Å; R592-N596 PolarHBondContact O-N 2.8Å; R592-N596 PolarHBondContact O-ND2 3.31Å; N596-R598 VanDerWaalsContact C-N 3.3Å
597H92.1Very high89.3Confident139 Ų13988 Ų8864%0.64444%0.443SS*.THydrogen-bonded Turntrans-87.53.7177.2-69.1-79.7000113.5V593 V595 I599V593-H597 WeakPolarHBondContact O-CB 3.22Å; V593-H597 PolarHBondContact O-CD2 3.21Å; V593-H597 VanDerWaalsContact O-CD2 3.31Å; V593-H597 PolarHBondContact O-N 3Å; V595-H597 VanDerWaalsContact C-N 3.35Å; V595-H597 PolarHBondContact O-N 3.36Å; H597-I599 HydrophobicContact CB-CD1 3.98Å; H597-I599 HydrophobicContact CB-CG1 3.72Å; H597-I599 PolarHBondContact O-N 3.49Å
598R88.6Confident89.3Confident230 Ų23090.9 Ų90.987%0.86845%0.454SS*.THydrogen-bonded Turntrans51.636.7-177.8-55.3-179.6-179.2-178.10.1112.8I594 V595 N596 Y600I594-R598 WeakPolarHBondContact O-CA 3.44Å; I594-R598 PolarHBondContact O-N 3.05Å; I594-R598 VanDerWaalsContact O-N 3.12Å; V595-R598 PolarHBondContact O-N 3.44Å; N596-R598 VanDerWaalsContact C-N 3.3Å; R598-Y600 PolarHBondContact O-N 2.95Å
599I91.6Very high89.4Confident84 Ų8494 Ų9443%0.43147%0.47SS..  trans-67.7125.9-179.4-58.5175.5000107.9V593 I594 H597 Y601V593-I599 HydrophobicContact CG1-CD1 4.44Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.32Å; H597-I599 HydrophobicContact CB-CD1 3.98Å; H597-I599 HydrophobicContact CB-CG1 3.72Å; H597-I599 PolarHBondContact O-N 3.49Å; I599-Y601 WeakPolarHBondContact O-CD1 3.5Å; I599-Y601 PolarHBondContact O-N 3.07Å
600Y90.9Very high89.5Confident165 Ų16591.8 Ų91.865%0.64746%0.457SS*.  trans-72123.8177.1-176-96000110.2R598 K602 H604R598-Y600 PolarHBondContact O-N 2.95Å; Y600-K602 WeakPolarHBondContact CE1-O 3.37Å; Y600-K602 HydrophobicContact CE2-CB 4.37Å; Y600-K602 PolarHBondContact OH-O 3.45Å; Y600-H604 AromaticContact CD1-CD2 3.53Å; Y600-H604 AromaticContact CD1-NE2 3.55Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.48Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.47Å
601Y90.6Very high89.2Confident15 Ų1593.1 Ų93.16%0.05946%0.46CS..  trans-129.6-15.3-173.966.6-94.8000114.6I594 I599 G603 H604 I605 E610 V613 R617I594-Y601 HydrophobicContact CG2-CD1 3.32Å; I594-Y601 HydrophobicContact CG2-CE1 3.91Å; I594-Y601 HydrophobicContact CG2-CG 4.02Å; I599-Y601 WeakPolarHBondContact O-CD1 3.5Å; I599-Y601 PolarHBondContact O-N 3.07Å; Y601-G603 PolarHBondContact O-N 3.49Å; Y601-H604 WeakPolarHBondContact O-CB 3.41Å; Y601-H604 PolarHBondContact O-N 3.26Å; Y601-I605 HydrophobicContact CD2-CD1 3.56Å; Y601-I605 HydrophobicContact CD2-CG1 4.08Å; Y601-I605 HydrophobicContact CE2-CD1 4.34Å; Y601-I605 HydrophobicContact CG-CD1 4.16Å; Y601-I605 PolarHBondContact O-N 3.35Å; Y601-E610 HydrophobicContact CD2-CB 4.37Å; Y601-E610 HydrophobicContact CD2-CG 4.05Å; Y601-E610 HydrophobicContact CE2-CB 3.93Å; Y601-E610 HydrophobicContact CE2-CG 4.1Å; Y601-V613 HydrophobicContact CD1-CG1 4Å; Y601-V613 HydrophobicContact CD2-CB 4.49Å; Y601-V613 HydrophobicContact CE1-CB 4.26Å; Y601-V613 HydrophobicContact CE1-CG1 3.42Å; Y601-V613 VanDerWaalsContact CE1-CG1 3.42Å; Y601-V613 HydrophobicContact CE2-CB 3.94Å; Y601-V613 HydrophobicContact CE2-CG1 4.02Å; Y601-V613 HydrophobicContact CG-CG1 4.48Å; Y601-R617 VanDerWaalsContact OH-CZ 3.27Å; Y601-R617 PolarHBondContact OH-NE 2.79Å; Y601-R617 PolarHBondContact OH-NH2 3.09Å
