A0A087Y1L9_POEFO Loading...

Arachidonate 12-lipoxygenase

AlphaFold DB , UniProt , Accession A0A087Y1L9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 670 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
1M85.8Confident95.7Very high164 Ų16430 Ų3081%0.80816%0.159SC*.  0116.30-171.9176.8-178.400108.6T56 S57 K58M1-T56 VanDerWaalsContact CE-CB 3.49Å; M1-T56 HydrophobicContact CE-CG2 3.48Å; M1-T56 VanDerWaalsContact CE-CG2 3.48Å; M1-S57 CarbonylContact C-O 3.59Å; M1-S57 WeakPolarHBondContact CA-O 3.32Å; M1-K58 WeakPolarHBondContact CA-O 3.14Å; M1-K58 PolarHBondContact N-O 3.26Å
2E92.8Very high95.6Very high48 Ų4834.3 Ų34.322%0.22419%0.188CC..EExtended strand (participates in β ladder)trans-104.6141.9175.6-82.8-174.6176.900109.6Y4 T56 S57 P60 P90E2-Y4 HydrophobicContact CB-CD2 4.44Å; E2-Y4 HydrophobicContact CB-CE2 3.68Å; E2-Y4 PolarHBondContact OE2-OH 2.81Å; E2-T56 WeakPolarHBondContact O-CA 3.43Å; E2-S57 PolarHBondContact N-O 3.27Å; E2-S57 PolarHBondContact O-N 3.31Å; E2-P60 VanDerWaalsContact OE1-CB 3.31Å; E2-P60 WeakPolarHBondContact OE1-CB 3.33Å; E2-P60 WeakPolarHBondContact OE2-CA 3.16Å; E2-P90 HydrophobicContact CB-CG 3.87Å; E2-P90 HydrophobicContact CG-CB 4.5Å; E2-P90 HydrophobicContact CG-CG 3.71Å
3V94.6Very high95.3Very high58 Ų5832.9 Ų32.935%0.35218%0.182SC..EExtended strand (participates in β ladder)trans-119.1123.3178.3-174.30000107.5R54 T56V3-R54 HydrophobicContact CG1-CB 4.14Å; V3-R54 HydrophobicContact CG1-CG 4.28Å; V3-T56 HydrophobicContact CG1-CG2 4.37Å; V3-T56 HydrophobicContact CG2-CG2 4.16Å
4Y96.3Very high94.9Very high4 Ų435.6 Ų35.62%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-105.9130.2178.3-64-102.5000108.1E2 L26 R54 V55 L61 L64 V87 P89 P90E2-Y4 HydrophobicContact CB-CD2 4.44Å; E2-Y4 HydrophobicContact CB-CE2 3.68Å; E2-Y4 PolarHBondContact OE2-OH 2.81Å; Y4-L26 HydrophobicContact CD1-CD1 3.69Å; Y4-L26 HydrophobicContact CD2-CD1 3.85Å; Y4-L26 HydrophobicContact CE1-CD1 4.37Å; Y4-L26 HydrophobicContact CG-CD1 3.4Å; Y4-R54 WeakPolarHBondContact O-CA 3.31Å; Y4-V55 PolarHBondContact N-O 3.04Å; Y4-V55 PolarHBondContact O-N 2.55Å; Y4-L61 HydrophobicContact CE1-CD1 4.44Å; Y4-L61 HydrophobicContact CE2-CD1 3.83Å; Y4-L61 HydrophobicContact CE2-CG 4.27Å; Y4-L61 WeakPolarHBondContact OH-CB 3.33Å; Y4-L64 HydrophobicContact CD1-CD1 4.21Å; Y4-L64 HydrophobicContact CE1-CD1 4.15Å; Y4-L64 HydrophobicContact CE1-CD2 4.24Å; Y4-L64 HydrophobicContact CE1-CG 4.43Å; Y4-V87 HydrophobicContact CD1-CG1 3.92Å; Y4-P89 HydrophobicContact CD1-CB 4.3Å; Y4-P89 HydrophobicContact CE1-CB 4.07Å; Y4-P90 VanDerWaalsContact CE1-CD 3.46Å; Y4-P90 HydrophobicContact CE1-CG 4.46Å; Y4-P90 HydrophobicContact CE2-CG 4.48Å
5T96.4Very high94.8Very high34 Ų3443.7 Ų43.721%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-85.5120.5169.1-53.60000107.4Q52 E88T5-Q52 HydrophobicContact CG2-CG 3.53Å; T5-Q52 VanDerWaalsContact CG2-NE2 3.3Å; T5-E88 PolarHBondContact N-O 3.43Å; T5-E88 PolarHBondContact O-N 2.79Å
6V97.8Very high94.8Very high0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-115.4137.6179.3-550000109.2M24 L26 L38 Q52 Y53 V55 T86 V87V6-M24 HydrophobicContact CB-SD 3.94Å; V6-M24 HydrophobicContact CG1-SD 3.86Å; V6-M24 HydrophobicContact CG2-CE 4.38Å; V6-M24 HydrophobicContact CG2-SD 3.84Å; V6-L26 HydrophobicContact CG1-CD1 4.36Å; V6-L26 HydrophobicContact CG1-CD2 4.31Å; V6-L38 HydrophobicContact CG2-CD2 4.44Å; V6-Q52 CarbonylContact O-C 3.52Å; V6-Q52 WeakPolarHBondContact O-CA 3.26Å; V6-Y53 HydrophobicContact CG2-CD2 4.29Å; V6-Y53 HydrophobicContact CG2-CG 4.48Å; V6-Y53 PolarHBondContact N-O 2.84Å; V6-Y53 PolarHBondContact O-N 2.63Å; V6-V55 HydrophobicContact CG1-CB 4.21Å; V6-V55 HydrophobicContact CG1-CG2 3.89Å; V6-V55 HydrophobicContact CG2-CG2 3.76Å; V6-T86 CarbonylContact C-O 3.44Å; V6-T86 VanDerWaalsContact CA-O 3.3Å; V6-T86 WeakPolarHBondContact CA-O 3.46Å; V6-V87 HydrophobicContact CG1-CG1 4.14Å; V6-V87 HydrophobicContact CG1-CG2 4.11Å
7T98.1Very high94.9Very high21 Ų2139.6 Ų39.613%0.12921%0.205CC..EExtended strand (participates in β ladder)trans-120.5131.6175-52.90000108.8V50 D51 V85 T86T7-V50 HydrophobicContact CG2-CG1 3.32Å; T7-D51 CarbonylContact C-O 3.53Å; T7-D51 VanDerWaalsContact CA-O 3.3Å; T7-D51 WeakPolarHBondContact CA-O 2.96Å; T7-V85 CarbonylContact O-C 3.52Å; T7-V85 VanDerWaalsContact O-CA 3.29Å; T7-V85 WeakPolarHBondContact O-CA 3.35Å; T7-T86 WeakPolarHBondContact CB-OG1 3.32Å; T7-T86 PolarHBondContact N-O 2.73Å; T7-T86 PolarHBondContact O-N 2.8Å
8V98.5Very high94.9Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-118.8124.1-177.7-175.10000109M24 L38 F45 V50 D51 Y53 W80 V85V8-M24 HydrophobicContact CG2-CE 3.75Å; V8-L38 HydrophobicContact CG2-CD1 4Å; V8-F45 HydrophobicContact CB-CE1 4.1Å; V8-F45 HydrophobicContact CG1-CD1 4.27Å; V8-F45 HydrophobicContact CG1-CE1 3.94Å; V8-F45 HydrophobicContact CG2-CE1 4.45Å; V8-V50 WeakPolarHBondContact O-CA 3.44Å; V8-D51 PolarHBondContact N-O 3.05Å; V8-D51 PolarHBondContact O-N 3.3Å; V8-Y53 HydrophobicContact CB-CE2 4.28Å; V8-Y53 HydrophobicContact CG2-CD2 4.21Å; V8-Y53 HydrophobicContact CG2-CE2 4.09Å; V8-W80 HydrophobicContact CG1-CH2 3.67Å; V8-W80 HydrophobicContact CG1-CZ2 3.49Å; V8-W80 VanDerWaalsContact CG1-CZ2 3.49Å; V8-V85 HydrophobicContact CG1-CG2 4.43Å; V8-V85 HydrophobicContact CG2-CG1 4.48Å; V8-V85 HydrophobicContact CG2-CG2 4.28Å
9A98.4Very high94.9Very high0 Ų041.4 Ų41.40%022%0.216CC..EExtended strand (participates in β ladder)trans-102.2123.4177.600000111.2V50 R83 Y84A9-V50 HydrophobicContact CB-CG2 4.14Å; A9-R83 HydrophobicContact CB-CB 4.13Å; A9-R83 WeakPolarHBondContact O-CB 3.38Å; A9-R83 PolarHBondContact O-N 2.8Å; A9-Y84 HydrophobicContact CB-CD1 3.92Å; A9-Y84 HydrophobicContact CB-CD2 3.9Å; A9-Y84 HydrophobicContact CB-CE1 3.55Å; A9-Y84 HydrophobicContact CB-CE2 3.55Å; A9-Y84 HydrophobicContact CB-CG 4.07Å; A9-Y84 PolarHBondContact N-O 3.01Å
10T98.3Very high94.9Very high0 Ų039.7 Ų39.70%021%0.207CC..EExtended strand (participates in β ladder)trans-91.8148.4177.6-62.40000111.1S16 C46 A49 W80 R83T10-S16 WeakPolarHBondContact CG2-O 3.34Å; T10-C46 VanDerWaalsContact CB-O 3.32Å; T10-C46 WeakPolarHBondContact CB-O 3.46Å; T10-C46 VanDerWaalsContact CG2-O 3.3Å; T10-C46 WeakPolarHBondContact CG2-O 3.49Å; T10-A49 PolarHBondContact N-O 2.91Å; T10-W80 PolarHBondContact OG1-NE1 3.22Å; T10-W80 VanDerWaalsContact OG1-NE1 3.07Å; T10-R83 VanDerWaalsContact O-CD 3.3Å; T10-R83 WeakPolarHBondContact O-CD 3.38Å
11G95.9Very high94.9Very high1 Ų142.1 Ų42.11%0.0121%0.214CC..PPolyproline II helixtrans-56.3155.617900000113.9S16 G48 F81G11-S16 VanDerWaalsContact C-OG 3.27Å; G11-S16 WeakPolarHBondContact O-CB 3.44Å; G11-S16 PolarHBondContact O-OG 3.07Å; G11-G48 PolarHBondContact O-N 3.1Å; G11-F81 PolarHBondContact N-O 2.85Å
12T94.3Very high95.5Very high82 Ų8234.4 Ų34.450%0.50318%0.176SC..SBendtrans-98-4.3-179.951.40000113.8R47T12-R47 PolarHBondContact O-NE 3.27Å; T12-R47 PolarHBondContact O-NH2 2.95Å
13S91.4Very high95.8Very high16 Ų1633.3 Ų33.311%0.11217%0.171CC..SBendtrans-77.6163-180-41.30000112Y15 S16 R47 D171S13-Y15 PolarHBondContact O-N 2.93Å; S13-S16 WeakPolarHBondContact O-CB 3.43Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-OG 2.88Å; S13-R47 WeakPolarHBondContact O-CD 3.34Å; S13-R47 PolarHBondContact O-NE 3Å; S13-D171 WeakPolarHBondContact CB-OD2 3.33Å; S13-D171 PolarHBondContact OG-OD2 2.83Å
14E90.6Very high96Very high70 Ų7030.6 Ų30.633%0.32715%0.154SC..THydrogen-bonded Turntrans-66136.5178.3-162.1-178.8-176.400110.3S16 N172 E173E14-S16 PolarHBondContact O-N 3.47Å; E14-N172 HydrophobicContact CB-CB 4.29Å; E14-N172 PolarHBondContact O-ND2 2.88Å; E14-E173 HydrophobicContact CB-CG 4.09Å; E14-E173 WeakPolarHBondContact CB-OE1 3.43Å; E14-E173 WeakPolarHBondContact CB-OE2 3.43Å; E14-E173 PolarHBondContact N-OE1 3.21Å; E14-E173 PolarHBondContact N-OE2 2.91Å
15Y92.3Very high96.1Very high157 Ų15730.6 Ų30.662%0.61616%0.155SC*.THydrogen-bonded Turntrans63.921.1-174.2-48.7-75.4000115.1S13 W103 N172S13-Y15 PolarHBondContact O-N 2.93Å; Y15-W103 WeakPolarHBondContact O-CZ3 3.32Å; Y15-N172 HydrophobicContact CD2-CB 4.2Å; Y15-N172 WeakPolarHBondContact CD2-ND2 3.3Å
16S94.9Very high96.2Very high0 Ų029 Ų290%015%0.145CC..  trans-76.2-20.7174.963.90000114.6T10 G11 S13 E14 W80 F81T10-S16 WeakPolarHBondContact CG2-O 3.34Å; G11-S16 VanDerWaalsContact C-OG 3.27Å; G11-S16 WeakPolarHBondContact O-CB 3.44Å; G11-S16 PolarHBondContact O-OG 3.07Å; S13-S16 WeakPolarHBondContact O-CB 3.43Å; S13-S16 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-OG 2.88Å; E14-S16 PolarHBondContact O-N 3.47Å; S16-W80 VanDerWaalsContact O-CD1 3.24Å; S16-F81 PolarHBondContact O-N 3.31Å
17G96.3Very high96.2Very high18 Ų1829.1 Ų29.119%0.18615%0.145CC..  trans-87.9164.2-179.400000113F45G17-F45 CarbonylContact C-O 3.52Å; G17-F45 WeakPolarHBondContact CA-O 3.48Å
18T95.9Very high96.1Very high5 Ų528.1 Ų28.13%0.03114%0.139CC..  trans-141.6147.5-174.3-175.20000112.9N20 I22 F45 D78 W80T18-N20 WeakPolarHBondContact OG1-CB 3.41Å; T18-N20 PolarHBondContact OG1-N 3.29Å; T18-I22 HydrophobicContact CG2-CD1 4.17Å; T18-I22 HydrophobicContact CG2-CG1 4.25Å; T18-F45 HydrophobicContact CG2-CB 3.66Å; T18-F45 HydrophobicContact CG2-CD2 4.43Å; T18-F45 HydrophobicContact CG2-CG 4.22Å; T18-F45 PolarHBondContact N-O 2.77Å; T18-F45 VanDerWaalsContact N-O 3.09Å; T18-D78 WeakPolarHBondContact CA-OD2 3.41Å; T18-D78 VanDerWaalsContact CB-OD1 3.3Å; T18-D78 WeakPolarHBondContact CB-OD1 3.29Å; T18-D78 PolarHBondContact OG1-OD1 3.28Å; T18-W80 HydrophobicContact CG2-CB 3.71Å; T18-W80 VanDerWaalsContact CG2-CD1 3.45Å; T18-W80 HydrophobicContact CG2-CD2 4.08Å; T18-W80 HydrophobicContact CG2-CG 3.46Å; T18-W80 VanDerWaalsContact CG2-CG 3.46Å
19N94.4Very high95.9Very high108 Ų10833.5 Ų33.558%0.57816%0.164SC*.  trans-107.59.9166.4-57.6-78.1000112.3D78N19-D78 PolarHBondContact N-OD2 3.14Å
20N95Very high95.7Very high7 Ų741 Ų414%0.03720%0.197CC..SBendtrans-80.2162177-76.4-48.2000111.1T18 I22 K71 E72 K73 Y74 V76 D78T18-N20 WeakPolarHBondContact OG1-CB 3.41Å; T18-N20 PolarHBondContact OG1-N 3.29Å; N20-I22 PolarHBondContact O-N 3.23Å; N20-K71 HydrophobicContact CB-CD 4.25Å; N20-K71 HydrophobicContact CB-CG 3.94Å; N20-K71 PolarHBondContact ND2-NZ 2.99Å; N20-E72 WeakPolarHBondContact CB-O 3.39Å; N20-K73 VanDerWaalsContact OD1-CA 3.29Å; N20-K73 WeakPolarHBondContact OD1-CA 3.48Å; N20-Y74 PolarHBondContact OD1-N 3.27Å; N20-V76 PolarHBondContact ND2-O 2.78Å; N20-V76 PolarHBondContact OD1-O 3.24Å; N20-D78 PolarHBondContact ND2-N 3.04Å; N20-D78 PolarHBondContact ND2-O 3.46Å; N20-D78 PolarHBondContact ND2-OD1 2.87Å
21Y96.1Very high95.5Very high92 Ų9242.1 Ų42.136%0.36121%0.208SC..EExtended strand (participates in β ladder)trans-71.9128.1178.6-62.1-60.9000110.2F23 L37 K71 E72 Y74Y21-F23 HydrophobicContact CG-CE2 4.47Å; Y21-L37 HydrophobicContact CD1-CD1 3.88Å; Y21-L37 HydrophobicContact CD1-CD2 4.47Å; Y21-L37 HydrophobicContact CG-CD1 4.3Å; Y21-K71 CarbonylContact O-C 3.54Å; Y21-K71 WeakPolarHBondContact O-CA 3.38Å; Y21-E72 PolarHBondContact N-O 3.14Å; Y21-E72 PolarHBondContact O-N 2.92Å; Y21-Y74 HydrophobicContact CD2-CD2 4.41Å; Y21-Y74 HydrophobicContact CE1-CD2 4.05Å; Y21-Y74 HydrophobicContact CE1-CG 4.42Å; Y21-Y74 AromaticContact CE2-CD2 3.44Å; Y21-Y74 HydrophobicContact CE2-CD2 3.44Å; Y21-Y74 VanDerWaalsContact CE2-CD2 3.44Å; Y21-Y74 HydrophobicContact CE2-CE2 4.36Å; Y21-Y74 HydrophobicContact CE2-CG 4.02Å; Y21-Y74 AromaticContact CZ-CD2 3.23Å; Y21-Y74 AromaticContact CZ-CE2 3.78Å; Y21-Y74 AromaticContact CZ-CG 3.93Å; Y21-Y74 WeakPolarHBondContact OH-CD2 3.45Å; Y21-Y74 WeakPolarHBondContact OH-CE2 3.25Å
22I98.1Very high95.6Very high1 Ų146.2 Ų46.21%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-110.3120.3172.7-54-57.3000108.7T18 N20 L38 F45 L69 E70 K71 W80T18-I22 HydrophobicContact CG2-CD1 4.17Å; T18-I22 HydrophobicContact CG2-CG1 4.25Å; N20-I22 PolarHBondContact O-N 3.23Å; I22-L38 HydrophobicContact CG2-CD1 4.1Å; I22-L38 WeakPolarHBondContact O-CB 3.5Å; I22-L38 PolarHBondContact O-N 2.97Å; I22-F45 HydrophobicContact CB-CD2 4.4Å; I22-F45 HydrophobicContact CB-CE1 4.43Å; I22-F45 HydrophobicContact CB-CE2 3.71Å; I22-F45 HydrophobicContact CB-CZ 3.73Å; I22-F45 HydrophobicContact CG1-CD2 3.8Å; I22-F45 HydrophobicContact CG1-CE1 4.38Å; I22-F45 HydrophobicContact CG1-CE2 3.63Å; I22-F45 HydrophobicContact CG1-CG 4.26Å; I22-F45 HydrophobicContact CG1-CZ 3.94Å; I22-F45 HydrophobicContact CG2-CE1 4.46Å; I22-F45 HydrophobicContact CG2-CZ 4.09Å; I22-L69 HydrophobicContact CG2-CD2 4.39Å; I22-E70 WeakPolarHBondContact CA-O 3.39Å; I22-K71 HydrophobicContact CD1-CB 3.83Å; I22-K71 HydrophobicContact CD1-CD 4.19Å; I22-K71 HydrophobicContact CD1-CG 3.65Å; I22-W80 HydrophobicContact CD1-CD2 4.18Å; I22-W80 HydrophobicContact CD1-CE3 3.63Å; I22-W80 HydrophobicContact CD1-CZ3 3.91Å; I22-W80 HydrophobicContact CG1-CE3 4.32Å; I22-W80 HydrophobicContact CG1-CZ3 4.29Å; I22-W80 HydrophobicContact CG2-CH2 4.08Å; I22-W80 HydrophobicContact CG2-CZ3 3.92Å
23F98.3Very high95.8Very high26 Ų2642.9 Ų42.911%0.11421%0.207CC..EExtended strand (participates in β ladder)trans-106.5145.3172.7-58-95.7000110.4Y21 R35 T36 L37 L69 E70 E72Y21-F23 HydrophobicContact CG-CE2 4.47Å; F23-R35 HydrophobicContact CB-CG 4.03Å; F23-R35 HydrophobicContact CD1-CG 4.21Å; F23-R35 VanDerWaalsContact CD2-CZ 3.46Å; F23-R35 HydrophobicContact CG-CG 4.42Å; F23-R35 VanDerWaalsContact CG-NH1 3.34Å; F23-R35 VanDerWaalsContact CZ-NH1 3.29Å; F23-T36 CarbonylContact C-O 3.48Å; F23-T36 VanDerWaalsContact CA-O 3.24Å; F23-T36 WeakPolarHBondContact CA-O 3.33Å; F23-L37 HydrophobicContact CD1-CB 3.85Å; F23-L37 HydrophobicContact CD1-CD1 4.1Å; F23-L37 HydrophobicContact CE1-CB 3.68Å; F23-L37 HydrophobicContact CE1-CD1 3.76Å; F23-L37 HydrophobicContact CE1-CG 4.23Å; F23-L37 HydrophobicContact CE2-CD1 4.25Å; F23-L37 HydrophobicContact CG-CD1 4.49Å; F23-L37 HydrophobicContact CZ-CD1 3.84Å; F23-L69 WeakPolarHBondContact O-CA 3.37Å; F23-E70 HydrophobicContact CB-CB 4.27Å; F23-E70 PolarHBondContact N-O 2.94Å; F23-E70 PolarHBondContact O-N 2.86Å; F23-E72 HydrophobicContact CD2-CG 4.37Å; F23-E72 HydrophobicContact CE2-CB 4.16Å; F23-E72 HydrophobicContact CE2-CG 4.13Å; F23-E72 VanDerWaalsContact CE2-OE2 3.3Å; F23-E72 WeakPolarHBondContact CE2-OE2 3.43Å
24M98.6Very high96Very high0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-124.5138.4176.3-172.6177.2-76.800111.5V6 V8 L26 T36 L38 V55 V67 R68 L69 V85V6-M24 HydrophobicContact CB-SD 3.94Å; V6-M24 HydrophobicContact CG1-SD 3.86Å; V6-M24 HydrophobicContact CG2-CE 4.38Å; V6-M24 HydrophobicContact CG2-SD 3.84Å; V8-M24 HydrophobicContact CG2-CE 3.75Å; M24-L26 HydrophobicContact CG-CD2 4.36Å; M24-L26 HydrophobicContact SD-CD2 4.03Å; M24-T36 PolarHBondContact N-O 2.96Å; M24-T36 PolarHBondContact O-N 2.61Å; M24-L38 HydrophobicContact CB-CD1 4.03Å; M24-L38 HydrophobicContact CB-CD2 3.92Å; M24-L38 HydrophobicContact CB-CG 4.05Å; M24-L38 HydrophobicContact CE-CD1 3.87Å; M24-V55 HydrophobicContact CB-CG2 4.43Å; M24-V55 HydrophobicContact CG-CG2 4.43Å; M24-V55 HydrophobicContact SD-CG2 4.01Å; M24-V67 HydrophobicContact CE-CG1 3.98Å; M24-V67 HydrophobicContact CG-CG1 3.98Å; M24-V67 HydrophobicContact SD-CG1 4.13Å; M24-R68 WeakPolarHBondContact CA-O 3.44Å; M24-L69 HydrophobicContact CE-CD2 3.56Å; M24-L69 HydrophobicContact CG-CD2 4.43Å; M24-V85 HydrophobicContact CE-CG1 3.61Å; M24-V85 HydrophobicContact CE-CG2 4.06Å; M24-V85 HydrophobicContact SD-CG1 4.43Å
25T98.6Very high96.3Very high5 Ų547.6 Ų47.63%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-127.6126.1166-56.90000109.2I27 E32 R68T25-I27 HydrophobicContact CG2-CG1 4.4Å; T25-E32 HydrophobicContact CG2-CB 3.89Å; T25-R68 PolarHBondContact N-O 3.3Å; T25-R68 PolarHBondContact O-N 2.89Å
26L98.3Very high96.6Very high0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-86.6128.4171.7-56.7179.9000109.1Y4 V6 M24 E32 S33 V55 L61 L64 V67 V87Y4-L26 HydrophobicContact CD1-CD1 3.69Å; Y4-L26 HydrophobicContact CD2-CD1 3.85Å; Y4-L26 HydrophobicContact CE1-CD1 4.37Å; Y4-L26 HydrophobicContact CG-CD1 3.4Å; V6-L26 HydrophobicContact CG1-CD1 4.36Å; V6-L26 HydrophobicContact CG1-CD2 4.31Å; M24-L26 HydrophobicContact CG-CD2 4.36Å; M24-L26 HydrophobicContact SD-CD2 4.03Å; L26-E32 CarbonylContact O-C 3.53Å; L26-E32 WeakPolarHBondContact O-CA 3.39Å; L26-S33 PolarHBondContact N-OG 3.15Å; L26-S33 PolarHBondContact O-N 3.07Å; L26-V55 HydrophobicContact CD1-CB 4.1Å; L26-V55 HydrophobicContact CD1-CG1 3.91Å; L26-V55 HydrophobicContact CG-CB 4.41Å; L26-V55 HydrophobicContact CG-CG1 3.89Å; L26-L61 HydrophobicContact CB-CD1 3.77Å; L26-L64 HydrophobicContact CB-CD2 4.12Å; L26-L64 HydrophobicContact CD1-CD1 4.45Å; L26-V67 HydrophobicContact CD2-CG2 3.85Å; L26-V87 HydrophobicContact CD1-CG1 4.15Å; L26-V87 HydrophobicContact CD2-CG1 4.45Å; L26-V87 HydrophobicContact CD2-CG2 4.02Å
27I97.7Very high96.7Very high2 Ų244.5 Ų44.51%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-114.6113.1-176.7-55.2172.7000107.9T25 E32 L65 L66 R68 K127T25-I27 HydrophobicContact CG2-CG1 4.4Å; I27-E32 HydrophobicContact CB-CG 4.43Å; I27-E32 HydrophobicContact CG1-CG 4.06Å; I27-E32 HydrophobicContact CG2-CG 4.17Å; I27-L65 PolarHBondContact O-N 3.48Å; I27-L66 HydrophobicContact CB-CB 4.04Å; I27-L66 HydrophobicContact CD1-CB 4.02Å; I27-L66 HydrophobicContact CD1-CD1 4.29Å; I27-L66 HydrophobicContact CG1-CB 4.45Å; I27-L66 PolarHBondContact N-O 2.75Å; I27-L66 PolarHBondContact O-N 2.74Å; I27-L66 VanDerWaalsContact O-N 3.13Å; I27-R68 HydrophobicContact CD1-CB 4.13Å; I27-R68 VanDerWaalsContact CD1-NH2 3.29Å; I27-K127 HydrophobicContact CG2-CD 4.12Å
28G95.7Very high96.8Very high0 Ų043.9 Ų43.90%021%0.21CC..EExtended strand (participates in β ladder)trans-109.7179.8176.500000113.6K30 G31 L61 S63 K127G28-K30 VanDerWaalsContact C-N 3.26Å; G28-K30 PolarHBondContact O-N 3.48Å; G28-G31 PolarHBondContact N-O 3.35Å; G28-L61 CarbonylContact C-O 3.45Å; G28-L61 WeakPolarHBondContact CA-O 3.22Å; G28-S63 VanDerWaalsContact CA-O 3.25Å; G28-S63 WeakPolarHBondContact CA-O 3.31Å; G28-K127 PolarHBondContact O-NZ 3.35Å
29E94.6Very high96.7Very high114 Ų11449.1 Ų49.153%0.53324%0.238SC..SBendtrans-58.2-38.7174.5-69.2174.3142.900112.4L61 S63 L65E29-L61 PolarHBondContact N-O 3.2Å; E29-L61 VanDerWaalsContact N-O 3.15Å; E29-S63 PolarHBondContact N-O 2.94Å; E29-S63 WeakPolarHBondContact OE2-CB 3.5Å; E29-S63 PolarHBondContact OE2-N 2.65Å; E29-S63 PolarHBondContact OE2-OG 3.26Å; E29-L65 HydrophobicContact CG-CD1 4.2Å; E29-L65 HydrophobicContact CG-CD2 3.97Å; E29-L65 HydrophobicContact CG-CG 4.2Å
30K94.5Very high96.7Very high157 Ų15746.6 Ų46.668%0.68322%0.224SC*.SBendtrans-97.9-8.6-171.5-60.6179.5-177.5174.30114.2G28 P60 L61G28-K30 VanDerWaalsContact C-N 3.26Å; G28-K30 PolarHBondContact O-N 3.48Å; K30-P60 WeakPolarHBondContact CB-O 3.42Å; K30-L61 WeakPolarHBondContact CB-O 3.26Å; K30-L61 PolarHBondContact N-O 3.47Å
31G94.9Very high96.4Very high23 Ų2353 Ų5324%0.23727%0.266CS..  trans169.5-168.6-177.300000114.2G28G28-G31 PolarHBondContact N-O 3.35Å
32E97.4Very high96Very high88 Ų8851.6 Ų51.641%0.41128%0.28SS..BIsolated β-bridgetrans-120.2147.3170.5-60.1-167.5175.100108.8T25 L26 I27 R68T25-E32 HydrophobicContact CG2-CB 3.89Å; L26-E32 CarbonylContact O-C 3.53Å; L26-E32 WeakPolarHBondContact O-CA 3.39Å; I27-E32 HydrophobicContact CB-CG 4.43Å; I27-E32 HydrophobicContact CG1-CG 4.06Å; I27-E32 HydrophobicContact CG2-CG 4.17Å; E32-R68 IonicContact OE1-CZ 3.32Å; E32-R68 IonicContact OE1-NH1 3.44Å; E32-R68 IonicContact OE1-NH2 3.83Å; E32-R68 PolarHBondContact OE1-NH2 2.64Å; E32-R68 IonicContact OE2-CZ 3.62Å; E32-R68 IonicContact OE2-NH1 3.6Å; E32-R68 PolarHBondContact OE2-NH1 3.4Å; E32-R68 IonicContact OE2-NH2 2.88Å