602K90Very high89.1Confident105 Ų10594.3 Ų94.346%0.45747%0.465SS..THydrogen-bonded Turntrans-65.8127.2-177.1-68.6-172.5173.1-170.70110.7Y600 H604 E610Y600-K602 WeakPolarHBondContact CE1-O 3.37Å; Y600-K602 HydrophobicContact CE2-CB 4.37Å; Y600-K602 PolarHBondContact OH-O 3.45Å; K602-H604 VanDerWaalsContact C-N 3.25Å; K602-H604 PolarHBondContact O-N 3.37Å; K602-E610 WeakPolarHBondContact CA-OE1 3.4Å
603G91.9Very high89.1Confident72 Ų7291.1 Ų91.174%0.74245%0.453SS*.THydrogen-bonded Turntrans79.4-3.7-172.800000114.8Y601 E610Y601-G603 PolarHBondContact O-N 3.49Å; G603-E610 PolarHBondContact N-OE1 2.95Å
604H91.8Very high88.8Confident142 Ų14290 Ų9066%0.65745%0.449SS*.THydrogen-bonded Turntrans-106.5-16-179.7-65-70.5000113.7Y600 Y601 K602Y600-H604 AromaticContact CD1-CD2 3.53Å; Y600-H604 AromaticContact CD1-NE2 3.55Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.48Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.47Å; Y601-H604 WeakPolarHBondContact O-CB 3.41Å; Y601-H604 PolarHBondContact O-N 3.26Å; K602-H604 VanDerWaalsContact C-N 3.25Å; K602-H604 PolarHBondContact O-N 3.37Å
605I90.5Very high88.5Confident47 Ų4790.2 Ų90.224%0.24145%0.45CS..SBendtrans-125.3157.7176.166.3-179.9000109.3Y601 L609 E610 V613Y601-I605 HydrophobicContact CD2-CD1 3.56Å; Y601-I605 HydrophobicContact CD2-CG1 4.08Å; Y601-I605 HydrophobicContact CE2-CD1 4.34Å; Y601-I605 HydrophobicContact CG-CD1 4.16Å; Y601-I605 PolarHBondContact O-N 3.35Å; I605-L609 HydrophobicContact CB-CB 4.36Å; I605-L609 HydrophobicContact CD1-CB 3.77Å; I605-L609 HydrophobicContact CG1-CB 4.13Å; I605-E610 HydrophobicContact CD1-CG 4.09Å; I605-E610 HydrophobicContact CG1-CG 3.56Å; I605-V613 HydrophobicContact CD1-CG2 4.08Å
606P91.1Very high88.3Confident90 Ų9089.3 Ų89.358%0.58444%0.444SS*.  trans-51.5142.1173-2833.5000112.6K608 L609 E610P606-K608 PolarHBondContact O-N 3.38Å; P606-K608 VanDerWaalsContact O-N 3.09Å; P606-L609 HydrophobicContact CG-CD1 4.43Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.29Å; P606-L609 PolarHBondContact O-N 2.84Å; P606-E610 PolarHBondContact O-N 3.31Å; P606-E610 VanDerWaalsContact O-N 3.09Å
607E88Confident87.9Confident157 Ų15789.2 Ų89.273%0.73444%0.435SS*.Hα-helixtrans-51.9-37.6-178.4-172.1-178.1-178.400113.2L609 E610 T611E607-L609 VanDerWaalsContact C-N 3.28Å; E607-L609 PolarHBondContact O-N 2.89Å; E607-E610 WeakPolarHBondContact O-CB 3.42Å; E607-E610 PolarHBondContact O-N 2.93Å; E607-E610 VanDerWaalsContact O-N 3.1Å; E607-T611 PolarHBondContact O-N 3.44Å; E607-T611 PolarHBondContact O-OG1 3.1Å
608K85.9Confident87.6Confident180 Ų18086.8 Ų86.878%0.78342%0.424SS*.Hα-helixtrans-61.6-32174.5-67.8-173.7179.6-1780113.8P606 T611 F612P606-K608 PolarHBondContact O-N 3.38Å; P606-K608 VanDerWaalsContact O-N 3.09Å; K608-T611 PolarHBondContact O-OG1 3.09Å; K608-F612 PolarHBondContact O-N 3.34Å