33S97.8Very high95.6Very high11 Ų1157.7 Ų57.78%0.07731%0.312CS..  trans-67.6173.7170.174.90000111.1L26L26-S33 PolarHBondContact N-OG 3.15Å; L26-S33 PolarHBondContact O-N 3.07Å
34E96Very high95.3Very high83 Ų8357.4 Ų57.439%0.38831%0.312SS..  trans-64.1146.4165-62.1-178.6154.500110T36 T56 K58E34-T36 PolarHBondContact O-N 3.41Å; E34-T36 VanDerWaalsContact O-N 3.12Å; E34-T36 PolarHBondContact O-OG1 2.8Å; E34-T36 VanDerWaalsContact O-OG1 3.07Å; E34-T56 PolarHBondContact N-O 2.82Å; E34-K58 WeakPolarHBondContact OE1-CE 3.35Å; E34-K58 IonicContact OE1-NZ 2.96Å
35R97.4Very high95.2Very high102 Ų10257.7 Ų57.739%0.38531%0.313SS..  trans-67.5107.5168.9-177.2-178.7-172.3-103.27.4108.4F23 E70 E72F23-R35 HydrophobicContact CB-CG 4.03Å; F23-R35 HydrophobicContact CD1-CG 4.21Å; F23-R35 VanDerWaalsContact CD2-CZ 3.46Å; F23-R35 HydrophobicContact CG-CG 4.42Å; F23-R35 VanDerWaalsContact CG-NH1 3.34Å; F23-R35 VanDerWaalsContact CZ-NH1 3.29Å; R35-E70 IonicContact CZ-OE2 2.9Å; R35-E70 IonicContact NE-OE2 3.28Å; R35-E70 PolarHBondContact NE-OE2 2.91Å; R35-E70 IonicContact NH2-OE2 2.91Å; R35-E72 IonicContact CZ-OE1 3.98Å; R35-E72 IonicContact NH1-OE1 3.21Å; R35-E72 IonicContact NH2-OE1 3.9Å; R35-E72 PolarHBondContact NH2-OE1 2.91Å; R35-E72 IonicContact NH2-OE2 3.81Å
36T98.1Very high95.1Very high25 Ų2559.9 Ų59.915%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-106.5124.9-170.7-56.20000109.7F23 M24 E34 L38 V55F23-T36 CarbonylContact C-O 3.48Å; F23-T36 VanDerWaalsContact CA-O 3.24Å; F23-T36 WeakPolarHBondContact CA-O 3.33Å; M24-T36 PolarHBondContact N-O 2.96Å; M24-T36 PolarHBondContact O-N 2.61Å; E34-T36 PolarHBondContact O-N 3.41Å; E34-T36 VanDerWaalsContact O-N 3.12Å; E34-T36 PolarHBondContact O-OG1 2.8Å; E34-T36 VanDerWaalsContact O-OG1 3.07Å; T36-L38 HydrophobicContact CG2-CD2 4.49Å; T36-L38 PolarHBondContact O-N 3.48Å; T36-V55 HydrophobicContact CG2-CG2 4.32Å
37L97.7Very high95Very high67 Ų6766.2 Ų66.235%0.35135%0.352SS..EExtended strand (participates in β ladder)trans-69.6124.9166.917863.4000108.1Y21 F23 D39Y21-L37 HydrophobicContact CD1-CD1 3.88Å; Y21-L37 HydrophobicContact CD1-CD2 4.47Å; Y21-L37 HydrophobicContact CG-CD1 4.3Å; F23-L37 HydrophobicContact CD1-CB 3.85Å; F23-L37 HydrophobicContact CD1-CD1 4.1Å; F23-L37 HydrophobicContact CE1-CB 3.68Å; F23-L37 HydrophobicContact CE1-CD1 3.76Å; F23-L37 HydrophobicContact CE1-CG 4.23Å; F23-L37 HydrophobicContact CE2-CD1 4.25Å; F23-L37 HydrophobicContact CG-CD1 4.49Å; F23-L37 HydrophobicContact CZ-CD1 3.84Å; L37-D39 HydrophobicContact CD2-CB 4.2Å; L37-D39 HydrophobicContact CG-CB 4.06Å; L37-D39 PolarHBondContact O-N 3.11Å
38L97.6Very high94.9Very high6 Ų667.8 Ų67.83%0.03137%0.368CS..  trans-86106174-57.6-170.1000108.3V6 V8 I22 M24 T36 F45 Y53 V55V6-L38 HydrophobicContact CG2-CD2 4.44Å; V8-L38 HydrophobicContact CG2-CD1 4Å; I22-L38 HydrophobicContact CG2-CD1 4.1Å; I22-L38 WeakPolarHBondContact O-CB 3.5Å; I22-L38 PolarHBondContact O-N 2.97Å; M24-L38 HydrophobicContact CB-CD1 4.03Å; M24-L38 HydrophobicContact CB-CD2 3.92Å; M24-L38 HydrophobicContact CB-CG 4.05Å; M24-L38 HydrophobicContact CE-CD1 3.87Å; T36-L38 HydrophobicContact CG2-CD2 4.49Å; T36-L38 PolarHBondContact O-N 3.48Å; L38-F45 HydrophobicContact CB-CE2 4.25Å; L38-F45 HydrophobicContact CB-CZ 3.65Å; L38-F45 HydrophobicContact CD1-CE1 4.36Å; L38-F45 HydrophobicContact CD1-CZ 3.93Å; L38-F45 HydrophobicContact CG-CZ 4.46Å; L38-Y53 HydrophobicContact CB-CD1 3.78Å; L38-Y53 HydrophobicContact CB-CD2 4.31Å; L38-Y53 HydrophobicContact CB-CE1 3.77Å; L38-Y53 HydrophobicContact CB-CE2 4.32Å; L38-Y53 HydrophobicContact CB-CG 4.05Å; L38-Y53 HydrophobicContact CD1-CD2 4.07Å; L38-Y53 HydrophobicContact CD1-CE2 4.22Å; L38-Y53 HydrophobicContact CD1-CG 4.44Å; L38-Y53 HydrophobicContact CD2-CD1 4.35Å; L38-Y53 HydrophobicContact CD2-CD2 4.31Å; L38-Y53 HydrophobicContact CD2-CG 3.92Å; L38-Y53 HydrophobicContact CG-CD2 4.48Å; L38-Y53 HydrophobicContact CG-CG 4.36Å; L38-V55 HydrophobicContact CD2-CG2 4.14Å
39D95.1Very high95Very high115 Ų11568.7 Ų68.762%0.61538%0.376SS*.  trans-151118.6-175.4-175.737.4000109.7L37 D44L37-D39 HydrophobicContact CD2-CB 4.2Å; L37-D39 HydrophobicContact CG-CB 4.06Å; L37-D39 PolarHBondContact O-N 3.11Å; D39-D44 WeakPolarHBondContact CA-OD2 3.2Å
40N93.1Very high95.1Very high54 Ų5467 Ų6729%0.28937%0.374SS..  trans-111.3160.4171.7-68.8-49.3000110.1G42 D44 Q52 Y53N40-G42 PolarHBondContact O-N 2.94Å; N40-D44 WeakPolarHBondContact CB-OD1 3.37Å; N40-D44 PolarHBondContact N-OD2 3.33Å; N40-D44 PolarHBondContact ND2-OD1 3.34Å; N40-Q52 PolarHBondContact ND2-O 3.45Å; N40-Y53 WeakPolarHBondContact ND2-CD1 3.47Å; N40-Y53 WeakPolarHBondContact ND2-CE1 3.3Å
41P88.8Confident95.3Very high141 Ų14160.8 Ų60.892%0.91635%0.348SS*.SBendtrans-61.9107.4170.8-20.132.5000111.5
42G88.8Confident95.4Very high63 Ų6365.1 Ų65.165%0.64936%0.362SS*.SBendtrans135.4-151176.600000112.8N40N40-G42 PolarHBondContact O-N 2.94Å
43L87.9Confident95.4Very high129 Ų12961.3 Ų61.368%0.67534%0.344SS*.  trans-100.2114.2171.8-64.6174.4000108.3
44D93.4Very high95.4Very high21 Ų2169.9 Ų69.911%0.11237%0.374CS..  trans-89.9163.9171.2-75.6-40.3000111.3D39 N40 C46 Y53D39-D44 WeakPolarHBondContact CA-OD2 3.2Å; N40-D44 WeakPolarHBondContact CB-OD1 3.37Å; N40-D44 PolarHBondContact N-OD2 3.33Å; N40-D44 PolarHBondContact ND2-OD1 3.34Å; D44-C46 PolarHBondContact O-N 3.13Å; D44-Y53 VanDerWaalsContact CB-OH 3.25Å; D44-Y53 WeakPolarHBondContact CB-OH 3.47Å; D44-Y53 PolarHBondContact OD1-OH 2.79Å
45F96.3Very high95.4Very high6 Ų665.9 Ų65.93%0.02636%0.356CS..SBendtrans5531.3171.6-47.1-68.2000114.1V8 G17 T18 I22 L38 D51 Y53 W80V8-F45 HydrophobicContact CB-CE1 4.1Å; V8-F45 HydrophobicContact CG1-CD1 4.27Å; V8-F45 HydrophobicContact CG1-CE1 3.94Å; V8-F45 HydrophobicContact CG2-CE1 4.45Å; G17-F45 CarbonylContact C-O 3.52Å; G17-F45 WeakPolarHBondContact CA-O 3.48Å; T18-F45 HydrophobicContact CG2-CB 3.66Å; T18-F45 HydrophobicContact CG2-CD2 4.43Å; T18-F45 HydrophobicContact CG2-CG 4.22Å; T18-F45 PolarHBondContact N-O 2.77Å; T18-F45 VanDerWaalsContact N-O 3.09Å; I22-F45 HydrophobicContact CB-CD2 4.4Å; I22-F45 HydrophobicContact CB-CE1 4.43Å; I22-F45 HydrophobicContact CB-CE2 3.71Å; I22-F45 HydrophobicContact CB-CZ 3.73Å; I22-F45 HydrophobicContact CG1-CD2 3.8Å; I22-F45 HydrophobicContact CG1-CE1 4.38Å; I22-F45 HydrophobicContact CG1-CE2 3.63Å; I22-F45 HydrophobicContact CG1-CG 4.26Å; I22-F45 HydrophobicContact CG1-CZ 3.94Å; I22-F45 HydrophobicContact CG2-CE1 4.46Å; I22-F45 HydrophobicContact CG2-CZ 4.09Å; L38-F45 HydrophobicContact CB-CE2 4.25Å; L38-F45 HydrophobicContact CB-CZ 3.65Å; L38-F45 HydrophobicContact CD1-CE1 4.36Å; L38-F45 HydrophobicContact CD1-CZ 3.93Å; L38-F45 HydrophobicContact CG-CZ 4.46Å; F45-D51 WeakPolarHBondContact CA-OD2 3.32Å; F45-D51 PolarHBondContact N-OD2 3.4Å; F45-Y53 AromaticContact CE1-CE2 3.9Å; F45-Y53 HydrophobicContact CE1-CE2 3.9Å; F45-Y53 AromaticContact CE1-CZ 3.84Å; F45-Y53 VanDerWaalsContact CE1-OH 3.27Å; F45-Y53 WeakPolarHBondContact CE1-OH 3.4Å; F45-Y53 WeakPolarHBondContact CE2-OH 3.23Å; F45-Y53 HydrophobicContact CZ-CE1 4.27Å; F45-Y53 AromaticContact CZ-CE2 3.92Å; F45-Y53 HydrophobicContact CZ-CE2 3.92Å; F45-Y53 AromaticContact CZ-CZ 3.51Å; F45-Y53 WeakPolarHBondContact CZ-OH 3.26Å; F45-W80 HydrophobicContact CD1-CH2 4.43Å; F45-W80 AromaticContact CD1-CZ2 3.67Å; F45-W80 HydrophobicContact CD1-CZ2 3.67Å; F45-W80 HydrophobicContact CE1-CH2 4.44Å; F45-W80 HydrophobicContact CE1-CZ2 4.08Å; F45-W80 HydrophobicContact CG-CZ2 4.48Å
46C96.5Very high95.4Very high51 Ų5162.4 Ų62.435%0.34535%0.346SS..  trans-64.9155.4172.5-73.40000110.4T10 D44 G48 A49T10-C46 VanDerWaalsContact CB-O 3.32Å; T10-C46 WeakPolarHBondContact CB-O 3.46Å; T10-C46 VanDerWaalsContact CG2-O 3.3Å; T10-C46 WeakPolarHBondContact CG2-O 3.49Å; D44-C46 PolarHBondContact O-N 3.13Å; C46-G48 PolarHBondContact O-N 3.45Å; C46-G48 VanDerWaalsContact O-N 3.12Å; C46-A49 HydrophobicContact CB-CB 3.97Å; C46-A49 WeakPolarHBondContact O-CB 3.46Å; C46-A49 PolarHBondContact O-N 3.01Å
47R95.8Very high95.3Very high132 Ų13261.5 Ų61.550%0.49834%0.34SS..THydrogen-bonded Turntrans-49.4122.6172.4172.5-177174.8164.213.8110.2T12 S13 A49 E173T12-R47 PolarHBondContact O-NE 3.27Å; T12-R47 PolarHBondContact O-NH2 2.95Å; S13-R47 WeakPolarHBondContact O-CD 3.34Å; S13-R47 PolarHBondContact O-NE 3Å; R47-A49 PolarHBondContact O-N 3.38Å; R47-E173 IonicContact CZ-OE1 2.84Å; R47-E173 IonicContact NH1-OE1 3.94Å; R47-E173 IonicContact NH2-OE1 3.88Å; R47-E173 PolarHBondContact NH2-OE1 3.28Å
48G96.3Very high95.1Very high35 Ų3565.1 Ų65.136%0.36135%0.353SS..THydrogen-bonded Turntrans73.83179.500000115.5G11 C46G11-G48 PolarHBondContact O-N 3.1Å; C46-G48 PolarHBondContact O-N 3.45Å; C46-G48 VanDerWaalsContact O-N 3.12Å
49A97.1Very high94.9Very high20 Ų2071.4 Ų71.417%0.16538%0.383CS..  trans-71.4153179.800000112.2T10 C46 R47T10-A49 PolarHBondContact N-O 2.91Å; C46-A49 HydrophobicContact CB-CB 3.97Å; C46-A49 WeakPolarHBondContact O-CB 3.46Å; C46-A49 PolarHBondContact O-N 3.01Å; R47-A49 PolarHBondContact O-N 3.38Å
50V97.6Very high94.8Very high79 Ų7968.9 Ų68.948%0.47937%0.372SS..EExtended strand (participates in β ladder)trans-130.2100173.5-179.60000106.4T7 V8 A9T7-V50 HydrophobicContact CG2-CG1 3.32Å; V8-V50 WeakPolarHBondContact O-CA 3.44Å; A9-V50 HydrophobicContact CB-CG2 4.14Å
51D97.9Very high94.9Very high26 Ų2666.4 Ų66.414%0.13936%0.359CS..EExtended strand (participates in β ladder)trans-108.3139.8-168.6-53.8-50.8000110.3T7 V8 F45 Y53T7-D51 CarbonylContact C-O 3.53Å; T7-D51 VanDerWaalsContact CA-O 3.3Å; T7-D51 WeakPolarHBondContact CA-O 2.96Å; V8-D51 PolarHBondContact N-O 3.05Å; V8-D51 PolarHBondContact O-N 3.3Å; F45-D51 WeakPolarHBondContact CA-OD2 3.32Å; F45-D51 PolarHBondContact N-OD2 3.4Å; D51-Y53 HydrophobicContact CB-CE2 3.54Å; D51-Y53 WeakPolarHBondContact CB-OH 3.47Å
52Q97.5Very high95.1Very high113 Ų11360.9 Ų60.953%0.52833%0.328SS..EExtended strand (participates in β ladder)trans-109.9138.7-178.2-174.4176.286.300110.8T5 V6 N40T5-Q52 HydrophobicContact CG2-CG 3.53Å; T5-Q52 VanDerWaalsContact CG2-NE2 3.3Å; V6-Q52 CarbonylContact O-C 3.52Å; V6-Q52 WeakPolarHBondContact O-CA 3.26Å; N40-Q52 PolarHBondContact ND2-O 3.45Å
53Y97.8Very high95.3Very high9 Ų961 Ų614%0.03532%0.319CS..EExtended strand (participates in β ladder)trans-138171-178.7-48.7-92000111.3V6 V8 L38 N40 D44 F45 D51V6-Y53 HydrophobicContact CG2-CD2 4.29Å; V6-Y53 HydrophobicContact CG2-CG 4.48Å; V6-Y53 PolarHBondContact N-O 2.84Å; V6-Y53 PolarHBondContact O-N 2.63Å; V8-Y53 HydrophobicContact CB-CE2 4.28Å; V8-Y53 HydrophobicContact CG2-CD2 4.21Å; V8-Y53 HydrophobicContact CG2-CE2 4.09Å; L38-Y53 HydrophobicContact CB-CD1 3.78Å; L38-Y53 HydrophobicContact CB-CD2 4.31Å; L38-Y53 HydrophobicContact CB-CE1 3.77Å; L38-Y53 HydrophobicContact CB-CE2 4.32Å; L38-Y53 HydrophobicContact CB-CG 4.05Å; L38-Y53 HydrophobicContact CD1-CD2 4.07Å; L38-Y53 HydrophobicContact CD1-CE2 4.22Å; L38-Y53 HydrophobicContact CD1-CG 4.44Å; L38-Y53 HydrophobicContact CD2-CD1 4.35Å; L38-Y53 HydrophobicContact CD2-CD2 4.31Å; L38-Y53 HydrophobicContact CD2-CG 3.92Å; L38-Y53 HydrophobicContact CG-CD2 4.48Å; L38-Y53 HydrophobicContact CG-CG 4.36Å; N40-Y53 WeakPolarHBondContact ND2-CD1 3.47Å; N40-Y53 WeakPolarHBondContact ND2-CE1 3.3Å; D44-Y53 VanDerWaalsContact CB-OH 3.25Å; D44-Y53 WeakPolarHBondContact CB-OH 3.47Å; D44-Y53 PolarHBondContact OD1-OH 2.79Å; F45-Y53 AromaticContact CE1-CE2 3.9Å; F45-Y53 HydrophobicContact CE1-CE2 3.9Å; F45-Y53 AromaticContact CE1-CZ 3.84Å; F45-Y53 VanDerWaalsContact CE1-OH 3.27Å; F45-Y53 WeakPolarHBondContact CE1-OH 3.4Å; F45-Y53 WeakPolarHBondContact CE2-OH 3.23Å; F45-Y53 HydrophobicContact CZ-CE1 4.27Å; F45-Y53 AromaticContact CZ-CE2 3.92Å; F45-Y53 HydrophobicContact CZ-CE2 3.92Å; F45-Y53 AromaticContact CZ-CZ 3.51Å; F45-Y53 WeakPolarHBondContact CZ-OH 3.26Å; D51-Y53 HydrophobicContact CB-CE2 3.54Å; D51-Y53 WeakPolarHBondContact CB-OH 3.47Å
54R96.4Very high95.6Very high190 Ų19055.7 Ų55.772%0.71729%0.291SS*.EExtended strand (participates in β ladder)trans-115.4124.2173.1-65.8-177.5178.1-141.7-2.2109.8V3 Y4V3-R54 HydrophobicContact CG1-CB 4.14Å; V3-R54 HydrophobicContact CG1-CG 4.28Å; Y4-R54 WeakPolarHBondContact O-CA 3.31Å
55V97.1Very high95.7Very high0 Ų055.6 Ų55.60%029%0.29CS..EExtended strand (participates in β ladder)trans-112.1134.5173177.20000108.7Y4 V6 M24 L26 T36 L38Y4-V55 PolarHBondContact N-O 3.04Å; Y4-V55 PolarHBondContact O-N 2.55Å; V6-V55 HydrophobicContact CG1-CB 4.21Å; V6-V55 HydrophobicContact CG1-CG2 3.89Å; V6-V55 HydrophobicContact CG2-CG2 3.76Å; M24-V55 HydrophobicContact CB-CG2 4.43Å; M24-V55 HydrophobicContact CG-CG2 4.43Å; M24-V55 HydrophobicContact SD-CG2 4.01Å; L26-V55 HydrophobicContact CD1-CB 4.1Å; L26-V55 HydrophobicContact CD1-CG1 3.91Å; L26-V55 HydrophobicContact CG-CB 4.41Å; L26-V55 HydrophobicContact CG-CG1 3.89Å; T36-V55 HydrophobicContact CG2-CG2 4.32Å; L38-V55 HydrophobicContact CD2-CG2 4.14Å
56T95.9Very high95.8Very high29 Ų2955.5 Ų55.518%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-116.9143-172.958.30000112.2M1 E2 V3 E34M1-T56 VanDerWaalsContact CE-CB 3.49Å; M1-T56 HydrophobicContact CE-CG2 3.48Å; M1-T56 VanDerWaalsContact CE-CG2 3.48Å; E2-T56 WeakPolarHBondContact O-CA 3.43Å; V3-T56 HydrophobicContact CG1-CG2 4.37Å; V3-T56 HydrophobicContact CG2-CG2 4.16Å; E34-T56 PolarHBondContact N-O 2.82Å
57S96.3Very high95.9Very high5 Ų553 Ų534%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-125.3140171.7-176.40000110.3M1 E2 E59 L61M1-S57 CarbonylContact C-O 3.59Å; M1-S57 WeakPolarHBondContact CA-O 3.32Å; E2-S57 PolarHBondContact N-O 3.27Å; E2-S57 PolarHBondContact O-N 3.31Å; S57-E59 WeakPolarHBondContact CB-O 3.41Å; S57-E59 PolarHBondContact OG-N 3.27Å; S57-E59 PolarHBondContact OG-O 2.92Å; S57-L61 VanDerWaalsContact OG-CD2 3.29Å; S57-L61 WeakPolarHBondContact OG-CD2 3.18Å
58K94.2Very high96Very high143 Ų14348.1 Ų48.162%0.62226%0.255SS*.SBendtrans-65.7-44.1175-67.7-175.1-174.1172.90111M1 E34M1-K58 WeakPolarHBondContact CA-O 3.14Å; M1-K58 PolarHBondContact N-O 3.26Å; E34-K58 WeakPolarHBondContact OE1-CE 3.35Å; E34-K58 IonicContact OE1-NZ 2.96Å
59E93.5Very high96.1Very high139 Ų13946.4 Ų46.465%0.6524%0.238SC*.SBendtrans-112.7153.7-176.5-63-58.6147.900111.8S57 L61S57-E59 WeakPolarHBondContact CB-O 3.41Å; S57-E59 PolarHBondContact OG-N 3.27Å; S57-E59 PolarHBondContact OG-O 2.92Å; E59-L61 PolarHBondContact O-N 3.45Å
60P93.1Very high96.1Very high61 Ų6147.1 Ų47.140%0.39624%0.237SC..  trans-58.3126.6173.4-25.635.6000113.2E2 K30 G62E2-P60 VanDerWaalsContact OE1-CB 3.31Å; E2-P60 WeakPolarHBondContact OE1-CB 3.33Å; E2-P60 WeakPolarHBondContact OE2-CA 3.16Å; K30-P60 WeakPolarHBondContact CB-O 3.42Å; P60-G62 VanDerWaalsContact C-N 3.34Å
61L94.8Very high96.1Very high2 Ų243.4 Ų43.41%0.0122%0.215CC..  trans-79.8-17-177.1-59.6179.7000113.3Y4 L26 G28 E29 K30 S57 E59 L64Y4-L61 HydrophobicContact CE1-CD1 4.44Å; Y4-L61 HydrophobicContact CE2-CD1 3.83Å; Y4-L61 HydrophobicContact CE2-CG 4.27Å; Y4-L61 WeakPolarHBondContact OH-CB 3.33Å; L26-L61 HydrophobicContact CB-CD1 3.77Å; G28-L61 CarbonylContact C-O 3.45Å; G28-L61 WeakPolarHBondContact CA-O 3.22Å; E29-L61 PolarHBondContact N-O 3.2Å; E29-L61 VanDerWaalsContact N-O 3.15Å; K30-L61 WeakPolarHBondContact CB-O 3.26Å; K30-L61 PolarHBondContact N-O 3.47Å; S57-L61 VanDerWaalsContact OG-CD2 3.29Å; S57-L61 WeakPolarHBondContact OG-CD2 3.18Å; E59-L61 PolarHBondContact O-N 3.45Å; L61-L64 HydrophobicContact CB-CD2 4.08Å; L61-L64 HydrophobicContact CD1-CD2 3.91Å
62G92.6Very high96Very high25 Ų2545.7 Ų45.726%0.25823%0.225SC..  trans70.2-154-169.100000111.1P60 L64P60-G62 VanDerWaalsContact C-N 3.34Å; G62-L64 PolarHBondContact O-N 3.04Å
63S92.4Very high95.9Very high67 Ų6745.5 Ų45.547%0.46922%0.222SC..SBendtrans-64.2129.8177.9-42.40000109.6G28 E29G28-S63 VanDerWaalsContact CA-O 3.25Å; G28-S63 WeakPolarHBondContact CA-O 3.31Å; E29-S63 PolarHBondContact N-O 2.94Å; E29-S63 WeakPolarHBondContact OE2-CB 3.5Å; E29-S63 PolarHBondContact OE2-N 2.65Å; E29-S63 PolarHBondContact OE2-OG 3.26Å
64L95.3Very high95.3Very high17 Ų1751.8 Ų51.89%0.08925%0.247CC..EExtended strand (participates in β ladder)trans-71.4134.1176.4-64.4-176.1000110.1Y4 L26 L61 G62 V87 L96 F98Y4-L64 HydrophobicContact CD1-CD1 4.21Å; Y4-L64 HydrophobicContact CE1-CD1 4.15Å; Y4-L64 HydrophobicContact CE1-CD2 4.24Å; Y4-L64 HydrophobicContact CE1-CG 4.43Å; L26-L64 HydrophobicContact CB-CD2 4.12Å; L26-L64 HydrophobicContact CD1-CD1 4.45Å; L61-L64 HydrophobicContact CB-CD2 4.08Å; L61-L64 HydrophobicContact CD1-CD2 3.91Å; G62-L64 PolarHBondContact O-N 3.04Å; L64-V87 HydrophobicContact CD1-CB 4.06Å; L64-V87 HydrophobicContact CD1-CG1 3.49Å; L64-V87 VanDerWaalsContact CD1-CG1 3.49Å; L64-V87 HydrophobicContact CD1-CG2 4.48Å; L64-L96 HydrophobicContact CB-CD1 3.97Å; L64-L96 HydrophobicContact CD1-CD1 4.15Å; L64-L96 HydrophobicContact CG-CD1 4.31Å; L64-F98 HydrophobicContact CB-CZ 4.17Å
65L95.1Very high94.7Very high18 Ų1850.6 Ų50.69%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-108.1-46-177.2-58.5179.9000111.2I27 E29 K127 L128I27-L65 PolarHBondContact O-N 3.48Å; E29-L65 HydrophobicContact CG-CD1 4.2Å; E29-L65 HydrophobicContact CG-CD2 3.97Å; E29-L65 HydrophobicContact CG-CG 4.2Å; L65-K127 HydrophobicContact CD1-CD 4.26Å; L65-L128 HydrophobicContact CB-CD2 4.04Å; L65-L128 HydrophobicContact CD2-CD1 4.17Å
66L97.8Very high94.1Very high4 Ų455.3 Ų55.32%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-140.9152.2-175.6-56.8165.5000110.5I27 I112 R113 L128 H131I27-L66 HydrophobicContact CB-CB 4.04Å; I27-L66 HydrophobicContact CD1-CB 4.02Å; I27-L66 HydrophobicContact CD1-CD1 4.29Å; I27-L66 HydrophobicContact CG1-CB 4.45Å; I27-L66 PolarHBondContact N-O 2.75Å; I27-L66 PolarHBondContact O-N 2.74Å; I27-L66 VanDerWaalsContact O-N 3.13Å; L66-I112 VanDerWaalsContact CA-O 3.28Å; L66-I112 WeakPolarHBondContact CA-O 3.47Å; L66-R113 HydrophobicContact CD2-CB 4.42Å; L66-R113 HydrophobicContact CD2-CG 3.43Å; L66-R113 VanDerWaalsContact CD2-CG 3.43Å; L66-L128 HydrophobicContact CD2-CD2 4.06Å; L66-L128 HydrophobicContact CG-CD2 4.24Å; L66-H131 HydrophobicContact CD1-CB 4.26Å; L66-H131 HydrophobicContact CD2-CB 4.49Å
67V98.4Very high93.8Very high0 Ų057.4 Ų57.40%028%0.284CS..EExtended strand (participates in β ladder)trans-109.3127.9160.7170.70000107.6M24 L26 L69 V85 V87 F98 E111 I112M24-V67 HydrophobicContact CE-CG1 3.98Å; M24-V67 HydrophobicContact CG-CG1 3.98Å; M24-V67 HydrophobicContact SD-CG1 4.13Å; L26-V67 HydrophobicContact CD2-CG2 3.85Å; V67-L69 HydrophobicContact CG1-CD2 4.29Å; V67-L69 HydrophobicContact CG1-CG 4.3Å; V67-V85 HydrophobicContact CG1-CG1 4.33Å; V67-V85 HydrophobicContact CG1-CG2 4.46Å; V67-V87 HydrophobicContact CG2-CG2 4.07Å; V67-F98 HydrophobicContact CB-CD1 4.16Å; V67-F98 HydrophobicContact CB-CG 4.37Å; V67-F98 HydrophobicContact CG2-CD1 3.72Å; V67-F98 HydrophobicContact CG2-CD2 3.83Å; V67-F98 HydrophobicContact CG2-CE1 3.8Å; V67-F98 HydrophobicContact CG2-CE2 3.9Å; V67-F98 HydrophobicContact CG2-CG 3.77Å; V67-F98 HydrophobicContact CG2-CZ 3.9Å; V67-E111 CarbonylContact O-C 3.58Å; V67-E111 WeakPolarHBondContact O-CA 3.11Å; V67-I112 HydrophobicContact CB-CD1 4.08Å; V67-I112 HydrophobicContact CB-CG1 3.7Å; V67-I112 HydrophobicContact CG1-CD1 4.21Å; V67-I112 HydrophobicContact CG1-CG1 4.23Å; V67-I112 PolarHBondContact N-O 2.97Å; V67-I112 WeakPolarHBondContact O-CG1 3.46Å; V67-I112 PolarHBondContact O-N 2.83Å