609L87.9Confident87.6Confident72 Ų7279.2 Ų79.238%0.37740%0.401SS..Hα-helixtrans-81.5-29.9174.5-65-175.4000111I605 P606 E607 F612 V613I605-L609 HydrophobicContact CB-CB 4.36Å; I605-L609 HydrophobicContact CD1-CB 3.77Å; I605-L609 HydrophobicContact CG1-CB 4.13Å; P606-L609 HydrophobicContact CG-CD1 4.43Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.29Å; P606-L609 PolarHBondContact O-N 2.84Å; E607-L609 VanDerWaalsContact C-N 3.28Å; E607-L609 PolarHBondContact O-N 2.89Å; L609-F612 PolarHBondContact O-N 3.29Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.49Å; L609-V613 PolarHBondContact O-N 3.49Å
610E89Confident87.4Confident41 Ų4178.9 Ų78.919%0.19240%0.399CS..Hα-helixtrans-62.1-44.8173.5-61.6-166.8-172.500112.2Y601 K602 G603 I605 P606 E607 F612 V613 S614Y601-E610 HydrophobicContact CD2-CB 4.37Å; Y601-E610 HydrophobicContact CD2-CG 4.05Å; Y601-E610 HydrophobicContact CE2-CB 3.93Å; Y601-E610 HydrophobicContact CE2-CG 4.1Å; K602-E610 WeakPolarHBondContact CA-OE1 3.4Å; G603-E610 PolarHBondContact N-OE1 2.95Å; I605-E610 HydrophobicContact CD1-CG 4.09Å; I605-E610 HydrophobicContact CG1-CG 3.56Å; P606-E610 PolarHBondContact O-N 3.31Å; P606-E610 VanDerWaalsContact O-N 3.09Å; E607-E610 WeakPolarHBondContact O-CB 3.42Å; E607-E610 PolarHBondContact O-N 2.93Å; E607-E610 VanDerWaalsContact O-N 3.1Å; E610-F612 VanDerWaalsContact C-N 3.34Å; E610-V613 PolarHBondContact O-N 3.3Å; E610-S614 PolarHBondContact O-N 2.97Å; E610-S614 PolarHBondContact O-OG 3.37Å
611T84.3Confident87.2Confident79 Ų7973.9 Ų73.949%0.48539%0.385SS..Hα-helixtrans-62.7-42.8174.6550000110.4E607 K608 V613 S614 L615E607-T611 PolarHBondContact O-N 3.44Å; E607-T611 PolarHBondContact O-OG1 3.1Å; K608-T611 PolarHBondContact O-OG1 3.09Å; T611-V613 PolarHBondContact O-N 3.05Å; T611-S614 WeakPolarHBondContact CA-OG 3.46Å; T611-S614 PolarHBondContact O-N 3.07Å; T611-S614 PolarHBondContact O-OG 3.27Å; T611-L615 WeakPolarHBondContact O-CG 3.18Å; T611-L615 PolarHBondContact O-N 2.97Å
612F86.1Confident86.9Confident27 Ų2777.6 Ų77.612%0.11841%0.405CS..Hα-helixtrans-60.3-44.9174.9-175.2-89.6000113.5Q587 A591 K608 L609 E610 S614 L615 H616Q587-F612 HydrophobicContact CB-CE1 3.71Å; Q587-F612 HydrophobicContact CB-CZ 3.76Å; Q587-F612 WeakPolarHBondContact O-CE1 3.4Å; A591-F612 HydrophobicContact CB-CD1 4.15Å; A591-F612 HydrophobicContact CB-CE1 3.95Å; K608-F612 PolarHBondContact O-N 3.34Å; L609-F612 PolarHBondContact O-N 3.29Å; E610-F612 VanDerWaalsContact C-N 3.34Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.5Å; F612-L615 HydrophobicContact CD2-CD1 4.29Å; F612-L615 WeakPolarHBondContact O-CB 3.43Å; F612-L615 PolarHBondContact O-N 3.46Å; F612-L615 VanDerWaalsContact O-N 3.17Å; F612-H616 AromaticContact CE1-CE1 3.51Å; F612-H616 AromaticContact CZ-CE1 3.61Å; F612-H616 PolarHBondContact O-ND1 3.39Å