68R98.6Very high93.6Very high28 Ų2858.9 Ų58.911%0.10629%0.291CS..EExtended strand (participates in β ladder)trans-99.2124.4171.5-176.1-173.9-63.9143.42.6108.8M24 T25 I27 E32 E70 R109 V110 E111M24-R68 WeakPolarHBondContact CA-O 3.44Å; T25-R68 PolarHBondContact N-O 3.3Å; T25-R68 PolarHBondContact O-N 2.89Å; I27-R68 HydrophobicContact CD1-CB 4.13Å; I27-R68 VanDerWaalsContact CD1-NH2 3.29Å; E32-R68 IonicContact OE1-CZ 3.32Å; E32-R68 IonicContact OE1-NH1 3.44Å; E32-R68 IonicContact OE1-NH2 3.83Å; E32-R68 PolarHBondContact OE1-NH2 2.64Å; E32-R68 IonicContact OE2-CZ 3.62Å; E32-R68 IonicContact OE2-NH1 3.6Å; E32-R68 PolarHBondContact OE2-NH1 3.4Å; E32-R68 IonicContact OE2-NH2 2.88Å; R68-E70 HydrophobicContact CG-CG 4.21Å; R68-R109 HydrophobicContact CG-CG 4.21Å; R68-V110 CarbonylContact C-O 3.53Å; R68-V110 WeakPolarHBondContact CA-O 3.2Å; R68-E111 HydrophobicContact CB-CG 3.96Å; R68-E111 HydrophobicContact CG-CG 3.89Å; R68-E111 IonicContact CZ-OE1 2.71Å; R68-E111 VanDerWaalsContact CZ-OE1 3.28Å; R68-E111 IonicContact NE-OE1 3.46Å; R68-E111 PolarHBondContact NE-OE1 2.99Å; R68-E111 IonicContact NH2-OE1 3.42Å; R68-E111 PolarHBondContact NH2-OE1 2.86Å
69L98.4Very high93.6Very high0 Ų054.6 Ų54.60%028%0.275CS..EExtended strand (participates in β ladder)trans-107.9131.3170.7-65.1173.6000108.9I22 F23 M24 V67 W80 C82 V85 L104 R109 V110 I112I22-L69 HydrophobicContact CG2-CD2 4.39Å; F23-L69 WeakPolarHBondContact O-CA 3.37Å; M24-L69 HydrophobicContact CE-CD2 3.56Å; M24-L69 HydrophobicContact CG-CD2 4.43Å; V67-L69 HydrophobicContact CG1-CD2 4.29Å; V67-L69 HydrophobicContact CG1-CG 4.3Å; L69-W80 HydrophobicContact CD1-CH2 4.14Å; L69-W80 HydrophobicContact CD1-CZ3 4.06Å; L69-C82 HydrophobicContact CD1-CB 4.43Å; L69-V85 HydrophobicContact CD1-CG2 4.11Å; L69-V85 HydrophobicContact CD2-CG2 4.39Å; L69-L104 HydrophobicContact CB-CD2 4.11Å; L69-R109 WeakPolarHBondContact O-CA 3.39Å; L69-V110 PolarHBondContact N-O 3.46Å; L69-V110 PolarHBondContact O-N 3.5Å; L69-I112 HydrophobicContact CD1-CD1 4.29Å
70E98.3Very high93.8Very high34 Ų3448 Ų4816%0.15924%0.244CC..EExtended strand (participates in β ladder)trans-124.4119.7173.8-61.4179114.800109.4I22 F23 R35 R68 A108 R109I22-E70 WeakPolarHBondContact CA-O 3.39Å; F23-E70 HydrophobicContact CB-CB 4.27Å; F23-E70 PolarHBondContact N-O 2.94Å; F23-E70 PolarHBondContact O-N 2.86Å; R35-E70 IonicContact CZ-OE2 2.9Å; R35-E70 IonicContact NE-OE2 3.28Å; R35-E70 PolarHBondContact NE-OE2 2.91Å; R35-E70 IonicContact NH2-OE2 2.91Å; R68-E70 HydrophobicContact CG-CG 4.21Å; E70-A108 CarbonylContact C-O 3.57Å; E70-A108 VanDerWaalsContact CA-O 3.26Å; E70-A108 WeakPolarHBondContact CA-O 3.35Å; E70-R109 HydrophobicContact CG-CB 4.15Å; E70-R109 HydrophobicContact CG-CG 3.96Å
71K97.4Very high94Very high1 Ų146.2 Ų46.20%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-96.1125.8171.9-172175.788.366.80108.7N20 Y21 I22 E77 D78 W80 L104 G106 N107 A108N20-K71 HydrophobicContact CB-CD 4.25Å; N20-K71 HydrophobicContact CB-CG 3.94Å; N20-K71 PolarHBondContact ND2-NZ 2.99Å; Y21-K71 CarbonylContact O-C 3.54Å; Y21-K71 WeakPolarHBondContact O-CA 3.38Å; I22-K71 HydrophobicContact CD1-CB 3.83Å; I22-K71 HydrophobicContact CD1-CD 4.19Å; I22-K71 HydrophobicContact CD1-CG 3.65Å; K71-E77 IonicContact NZ-OE1 2.74Å; K71-E77 PolarHBondContact NZ-OE1 3.3Å; K71-D78 VanDerWaalsContact CE-O 3.28Å; K71-D78 WeakPolarHBondContact CE-O 3.48Å; K71-D78 PolarHBondContact NZ-O 2.83Å; K71-W80 HydrophobicContact CD-CB 4.01Å; K71-L104 HydrophobicContact CB-CB 4.37Å; K71-L104 HydrophobicContact CB-CD2 4.28Å; K71-L104 HydrophobicContact CD-CB 4.32Å; K71-L104 WeakPolarHBondContact CE-O 3.29Å; K71-G106 WeakPolarHBondContact CE-O 3.12Å; K71-G106 PolarHBondContact NZ-O 3.23Å; K71-N107 VanDerWaalsContact O-CA 3.27Å; K71-N107 WeakPolarHBondContact O-CA 3.25Å; K71-A108 HydrophobicContact CB-CB 4.43Å; K71-A108 PolarHBondContact N-O 3.45Å; K71-A108 PolarHBondContact O-N 3.23Å; K71-A108 VanDerWaalsContact O-N 3.09Å
72E95.9Very high94.1Very high74 Ų7446.1 Ų46.135%0.34623%0.229SC..EExtended strand (participates in β ladder)trans-124.8137.8174.7-68.7-175.7176.500111.1N20 Y21 F23 R35 Y74N20-E72 WeakPolarHBondContact CB-O 3.39Å; Y21-E72 PolarHBondContact N-O 3.14Å; Y21-E72 PolarHBondContact O-N 2.92Å; F23-E72 HydrophobicContact CD2-CG 4.37Å; F23-E72 HydrophobicContact CE2-CB 4.16Å; F23-E72 HydrophobicContact CE2-CG 4.13Å; F23-E72 VanDerWaalsContact CE2-OE2 3.3Å; F23-E72 WeakPolarHBondContact CE2-OE2 3.43Å; R35-E72 IonicContact CZ-OE1 3.98Å; R35-E72 IonicContact NH1-OE1 3.21Å; R35-E72 IonicContact NH2-OE1 3.9Å; R35-E72 PolarHBondContact NH2-OE1 2.91Å; R35-E72 IonicContact NH2-OE2 3.81Å; E72-Y74 PolarHBondContact O-N 2.97Å
73K93.8Very high94.4Very high110 Ų11047.9 Ų47.948%0.47823%0.228SC..  trans-58127.4179.5-175.3-179.6174.6-177.10112.1N20 F75 N107N20-K73 VanDerWaalsContact OD1-CA 3.29Å; N20-K73 WeakPolarHBondContact OD1-CA 3.48Å; K73-F75 WeakPolarHBondContact CE-O 3.3Å; K73-N107 PolarHBondContact N-OD1 2.84Å
74Y86.6Confident94.7Very high141 Ų14147.1 Ų47.155%0.55322%0.215SC*.  trans-87.5-80.7167.7174.6-134.2000111.5N20 Y21 E72N20-Y74 PolarHBondContact OD1-N 3.27Å; Y21-Y74 HydrophobicContact CD2-CD2 4.41Å; Y21-Y74 HydrophobicContact CE1-CD2 4.05Å; Y21-Y74 HydrophobicContact CE1-CG 4.42Å; Y21-Y74 AromaticContact CE2-CD2 3.44Å; Y21-Y74 HydrophobicContact CE2-CD2 3.44Å; Y21-Y74 VanDerWaalsContact CE2-CD2 3.44Å; Y21-Y74 HydrophobicContact CE2-CE2 4.36Å; Y21-Y74 HydrophobicContact CE2-CG 4.02Å; Y21-Y74 AromaticContact CZ-CD2 3.23Å; Y21-Y74 AromaticContact CZ-CE2 3.78Å; Y21-Y74 AromaticContact CZ-CG 3.93Å; Y21-Y74 WeakPolarHBondContact OH-CD2 3.45Å; Y21-Y74 WeakPolarHBondContact OH-CE2 3.25Å; E72-Y74 PolarHBondContact O-N 2.97Å
75F82.4Confident94.8Very high165 Ų16546.3 Ų46.372%0.72421%0.211SC*.SBendtrans-125.8-58.4-177.1-171.8-108.4000112.4K73K73-F75 WeakPolarHBondContact CE-O 3.3Å
76V85.9Confident95Very high99 Ų9946 Ų4660%0.621%0.211SC*.SBendtrans-103.5135.3173.1176.70000108.6N20N20-V76 PolarHBondContact ND2-O 2.78Å; N20-V76 PolarHBondContact OD1-O 3.24Å
77E88.8Confident95Very high73 Ų7345.9 Ų45.934%0.34121%0.21SC..  trans-72.6130.8174.1-173.159.3-136.700109.6K71 G106K71-E77 IonicContact NZ-OE1 2.74Å; K71-E77 PolarHBondContact NZ-OE1 3.3Å; E77-G106 WeakPolarHBondContact OE1-CA 3.4Å; E77-G106 PolarHBondContact OE1-N 2.95Å
78D91.4Very high94.9Very high36 Ų3650 Ų5019%0.19323%0.229CC..  trans-141.8159.2171.360.623.1000109.2T18 N19 N20 K71T18-D78 WeakPolarHBondContact CA-OD2 3.41Å; T18-D78 VanDerWaalsContact CB-OD1 3.3Å; T18-D78 WeakPolarHBondContact CB-OD1 3.29Å; T18-D78 PolarHBondContact OG1-OD1 3.28Å; N19-D78 PolarHBondContact N-OD2 3.14Å; N20-D78 PolarHBondContact ND2-N 3.04Å; N20-D78 PolarHBondContact ND2-O 3.46Å; N20-D78 PolarHBondContact ND2-OD1 2.87Å; K71-D78 VanDerWaalsContact CE-O 3.28Å; K71-D78 WeakPolarHBondContact CE-O 3.48Å; K71-D78 PolarHBondContact NZ-O 2.83Å
79N94.9Very high94.5Very high52 Ų5249.1 Ų49.128%0.27823%0.227SC..  trans-89.6157.2174.4-63-20.3000109.2W103N79-W103 HydrophobicContact CB-CE3 3.77Å; N79-W103 HydrophobicContact CB-CZ3 3.96Å
80W97.3Very high94Very high0 Ų051.4 Ų51.40%024%0.242CC..EExtended strand (participates in β ladder)trans-130.6129.2174.9-179.147.1000110.5V8 T10 S16 T18 I22 F45 L69 K71 C82 W103 L104V8-W80 HydrophobicContact CG1-CH2 3.67Å; V8-W80 HydrophobicContact CG1-CZ2 3.49Å; V8-W80 VanDerWaalsContact CG1-CZ2 3.49Å; T10-W80 PolarHBondContact OG1-NE1 3.22Å; T10-W80 VanDerWaalsContact OG1-NE1 3.07Å; S16-W80 VanDerWaalsContact O-CD1 3.24Å; T18-W80 HydrophobicContact CG2-CB 3.71Å; T18-W80 VanDerWaalsContact CG2-CD1 3.45Å; T18-W80 HydrophobicContact CG2-CD2 4.08Å; T18-W80 HydrophobicContact CG2-CG 3.46Å; T18-W80 VanDerWaalsContact CG2-CG 3.46Å; I22-W80 HydrophobicContact CD1-CD2 4.18Å; I22-W80 HydrophobicContact CD1-CE3 3.63Å; I22-W80 HydrophobicContact CD1-CZ3 3.91Å; I22-W80 HydrophobicContact CG1-CE3 4.32Å; I22-W80 HydrophobicContact CG1-CZ3 4.29Å; I22-W80 HydrophobicContact CG2-CH2 4.08Å; I22-W80 HydrophobicContact CG2-CZ3 3.92Å; F45-W80 HydrophobicContact CD1-CH2 4.43Å; F45-W80 AromaticContact CD1-CZ2 3.67Å; F45-W80 HydrophobicContact CD1-CZ2 3.67Å; F45-W80 HydrophobicContact CE1-CH2 4.44Å; F45-W80 HydrophobicContact CE1-CZ2 4.08Å; F45-W80 HydrophobicContact CG-CZ2 4.48Å; L69-W80 HydrophobicContact CD1-CH2 4.14Å; L69-W80 HydrophobicContact CD1-CZ3 4.06Å; K71-W80 HydrophobicContact CD-CB 4.01Å; W80-C82 HydrophobicContact CD2-CB 4.41Å; W80-C82 HydrophobicContact CE3-CB 4.3Å; W80-C82 HydrophobicContact CH2-CB 3.78Å; W80-C82 HydrophobicContact CZ2-CB 3.89Å; W80-C82 HydrophobicContact CZ3-CB 3.99Å; W80-W103 CarbonylContact O-C 3.5Å; W80-W103 WeakPolarHBondContact O-CA 3.3Å; W80-L104 HydrophobicContact CE3-CB 4.3Å; W80-L104 HydrophobicContact CE3-CD1 4.09Å; W80-L104 HydrophobicContact CE3-CD2 3.91Å; W80-L104 HydrophobicContact CE3-CG 4.32Å; W80-L104 HydrophobicContact CZ3-CD1 4.37Å; W80-L104 HydrophobicContact CZ3-CD2 4Å; W80-L104 PolarHBondContact N-O 3.42Å; W80-L104 PolarHBondContact O-N 3.31Å