613V85.5Confident86.7Confident5 Ų575.7 Ų75.73%0.0340%0.401CS..Hα-helixtrans-64.5-35.2176.3176.20000110.8A591 I594 V595 Y601 I605 L609 E610 T611 L615 H616A591-V613 HydrophobicContact CB-CB 4.46Å; A591-V613 HydrophobicContact CB-CG2 4.08Å; I594-V613 HydrophobicContact CB-CG1 4.26Å; I594-V613 HydrophobicContact CD1-CG2 4.08Å; I594-V613 HydrophobicContact CG2-CG1 3.8Å; V595-V613 HydrophobicContact CG2-CG1 4.03Å; Y601-V613 HydrophobicContact CD1-CG1 4Å; Y601-V613 HydrophobicContact CD2-CB 4.49Å; Y601-V613 HydrophobicContact CE1-CB 4.26Å; Y601-V613 HydrophobicContact CE1-CG1 3.42Å; Y601-V613 VanDerWaalsContact CE1-CG1 3.42Å; Y601-V613 HydrophobicContact CE2-CB 3.94Å; Y601-V613 HydrophobicContact CE2-CG1 4.02Å; Y601-V613 HydrophobicContact CG-CG1 4.48Å; I605-V613 HydrophobicContact CD1-CG2 4.08Å; L609-V613 VanDerWaalsContact O-CG2 3.29Å; L609-V613 WeakPolarHBondContact O-CG2 3.49Å; L609-V613 PolarHBondContact O-N 3.49Å; E610-V613 PolarHBondContact O-N 3.3Å; T611-V613 PolarHBondContact O-N 3.05Å; V613-L615 PolarHBondContact O-N 3.23Å; V613-H616 PolarHBondContact O-N 3.23Å
614S84.1Confident86.4Confident52 Ų5276 Ų7636%0.36438%0.377SS..Hα-helixtrans-64.6-23.4175.763.70000114.4E610 T611 F612 H616 R617E610-S614 PolarHBondContact O-N 2.97Å; E610-S614 PolarHBondContact O-OG 3.37Å; T611-S614 WeakPolarHBondContact CA-OG 3.46Å; T611-S614 PolarHBondContact O-N 3.07Å; T611-S614 PolarHBondContact O-OG 3.27Å; F612-S614 VanDerWaalsContact C-N 3.27Å; F612-S614 PolarHBondContact O-N 3.5Å; S614-H616 PolarHBondContact O-N 2.71Å; S614-R617 PolarHBondContact O-N 3.41Å
615L83.6Confident86Confident38 Ų3870.9 Ų70.920%0.19936%0.356CS..THydrogen-bonded Turntrans-66.2-14175.5-59.4171.7000113.6A556 T557 T611 F612 V613A556-L615 CarbonylContact C-O 3.51Å; A556-L615 VanDerWaalsContact CA-O 3.25Å; A556-L615 WeakPolarHBondContact CA-O 3.48Å; A556-L615 HydrophobicContact CB-CB 4.48Å; T557-L615 PolarHBondContact N-O 3.27Å; T557-L615 PolarHBondContact OG1-O 3.36Å; T611-L615 WeakPolarHBondContact O-CG 3.18Å; T611-L615 PolarHBondContact O-N 2.97Å; F612-L615 HydrophobicContact CD2-CD1 4.29Å; F612-L615 WeakPolarHBondContact O-CB 3.43Å; F612-L615 PolarHBondContact O-N 3.46Å; F612-L615 VanDerWaalsContact O-N 3.17Å; V613-L615 PolarHBondContact O-N 3.23Å
616H83.9Confident85.6Confident12 Ų1272.9 Ų72.96%0.05637%0.365CS..THydrogen-bonded Turntrans-111.316.6-173.8-6179.3000112.9D555 T557 C588 A591 V595 F612 V613 S614D555-H616 PolarHBondContact O-CD2 2.93Å; T557-H616 VanDerWaalsContact OG1-C 3.26Å; C588-H616 WeakPolarHBondContact CA-NE2 3.39Å; C588-H616 WeakPolarHBondContact CB-NE2 3.47Å; A591-H616 HydrophobicContact CB-CB 4.3Å; V595-H616 HydrophobicContact CG2-CB 4.39Å; F612-H616 AromaticContact CE1-CE1 3.51Å; F612-H616 AromaticContact CZ-CE1 3.61Å; F612-H616 PolarHBondContact O-ND1 3.39Å; V613-H616 PolarHBondContact O-N 3.23Å; S614-H616 PolarHBondContact O-N 2.71Å
617R77.5Confident85.1Confident122 Ų12271.4 Ų71.446%0.4635%0.345SS..  trans-85.30-171.1-80-177.9175.3-140.2-4.5115T557 K561 V595 Y601 S614T557-R617 WeakPolarHBondContact CB-O 3.44Å; T557-R617 PolarHBondContact OG1-N 3.48Å; T557-R617 VanDerWaalsContact OG1-N 3.17Å; T557-R617 PolarHBondContact OG1-O 3Å; K561-R617 WeakPolarHBondContact CE-OXT 3.25Å; V595-R617 HydrophobicContact CG1-CG 4.45Å; V595-R617 HydrophobicContact CG2-CG 3.89Å; Y601-R617 VanDerWaalsContact OH-CZ 3.27Å; Y601-R617 PolarHBondContact OH-NE 2.79Å; Y601-R617 PolarHBondContact OH-NH2 3.09Å; S614-R617 PolarHBondContact O-N 3.41Å

Retrieved 617 of 617 residues in 119.5 ms (Link to these results)