81F97.6Very high93.1Very high24 Ų2454.1 Ų54.111%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-100.1110.9171.3-171.7-96.4000110G11 S16 R83 Y101 R102 W103G11-F81 PolarHBondContact N-O 2.85Å; S16-F81 PolarHBondContact O-N 3.31Å; F81-R83 HydrophobicContact CD1-CG 4.16Å; F81-R83 HydrophobicContact CE1-CG 4.01Å; F81-Y101 HydrophobicContact CE1-CD1 4.48Å; F81-Y101 VanDerWaalsContact CE2-C 3.46Å; F81-Y101 WeakPolarHBondContact CE2-O 3.42Å; F81-Y101 VanDerWaalsContact CZ-C 3.42Å; F81-R102 VanDerWaalsContact CD2-C 3.5Å; F81-W103 HydrophobicContact CB-CD2 3.9Å; F81-W103 HydrophobicContact CB-CE3 3.82Å; F81-W103 HydrophobicContact CB-CH2 4.08Å; F81-W103 HydrophobicContact CB-CZ2 4.11Å; F81-W103 HydrophobicContact CB-CZ3 3.93Å; F81-W103 AromaticContact CD2-CD1 3.49Å; F81-W103 VanDerWaalsContact CD2-CD1 3.49Å; F81-W103 AromaticContact CD2-CD2 3.76Å; F81-W103 HydrophobicContact CD2-CD2 3.76Å; F81-W103 AromaticContact CD2-CE2 3.62Å; F81-W103 AromaticContact CD2-CG 3.72Å; F81-W103 HydrophobicContact CD2-CG 3.72Å; F81-W103 HydrophobicContact CD2-CZ2 4.31Å; F81-W103 AromaticContact CD2-NE1 3.43Å; F81-W103 AromaticContact CE2-CD1 3.9Å; F81-W103 HydrophobicContact CE2-CG 4.5Å; F81-W103 AromaticContact CE2-NE1 3.89Å; F81-W103 HydrophobicContact CG-CD2 4.3Å; F81-W103 HydrophobicContact CG-CZ2 4.46Å
82C98.2Very high92.1Very high0 Ų059.3 Ų59.30%030%0.303CS..EExtended strand (participates in β ladder)trans-90.6123.6174.2-1760000109.4L69 W80 C100 Y101 R102 L104L69-C82 HydrophobicContact CD1-CB 4.43Å; W80-C82 HydrophobicContact CD2-CB 4.41Å; W80-C82 HydrophobicContact CE3-CB 4.3Å; W80-C82 HydrophobicContact CH2-CB 3.78Å; W80-C82 HydrophobicContact CZ2-CB 3.89Å; W80-C82 HydrophobicContact CZ3-CB 3.99Å; C82-C100 HydrophobicContact CB-CB 4.17Å; C82-Y101 VanDerWaalsContact O-CA 3.24Å; C82-Y101 WeakPolarHBondContact O-CA 3.16Å; C82-Y101 PolarHBondContact O-N 2.68Å; C82-R102 PolarHBondContact N-O 2.99Å; C82-R102 PolarHBondContact O-N 3.13Å; C82-L104 HydrophobicContact CB-CD1 4.18Å
83R98Very high91Very high62 Ų6266.4 Ų66.423%0.23433%0.333CS..EExtended strand (participates in β ladder)trans-78.2-59.9175.1-67.6174.863.6-159.7-2.7110.3A9 T10 F81 C100 Y101A9-R83 HydrophobicContact CB-CB 4.13Å; A9-R83 WeakPolarHBondContact O-CB 3.38Å; A9-R83 PolarHBondContact O-N 2.8Å; T10-R83 VanDerWaalsContact O-CD 3.3Å; T10-R83 WeakPolarHBondContact O-CD 3.38Å; F81-R83 HydrophobicContact CD1-CG 4.16Å; F81-R83 HydrophobicContact CE1-CG 4.01Å; R83-C100 WeakPolarHBondContact O-CA 3.33Å; R83-C100 PolarHBondContact O-N 3.23Å; R83-Y101 HydrophobicContact CB-CD1 4.14Å; R83-Y101 HydrophobicContact CB-CE1 3.9Å; R83-Y101 HydrophobicContact CG-CD1 4.48Å; R83-Y101 HydrophobicContact CG-CE1 4.42Å; R83-Y101 WeakPolarHBondContact O-CD1 3.36Å; R83-Y101 PolarHBondContact O-N 3.24Å
84Y98.1Very high90.6Very high51 Ų5168.1 Ų68.120%0.234%0.336CS..EExtended strand (participates in β ladder)trans-158.2162.2-179.658-99.2000110.7A9 T86 F98A9-Y84 HydrophobicContact CB-CD1 3.92Å; A9-Y84 HydrophobicContact CB-CD2 3.9Å; A9-Y84 HydrophobicContact CB-CE1 3.55Å; A9-Y84 HydrophobicContact CB-CE2 3.55Å; A9-Y84 HydrophobicContact CB-CG 4.07Å; A9-Y84 PolarHBondContact N-O 3.01Å; Y84-T86 HydrophobicContact CD2-CG2 3.87Å; Y84-T86 HydrophobicContact CE2-CG2 4.01Å; Y84-F98 WeakPolarHBondContact CA-O 3.27Å
85V98.5Very high90.9Very high0 Ų065.2 Ų65.20%033%0.33CS..EExtended strand (participates in β ladder)trans-117.8135.4167179.70000108.2T7 V8 M24 V67 L69 V87 F98 I112T7-V85 CarbonylContact O-C 3.52Å; T7-V85 VanDerWaalsContact O-CA 3.29Å; T7-V85 WeakPolarHBondContact O-CA 3.35Å; V8-V85 HydrophobicContact CG1-CG2 4.43Å; V8-V85 HydrophobicContact CG2-CG1 4.48Å; V8-V85 HydrophobicContact CG2-CG2 4.28Å; M24-V85 HydrophobicContact CE-CG1 3.61Å; M24-V85 HydrophobicContact CE-CG2 4.06Å; M24-V85 HydrophobicContact SD-CG1 4.43Å; V67-V85 HydrophobicContact CG1-CG1 4.33Å; V67-V85 HydrophobicContact CG1-CG2 4.46Å; L69-V85 HydrophobicContact CD1-CG2 4.11Å; L69-V85 HydrophobicContact CD2-CG2 4.39Å; V85-V87 HydrophobicContact CG1-CG2 4.15Å; V85-F98 HydrophobicContact CB-CB 4.31Å; V85-F98 PolarHBondContact N-O 2.88Å; V85-F98 WeakPolarHBondContact O-CB 3.35Å; V85-F98 PolarHBondContact O-N 3.2Å; V85-I112 HydrophobicContact CB-CD1 4.13Å; V85-I112 HydrophobicContact CG2-CD1 3.84Å
86T98.1Very high91.5Very high13 Ų1358.2 Ų58.28%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-112145.616668.80000110.5V6 T7 Y84 L95 L96 T97V6-T86 CarbonylContact C-O 3.44Å; V6-T86 VanDerWaalsContact CA-O 3.3Å; V6-T86 WeakPolarHBondContact CA-O 3.46Å; T7-T86 WeakPolarHBondContact CB-OG1 3.32Å; T7-T86 PolarHBondContact N-O 2.73Å; T7-T86 PolarHBondContact O-N 2.8Å; Y84-T86 HydrophobicContact CD2-CG2 3.87Å; Y84-T86 HydrophobicContact CE2-CG2 4.01Å; T86-L95 HydrophobicContact CG2-CD2 4.24Å; T86-L95 HydrophobicContact CG2-CG 4.43Å; T86-L96 CarbonylContact C-O 3.59Å; T86-L96 WeakPolarHBondContact CA-O 3.29Å; T86-T97 HydrophobicContact CG2-CG2 4.27Å
87V97.8Very high92Very high0 Ų055.1 Ų55.10%028%0.281CS..EExtended strand (participates in β ladder)trans-129.5127.4-179.4-173.90000109.1Y4 V6 L26 L64 V67 V85 P89 L96 F98Y4-V87 HydrophobicContact CD1-CG1 3.92Å; V6-V87 HydrophobicContact CG1-CG1 4.14Å; V6-V87 HydrophobicContact CG1-CG2 4.11Å; L26-V87 HydrophobicContact CD1-CG1 4.15Å; L26-V87 HydrophobicContact CD2-CG1 4.45Å; L26-V87 HydrophobicContact CD2-CG2 4.02Å; L64-V87 HydrophobicContact CD1-CB 4.06Å; L64-V87 HydrophobicContact CD1-CG1 3.49Å; L64-V87 VanDerWaalsContact CD1-CG1 3.49Å; L64-V87 HydrophobicContact CD1-CG2 4.48Å; V67-V87 HydrophobicContact CG2-CG2 4.07Å; V85-V87 HydrophobicContact CG1-CG2 4.15Å; V87-P89 WeakPolarHBondContact O-CD 3.24Å; V87-L96 PolarHBondContact N-O 3.48Å; V87-L96 PolarHBondContact O-N 3.2Å; V87-F98 HydrophobicContact CB-CE2 4.22Å; V87-F98 HydrophobicContact CG2-CD2 4.08Å; V87-F98 HydrophobicContact CG2-CE2 3.79Å
88E95.9Very high92.5Very high86 Ų8651.7 Ų51.740%0.40227%0.265SS..EExtended strand (participates in β ladder)trans-101.5106.4169.8-62.1178.3174.900108.6T5 L95T5-E88 PolarHBondContact N-O 3.43Å; T5-E88 PolarHBondContact O-N 2.79Å; E88-L95 HydrophobicContact CG-CD1 3.34Å
89P91.7Very high92.8Very high11 Ų1150.8 Ų50.87%0.07126%0.261CS..  trans-67.4151.1176.3-1731.4000112Y4 V87 G91 E92 R94 L96Y4-P89 HydrophobicContact CD1-CB 4.3Å; Y4-P89 HydrophobicContact CE1-CB 4.07Å; V87-P89 WeakPolarHBondContact O-CD 3.24Å; P89-G91 PolarHBondContact O-N 3.44Å; P89-E92 HydrophobicContact CB-CB 4.14Å; P89-E92 HydrophobicContact CB-CG 4.22Å; P89-E92 HydrophobicContact CG-CB 4.41Å; P89-E92 PolarHBondContact O-N 2.9Å; P89-R94 VanDerWaalsContact CD-O 3.32Å; P89-R94 WeakPolarHBondContact CD-O 3.46Å; P89-L96 HydrophobicContact CG-CD1 4.04Å; P89-L96 HydrophobicContact CG-CG 4.46Å
90P87.7Confident93Very high48 Ų4848.8 Ų48.831%0.31225%0.252SS..THydrogen-bonded Turntrans-62.8124.3-179.926.8-35.5000111.6E2 Y4 E92E2-P90 HydrophobicContact CB-CG 3.87Å; E2-P90 HydrophobicContact CG-CB 4.5Å; E2-P90 HydrophobicContact CG-CG 3.71Å; Y4-P90 VanDerWaalsContact CE1-CD 3.46Å; Y4-P90 HydrophobicContact CE1-CG 4.46Å; Y4-P90 HydrophobicContact CE2-CG 4.48Å; P90-E92 PolarHBondContact O-N 3.32Å
91G80Confident92.9Very high91 Ų9149.7 Ų49.794%0.93826%0.255SS*.THydrogen-bonded Turntrans78-3.517600000115P89P89-G91 PolarHBondContact O-N 3.44Å
92E75.1Confident92.9Very high110 Ų11051.7 Ų51.751%0.51426%0.262SS..  trans-93.7146.1171.9-66.6-172-152.400110.9P89 P90 R94P89-E92 HydrophobicContact CB-CB 4.14Å; P89-E92 HydrophobicContact CB-CG 4.22Å; P89-E92 HydrophobicContact CG-CB 4.41Å; P89-E92 PolarHBondContact O-N 2.9Å; P90-E92 PolarHBondContact O-N 3.32Å; E92-R94 VanDerWaalsContact C-N 3.35Å
93K74.2Confident92.8Very high222 Ų22252.5 Ų52.597%0.96527%0.265SS*.  trans-90.8-0.9171.8-69.6-172.6177.8-177.20112.9
94R84.2Confident92.8Very high147 Ų14749.6 Ų49.656%0.55525%0.254SS*.PPolyproline II helixtrans-94.3118.9-174.5-176.7176.8174.4173.9-3.2109.7P89 E92 L96P89-R94 VanDerWaalsContact CD-O 3.32Å; P89-R94 WeakPolarHBondContact CD-O 3.46Å; E92-R94 VanDerWaalsContact C-N 3.35Å; R94-L96 HydrophobicContact CG-CD2 4.23Å
95L92.6Very high92.6Very high80 Ų8051.2 Ų51.242%0.41927%0.265SS..PPolyproline II helixtrans-76.9126.9168-172.168.7000108.8T86 E88T86-L95 HydrophobicContact CG2-CD2 4.24Å; T86-L95 HydrophobicContact CG2-CG 4.43Å; E88-L95 HydrophobicContact CG-CD1 3.34Å
96L95.8Very high92.4Very high18 Ų1852.2 Ų52.29%0.09428%0.275CS..EExtended strand (participates in β ladder)trans-98.7129.6173-60.3177.5000108.9L64 T86 V87 P89 R94 F98 E114L64-L96 HydrophobicContact CB-CD1 3.97Å; L64-L96 HydrophobicContact CD1-CD1 4.15Å; L64-L96 HydrophobicContact CG-CD1 4.31Å; T86-L96 CarbonylContact C-O 3.59Å; T86-L96 WeakPolarHBondContact CA-O 3.29Å; V87-L96 PolarHBondContact N-O 3.48Å; V87-L96 PolarHBondContact O-N 3.2Å; P89-L96 HydrophobicContact CG-CD1 4.04Å; P89-L96 HydrophobicContact CG-CG 4.46Å; R94-L96 HydrophobicContact CG-CD2 4.23Å; L96-F98 HydrophobicContact CB-CE2 3.76Å; L96-F98 HydrophobicContact CB-CZ 4.43Å; L96-E114 HydrophobicContact CB-CG 4.27Å; L96-E114 HydrophobicContact CD2-CG 4.36Å
97T97.3Very high92.2Very high34 Ų3457.4 Ų57.421%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-109.4133.3-179.7-60.50000109.5T86 P99 E114 G115 T623T86-T97 HydrophobicContact CG2-CG2 4.27Å; T97-P99 HydrophobicContact CG2-CG 4.49Å; T97-P99 WeakPolarHBondContact O-CD 3.4Å; T97-E114 CarbonylContact O-C 3.53Å; T97-G115 PolarHBondContact O-N 3.39Å; T97-T623 HydrophobicContact CG2-CG2 3.93Å
98F98.3Very high92.1Very high0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-11991178.6-63.4-103.5000108.3L64 V67 Y84 V85 V87 L96 C100 I112 R113 E114L64-F98 HydrophobicContact CB-CZ 4.17Å; V67-F98 HydrophobicContact CB-CD1 4.16Å; V67-F98 HydrophobicContact CB-CG 4.37Å; V67-F98 HydrophobicContact CG2-CD1 3.72Å; V67-F98 HydrophobicContact CG2-CD2 3.83Å; V67-F98 HydrophobicContact CG2-CE1 3.8Å; V67-F98 HydrophobicContact CG2-CE2 3.9Å; V67-F98 HydrophobicContact CG2-CG 3.77Å; V67-F98 HydrophobicContact CG2-CZ 3.9Å; Y84-F98 WeakPolarHBondContact CA-O 3.27Å; V85-F98 HydrophobicContact CB-CB 4.31Å; V85-F98 PolarHBondContact N-O 2.88Å; V85-F98 WeakPolarHBondContact O-CB 3.35Å; V85-F98 PolarHBondContact O-N 3.2Å; V87-F98 HydrophobicContact CB-CE2 4.22Å; V87-F98 HydrophobicContact CG2-CD2 4.08Å; V87-F98 HydrophobicContact CG2-CE2 3.79Å; L96-F98 HydrophobicContact CB-CE2 3.76Å; L96-F98 HydrophobicContact CB-CZ 4.43Å; F98-C100 PolarHBondContact O-N 2.85Å; F98-I112 HydrophobicContact CB-CD1 3.59Å; F98-I112 HydrophobicContact CB-CG1 3.89Å; F98-I112 HydrophobicContact CD1-CG1 4.35Å; F98-R113 WeakPolarHBondContact CD1-O 3.32Å; F98-E114 HydrophobicContact CD1-CB 4.23Å; F98-E114 VanDerWaalsContact CD1-N 3.29Å; F98-E114 HydrophobicContact CE1-CB 3.82Å; F98-E114 HydrophobicContact CE1-CG 4.44Å; F98-E114 HydrophobicContact CE2-CG 4.46Å; F98-E114 HydrophobicContact CZ-CB 4.06Å; F98-E114 HydrophobicContact CZ-CG 4.21Å
99P98.1Very high92.1Very high17 Ų1761.3 Ų61.311%0.1132%0.318CS..EExtended strand (participates in β ladder)trans-59.1128.6174.4-23.635.3000110.7T97 Y101 T623T97-P99 HydrophobicContact CG2-CG 4.49Å; T97-P99 WeakPolarHBondContact O-CD 3.4Å; P99-Y101 HydrophobicContact CB-CD2 4.17Å; P99-Y101 HydrophobicContact CB-CE2 3.85Å; P99-T623 HydrophobicContact CG-CG2 3.94Å
100C97.8Very high92.3Very high11 Ų1161.6 Ų61.67%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-112.4-64.6178.7-174.80000110.6C82 R83 F98 R102 I112C82-C100 HydrophobicContact CB-CB 4.17Å; R83-C100 WeakPolarHBondContact O-CA 3.33Å; R83-C100 PolarHBondContact O-N 3.23Å; F98-C100 PolarHBondContact O-N 2.85Å; C100-R102 VanDerWaalsContact C-N 3.27Å; C100-R102 WeakPolarHBondContact O-CG 3.22Å; C100-R102 PolarHBondContact O-N 3.04Å; C100-I112 HydrophobicContact CB-CD1 4.23Å; C100-I112 HydrophobicContact CB-CG2 4.1Å
101Y97.1Very high92.8Very high18 Ų1861.7 Ų61.77%0.07132%0.316CS..EExtended strand (participates in β ladder)trans46.943.6-178-54.3-65.3000114.4F81 C82 R83 P99 Q619 E620 H621F81-Y101 HydrophobicContact CE1-CD1 4.48Å; F81-Y101 VanDerWaalsContact CE2-C 3.46Å; F81-Y101 WeakPolarHBondContact CE2-O 3.42Å; F81-Y101 VanDerWaalsContact CZ-C 3.42Å; C82-Y101 VanDerWaalsContact O-CA 3.24Å; C82-Y101 WeakPolarHBondContact O-CA 3.16Å; C82-Y101 PolarHBondContact O-N 2.68Å; R83-Y101 HydrophobicContact CB-CD1 4.14Å; R83-Y101 HydrophobicContact CB-CE1 3.9Å; R83-Y101 HydrophobicContact CG-CD1 4.48Å; R83-Y101 HydrophobicContact CG-CE1 4.42Å; R83-Y101 WeakPolarHBondContact O-CD1 3.36Å; R83-Y101 PolarHBondContact O-N 3.24Å; P99-Y101 HydrophobicContact CB-CD2 4.17Å; P99-Y101 HydrophobicContact CB-CE2 3.85Å; Y101-Q619 HydrophobicContact CD1-CB 3.89Å; Y101-Q619 HydrophobicContact CD1-CG 3.59Å; Y101-Q619 HydrophobicContact CD2-CB 3.94Å; Y101-Q619 HydrophobicContact CD2-CG 4.42Å; Y101-Q619 HydrophobicContact CE1-CB 3.88Å; Y101-Q619 HydrophobicContact CE1-CG 3.9Å; Y101-Q619 HydrophobicContact CE2-CB 3.91Å; Y101-Q619 HydrophobicContact CG-CB 3.94Å; Y101-Q619 HydrophobicContact CG-CG 3.9Å; Y101-E620 PolarHBondContact OH-N 3.24Å; Y101-H621 AromaticContact CD2-CE1 3.51Å; Y101-H621 AromaticContact CD2-ND1 3.88Å; Y101-H621 AromaticContact CD2-NE2 3.9Å
102R95.8Very high93.6Very high67 Ų6757.8 Ų57.825%0.25327%0.273SS..EExtended strand (participates in β ladder)trans-134152.1-177.6-70.7-179.773.6-172.10.2112.9F81 C82 C100 E138 D167F81-R102 VanDerWaalsContact CD2-C 3.5Å; C82-R102 PolarHBondContact N-O 2.99Å; C82-R102 PolarHBondContact O-N 3.13Å; C100-R102 VanDerWaalsContact C-N 3.27Å; C100-R102 WeakPolarHBondContact O-CG 3.22Å; C100-R102 PolarHBondContact O-N 3.04Å; R102-E138 IonicContact NH2-OE1 3.71Å; R102-D167 WeakPolarHBondContact CA-OD1 3.41Å; R102-D167 IonicContact CZ-OD2 3.13Å; R102-D167 IonicContact NE-OD2 3.98Å; R102-D167 PolarHBondContact NE-OD2 3.32Å; R102-D167 IonicContact NH2-OD2 3.8Å
103W96.9Very high94.6Very high16 Ų1653.8 Ų53.86%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-82.9122.8169.5-69.994.9000110.7Y15 N79 W80 F81 I105 Q166 D167Y15-W103 WeakPolarHBondContact O-CZ3 3.32Å; N79-W103 HydrophobicContact CB-CE3 3.77Å; N79-W103 HydrophobicContact CB-CZ3 3.96Å; W80-W103 CarbonylContact O-C 3.5Å; W80-W103 WeakPolarHBondContact O-CA 3.3Å; F81-W103 HydrophobicContact CB-CD2 3.9Å; F81-W103 HydrophobicContact CB-CE3 3.82Å; F81-W103 HydrophobicContact CB-CH2 4.08Å; F81-W103 HydrophobicContact CB-CZ2 4.11Å; F81-W103 HydrophobicContact CB-CZ3 3.93Å; F81-W103 AromaticContact CD2-CD1 3.49Å; F81-W103 VanDerWaalsContact CD2-CD1 3.49Å; F81-W103 AromaticContact CD2-CD2 3.76Å; F81-W103 HydrophobicContact CD2-CD2 3.76Å; F81-W103 AromaticContact CD2-CE2 3.62Å; F81-W103 AromaticContact CD2-CG 3.72Å; F81-W103 HydrophobicContact CD2-CG 3.72Å; F81-W103 HydrophobicContact CD2-CZ2 4.31Å; F81-W103 AromaticContact CD2-NE1 3.43Å; F81-W103 AromaticContact CE2-CD1 3.9Å; F81-W103 HydrophobicContact CE2-CG 4.5Å; F81-W103 AromaticContact CE2-NE1 3.89Å; F81-W103 HydrophobicContact CG-CD2 4.3Å; F81-W103 HydrophobicContact CG-CZ2 4.46Å; W103-I105 HydrophobicContact CB-CG1 4.2Å; W103-Q166 HydrophobicContact CB-CB 4.07Å; W103-Q166 HydrophobicContact CB-CG 3.95Å; W103-Q166 HydrophobicContact CD2-CG 3.76Å; W103-Q166 HydrophobicContact CG-CB 4.06Å; W103-Q166 HydrophobicContact CG-CG 3.47Å; W103-Q166 VanDerWaalsContact CG-CG 3.47Å; W103-D167 WeakPolarHBondContact CB-OD1 3.33Å; W103-D167 PolarHBondContact N-OD1 3.38Å
104L97.2Very high95.7Very high1 Ų144.7 Ų44.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-92.9112.9166.8-75.479.4000108.1L69 K71 W80 C82 A108 V110L69-L104 HydrophobicContact CB-CD2 4.11Å; K71-L104 HydrophobicContact CB-CB 4.37Å; K71-L104 HydrophobicContact CB-CD2 4.28Å; K71-L104 HydrophobicContact CD-CB 4.32Å; K71-L104 WeakPolarHBondContact CE-O 3.29Å; W80-L104 HydrophobicContact CE3-CB 4.3Å; W80-L104 HydrophobicContact CE3-CD1 4.09Å; W80-L104 HydrophobicContact CE3-CD2 3.91Å; W80-L104 HydrophobicContact CE3-CG 4.32Å; W80-L104 HydrophobicContact CZ3-CD1 4.37Å; W80-L104 HydrophobicContact CZ3-CD2 4Å; W80-L104 PolarHBondContact N-O 3.42Å; W80-L104 PolarHBondContact O-N 3.31Å; C82-L104 HydrophobicContact CB-CD1 4.18Å; L104-A108 HydrophobicContact CB-CB 3.92Å; L104-A108 HydrophobicContact CD2-CB 4.35Å; L104-A108 HydrophobicContact CG-CB 4.2Å; L104-V110 HydrophobicContact CD1-CG2 4.42Å; L104-V110 HydrophobicContact CD2-CG2 4.25Å; L104-V110 HydrophobicContact CG-CG2 3.98Å
105I94.8Very high96.2Very high85 Ų8537.7 Ų37.744%0.43619%0.188SC..  trans-114.2133.6-172.6-55.5173.2000109.5W103 Q166W103-I105 HydrophobicContact CB-CG1 4.2Å; I105-Q166 HydrophobicContact CD1-CB 3.52Å; I105-Q166 HydrophobicContact CD1-CG 4.37Å; I105-Q166 HydrophobicContact CG1-CB 4.5Å
106G93.8Very high96.4Very high21 Ų2135.5 Ų35.522%0.21618%0.178CC..SBendtrans64.9-149.1-179.900000112K71 E77 A108K71-G106 WeakPolarHBondContact CE-O 3.12Å; K71-G106 PolarHBondContact NZ-O 3.23Å; E77-G106 WeakPolarHBondContact OE1-CA 3.4Å; E77-G106 PolarHBondContact OE1-N 2.95Å; G106-A108 PolarHBondContact O-N 3Å
107N94.1Very high96.5Very high123 Ų12334.8 Ų34.866%0.65818%0.175SC*.SBendtrans-77107.4164.8-67.7-21.6000108.4K71 K73K71-N107 VanDerWaalsContact O-CA 3.27Å; K71-N107 WeakPolarHBondContact O-CA 3.25Å; K73-N107 PolarHBondContact N-OD1 2.84Å
108A95.4Very high96.6Very high19 Ų1936.3 Ų36.316%0.15718%0.179CC..EExtended strand (participates in β ladder)trans-120.1143.5-173.200000110.6E70 K71 L104 G106E70-A108 CarbonylContact C-O 3.57Å; E70-A108 VanDerWaalsContact CA-O 3.26Å; E70-A108 WeakPolarHBondContact CA-O 3.35Å; K71-A108 HydrophobicContact CB-CB 4.43Å; K71-A108 PolarHBondContact N-O 3.45Å; K71-A108 PolarHBondContact O-N 3.23Å; K71-A108 VanDerWaalsContact O-N 3.09Å; L104-A108 HydrophobicContact CB-CB 3.92Å; L104-A108 HydrophobicContact CD2-CB 4.35Å; L104-A108 HydrophobicContact CG-CB 4.2Å; G106-A108 PolarHBondContact O-N 3Å
109R96.5Very high96.5Very high148 Ų14836.7 Ų36.756%0.55818%0.181SC*.EExtended strand (participates in β ladder)trans-128.8119.4170172.9174.8166.5179.4-3.9108.5R68 L69 E70 E111R68-R109 HydrophobicContact CG-CG 4.21Å; L69-R109 WeakPolarHBondContact O-CA 3.39Å; E70-R109 HydrophobicContact CG-CB 4.15Å; E70-R109 HydrophobicContact CG-CG 3.96Å; R109-E111 IonicContact CZ-OE1 3.69Å; R109-E111 IonicContact NE-OE1 3.56Å; R109-E111 IonicContact NH2-OE1 3.71Å; R109-E111 PolarHBondContact NH2-OE1 3.26Å
110V96.1Very high96.5Very high17 Ų1738.5 Ų38.510%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-127.3132.5-178.7-177.90000109.2R68 L69 L104 I112R68-V110 CarbonylContact C-O 3.53Å; R68-V110 WeakPolarHBondContact CA-O 3.2Å; L69-V110 PolarHBondContact N-O 3.46Å; L69-V110 PolarHBondContact O-N 3.5Å; L104-V110 HydrophobicContact CD1-CG2 4.42Å; L104-V110 HydrophobicContact CD2-CG2 4.25Å; L104-V110 HydrophobicContact CG-CG2 3.98Å; V110-I112 HydrophobicContact CG1-CG2 3.87Å
111E97.4Very high96.3Very high50 Ų5043.7 Ų43.723%0.23422%0.22CC..EExtended strand (participates in β ladder)trans-108.5119.5171.1-68.2-179-178.400108.7V67 R68 R109 H131V67-E111 CarbonylContact O-C 3.58Å; V67-E111 WeakPolarHBondContact O-CA 3.11Å; R68-E111 HydrophobicContact CB-CG 3.96Å; R68-E111 HydrophobicContact CG-CG 3.89Å; R68-E111 IonicContact CZ-OE1 2.71Å; R68-E111 VanDerWaalsContact CZ-OE1 3.28Å; R68-E111 IonicContact NE-OE1 3.46Å; R68-E111 PolarHBondContact NE-OE1 2.99Å; R68-E111 IonicContact NH2-OE1 3.42Å; R68-E111 PolarHBondContact NH2-OE1 2.86Å; R109-E111 IonicContact CZ-OE1 3.69Å; R109-E111 IonicContact NE-OE1 3.56Å; R109-E111 IonicContact NH2-OE1 3.71Å; R109-E111 PolarHBondContact NH2-OE1 3.26Å; E111-H131 PolarHBondContact O-NE2 3.02Å
112I97Very high96.2Very high10 Ų1046.4 Ų46.45%0.05124%0.236CC..EExtended strand (participates in β ladder)trans-108.3143.3-17859-179.7000110.6L66 V67 L69 V85 F98 C100 V110L66-I112 VanDerWaalsContact CA-O 3.28Å; L66-I112 WeakPolarHBondContact CA-O 3.47Å; V67-I112 HydrophobicContact CB-CD1 4.08Å; V67-I112 HydrophobicContact CB-CG1 3.7Å; V67-I112 HydrophobicContact CG1-CD1 4.21Å; V67-I112 HydrophobicContact CG1-CG1 4.23Å; V67-I112 PolarHBondContact N-O 2.97Å; V67-I112 WeakPolarHBondContact O-CG1 3.46Å; V67-I112 PolarHBondContact O-N 2.83Å; L69-I112 HydrophobicContact CD1-CD1 4.29Å; V85-I112 HydrophobicContact CB-CD1 4.13Å; V85-I112 HydrophobicContact CG2-CD1 3.84Å; F98-I112 HydrophobicContact CB-CD1 3.59Å; F98-I112 HydrophobicContact CB-CG1 3.89Å; F98-I112 HydrophobicContact CD1-CG1 4.35Å; C100-I112 HydrophobicContact CB-CD1 4.23Å; C100-I112 HydrophobicContact CB-CG2 4.1Å; V110-I112 HydrophobicContact CG1-CG2 3.87Å
113R97.2Very high96Very high25 Ų2543.8 Ų43.89%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-91.8156178.7-73.2-171.763.6157.41111.5L66 F98 D123 H131 V389L66-R113 HydrophobicContact CD2-CB 4.42Å; L66-R113 HydrophobicContact CD2-CG 3.43Å; L66-R113 VanDerWaalsContact CD2-CG 3.43Å; F98-R113 WeakPolarHBondContact CD1-O 3.32Å; R113-D123 IonicContact CZ-OD1 2.68Å; R113-D123 IonicContact CZ-OD2 3.62Å; R113-D123 IonicContact NH1-OD1 3.22Å; R113-D123 PolarHBondContact NH1-OD1 3.44Å; R113-D123 IonicContact NH1-OD2 3.79Å; R113-D123 PolarHBondContact NH1-OD2 3.21Å; R113-D123 IonicContact NH2-OD1 3.58Å; R113-D123 PolarHBondContact NH2-OD1 2.72Å; R113-D123 IonicContact NH2-OD2 2.77Å; R113-H131 WeakPolarHBondContact CD-ND1 3.34Å; R113-V389 HydrophobicContact CB-CB 4.48Å; R113-V389 HydrophobicContact CB-CG2 4.36Å
114E96.1Very high95.6Very high32 Ų3248.8 Ų48.815%0.1527%0.265CS..  trans-60.5147.1168.6-160.2-81.3163.400109.8L96 T97 F98 T116L96-E114 HydrophobicContact CB-CG 4.27Å; L96-E114 HydrophobicContact CD2-CG 4.36Å; T97-E114 CarbonylContact O-C 3.53Å; F98-E114 HydrophobicContact CD1-CB 4.23Å; F98-E114 VanDerWaalsContact CD1-N 3.29Å; F98-E114 HydrophobicContact CE1-CB 3.82Å; F98-E114 HydrophobicContact CE1-CG 4.44Å; F98-E114 HydrophobicContact CE2-CG 4.46Å; F98-E114 HydrophobicContact CZ-CB 4.06Å; F98-E114 HydrophobicContact CZ-CG 4.21Å; E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 3.45Å; E114-T116 WeakPolarHBondContact OE2-CB 3.28Å; E114-T116 PolarHBondContact OE2-N 2.93Å; E114-T116 PolarHBondContact OE2-OG1 3.3Å
115G95.8Very high95.4Very high0 Ų050.1 Ų50.10%027%0.274CS..SBendtrans-67.7-18.7-164.200000115.6T97 A117 K394 T623T97-G115 PolarHBondContact O-N 3.39Å; G115-A117 PolarHBondContact O-N 3.3Å; G115-K394 WeakPolarHBondContact O-CE 3.38Å; G115-K394 PolarHBondContact O-NZ 3Å; G115-T623 WeakPolarHBondContact CA-OG1 3.19Å; G115-T623 PolarHBondContact O-OG1 3.46Å
116T96.8Very high95.4Very high33 Ų3349.8 Ų49.820%0.20228%0.284CS..SBendtrans-56.5123.3177.7-53.40000109.6E114 T623 E624E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 3.45Å; E114-T116 WeakPolarHBondContact OE2-CB 3.28Å; E114-T116 PolarHBondContact OE2-N 2.93Å; E114-T116 PolarHBondContact OE2-OG1 3.3Å; T116-T623 PolarHBondContact N-OG1 3.01Å; T116-E624 HydrophobicContact CG2-CG 4.02Å
117A98.3Very high95.4Very high3 Ų352.3 Ų52.33%0.02529%0.289CS..  trans-67141.1178.700000110.8G115 V389 P391 K394 Y489 F622 E624G115-A117 PolarHBondContact O-N 3.3Å; A117-V389 VanDerWaalsContact CA-O 3.31Å; A117-V389 WeakPolarHBondContact CA-O 3.38Å; A117-P391 HydrophobicContact CB-CB 3.87Å; A117-K394 HydrophobicContact CB-CD 3.68Å; A117-Y489 HydrophobicContact CB-CD1 4.31Å; A117-Y489 HydrophobicContact CB-CE1 3.59Å; A117-F622 HydrophobicContact CB-CD1 4.36Å; A117-F622 HydrophobicContact CB-CE1 4.04Å; A117-E624 WeakPolarHBondContact CB-OE1 3.33Å; A117-E624 PolarHBondContact N-OE1 3.12Å
118K97.9Very high95.6Very high67 Ų6747.3 Ų47.329%0.29126%0.262SS..  trans-139.3131-175.4-66-73.1165.3-170.60109.7D122 R132 V389K118-D122 HydrophobicContact CB-CB 4.13Å; K118-D122 HydrophobicContact CD-CB 3.33Å; K118-D122 HydrophobicContact CG-CB 4.33Å; K118-R132 PolarHBondContact O-NH2 3.46Å; K118-V389 HydrophobicContact CB-CG2 3.89Å; K118-V389 HydrophobicContact CG-CG2 4.13Å; K118-V389 PolarHBondContact N-O 3.47Å
119T97.5Very high95.7Very high8 Ų849.8 Ų49.85%0.04927%0.272CS..  trans-77.9175.6161.166.50000109.5V121 D122 R132 P391 Y490T119-V121 VanDerWaalsContact C-N 3.29Å; T119-V121 PolarHBondContact O-N 2.71Å; T119-V121 WeakPolarHBondContact OG1-CG2 3.36Å; T119-D122 PolarHBondContact N-OD2 3.25Å; T119-D122 PolarHBondContact O-N 3.01Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; T119-R132 VanDerWaalsContact C-NH2 3.31Å; T119-R132 PolarHBondContact O-NH1 3.47Å; T119-P391 HydrophobicContact CG2-CG 4.19Å; T119-Y490 HydrophobicContact CG2-CE1 4.05Å
120L96.4Very high95.7Very high55 Ų5549.7 Ų49.729%0.28828%0.278SS..SBendtrans-63.1-36.6177.6-176.666.8000112.3D122 D123 L129 P500L120-D122 PolarHBondContact O-N 3.39Å; L120-D123 PolarHBondContact O-N 2.82Å; L120-L129 HydrophobicContact CD1-CD2 3.69Å; L120-P500 HydrophobicContact CD2-CG 3.44Å; L120-P500 VanDerWaalsContact CD2-CG 3.44Å
121V94.6Very high95.8Very high119 Ų11950 Ų5072%0.72128%0.279SS*.THydrogen-bonded Turntrans-70.8-20.6-176.3-62.20000113.1T119 D123T119-V121 VanDerWaalsContact C-N 3.29Å; T119-V121 PolarHBondContact O-N 2.71Å; T119-V121 WeakPolarHBondContact OG1-CG2 3.36Å; V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 2.96Å
122D93.9Very high95.8Very high75 Ų7547.8 Ų47.840%0.40127%0.268SS..THydrogen-bonded Turntrans-75.6-16176.2-59.5-58000113K118 T119 L120 S124K118-D122 HydrophobicContact CB-CB 4.13Å; K118-D122 HydrophobicContact CD-CB 3.33Å; K118-D122 HydrophobicContact CG-CB 4.33Å; T119-D122 PolarHBondContact N-OD2 3.25Å; T119-D122 PolarHBondContact O-N 3.01Å; T119-D122 PolarHBondContact OG1-OD2 3.48Å; L120-D122 PolarHBondContact O-N 3.39Å; D122-S124 PolarHBondContact O-N 2.88Å
123D92.8Very high95.9Very high12 Ų1254.9 Ų54.96%0.06430%0.298CS..  trans-88.7105.9-179.3-77.7-9.3000111.7R113 L120 V121 L128 L129 R132R113-D123 IonicContact CZ-OD1 2.68Å; R113-D123 IonicContact CZ-OD2 3.62Å; R113-D123 IonicContact NH1-OD1 3.22Å; R113-D123 PolarHBondContact NH1-OD1 3.44Å; R113-D123 IonicContact NH1-OD2 3.79Å; R113-D123 PolarHBondContact NH1-OD2 3.21Å; R113-D123 IonicContact NH2-OD1 3.58Å; R113-D123 PolarHBondContact NH2-OD1 2.72Å; R113-D123 IonicContact NH2-OD2 2.77Å; L120-D123 PolarHBondContact O-N 2.82Å; V121-D123 VanDerWaalsContact C-N 3.26Å; V121-D123 PolarHBondContact O-N 2.96Å; D123-L128 HydrophobicContact CB-CB 4.44Å; D123-L129 HydrophobicContact CB-CD2 3.66Å; D123-L129 HydrophobicContact CB-CG 4.13Å; D123-R132 IonicContact OD1-NH1 2.67Å; D123-R132 IonicContact OD2-CZ 3.51Å; D123-R132 IonicContact OD2-NH1 2.97Å; D123-R132 PolarHBondContact OD2-NH1 2.97Å
124S87.6Confident95.9Very high122 Ų12256.4 Ų56.485%0.85332%0.316SS*.  trans-95.3-17.6173.759.50000113.7D122D122-S124 PolarHBondContact O-N 2.88Å
125S93.4Very high96Very high29 Ų2955.8 Ų55.820%0.20331%0.313CS..  trans-84.1127.5-177.8174.50000111.9K127 L128 L129S125-K127 PolarHBondContact O-N 3.29Å; S125-K127 PolarHBondContact OG-N 2.9Å; S125-L128 PolarHBondContact O-N 3.48Å; S125-L129 PolarHBondContact O-N 3.01Å
126A94.6Very high96.2Very high77 Ų7756.9 Ų56.964%0.63632%0.319SS*.Hα-helixtrans-57-33.4175.300000112.8Q130A126-Q130 WeakPolarHBondContact O-CB 3.44Å; A126-Q130 PolarHBondContact O-N 3.43Å
127K94.8Very high96.3Very high74 Ų7459.9 Ų59.932%0.32233%0.331SS..Hα-helixtrans-65.2-43.7175.9-67.3-176.1-176.5177.80111.5I27 G28 L65 S125 Q130 H131I27-K127 HydrophobicContact CG2-CD 4.12Å; G28-K127 PolarHBondContact O-NZ 3.35Å; L65-K127 HydrophobicContact CD1-CD 4.26Å; S125-K127 PolarHBondContact O-N 3.29Å; S125-K127 PolarHBondContact OG-N 2.9Å; K127-Q130 PolarHBondContact O-N 3.08Å; K127-H131 WeakPolarHBondContact O-CB 3.42Å; K127-H131 PolarHBondContact O-N 2.89Å
128L96.9Very high96.2Very high18 Ų1864.4 Ų64.49%0.09435%0.351CS..Hα-helixtrans-67.5-42.4179.3-67179.4000111.4L65 L66 D123 S125 Q130 H131 R132L65-L128 HydrophobicContact CB-CD2 4.04Å; L65-L128 HydrophobicContact CD2-CD1 4.17Å; L66-L128 HydrophobicContact CD2-CD2 4.06Å; L66-L128 HydrophobicContact CG-CD2 4.24Å; D123-L128 HydrophobicContact CB-CB 4.44Å; S125-L128 PolarHBondContact O-N 3.48Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.31Å; L128-H131 PolarHBondContact O-N 2.92Å; L128-R132 VanDerWaalsContact O-CB 3.26Å; L128-R132 WeakPolarHBondContact O-CB 3.33Å; L128-R132 PolarHBondContact O-N 3.45Å
129L97.5Very high96.3Very high71 Ų7162 Ų6237%0.37234%0.341SS..Hα-helixtrans-61.8-40175.1-67.4172.2000112L120 D123 S125 K133L120-L129 HydrophobicContact CD1-CD2 3.69Å; D123-L129 HydrophobicContact CB-CD2 3.66Å; D123-L129 HydrophobicContact CB-CG 4.13Å; S125-L129 PolarHBondContact O-N 3.01Å; L129-K133 WeakPolarHBondContact O-CB 3.35Å; L129-K133 PolarHBondContact O-N 2.86Å; L129-K133 VanDerWaalsContact O-N 3.1Å
130Q97.1Very high96.3Very high146 Ų14664.3 Ų64.368%0.68235%0.351SS*.Hα-helixtrans-67.8-45.4176-176.5177.72.100112.1A126 K127 L128 R132 K133 A134A126-Q130 WeakPolarHBondContact O-CB 3.44Å; A126-Q130 PolarHBondContact O-N 3.43Å; K127-Q130 PolarHBondContact O-N 3.08Å; L128-Q130 VanDerWaalsContact C-N 3.32Å; L128-Q130 PolarHBondContact O-N 3.31Å; Q130-R132 VanDerWaalsContact C-N 3.35Å; Q130-R132 PolarHBondContact O-N 3.25Å; Q130-K133 PolarHBondContact O-N 3.12Å; Q130-A134 WeakPolarHBondContact O-CB 3.25Å; Q130-A134 PolarHBondContact O-N 3.38Å
131H97.8Very high96.4Very high25 Ų2566.5 Ų66.512%0.11636%0.363CS..Hα-helixtrans-55-51.1175.4166.6-85.8000110.9L66 E111 R113 K127 L128 K133 A134 E135L66-H131 HydrophobicContact CD1-CB 4.26Å; L66-H131 HydrophobicContact CD2-CB 4.49Å; E111-H131 PolarHBondContact O-NE2 3.02Å; R113-H131 WeakPolarHBondContact CD-ND1 3.34Å; K127-H131 WeakPolarHBondContact O-CB 3.42Å; K127-H131 PolarHBondContact O-N 2.89Å; L128-H131 PolarHBondContact O-N 2.92Å; H131-K133 PolarHBondContact O-N 2.95Å; H131-A134 PolarHBondContact O-N 2.98Å; H131-A134 VanDerWaalsContact O-N 3.16Å; H131-E135 IonicContact CE1-OE2 3.8Å; H131-E135 PolarHBondContact O-N 3.49Å
132R98.3Very high96.6Very high2 Ų263.9 Ų63.91%0.00835%0.347CS..Hα-helixtrans-58.2-46.9-180-168.1177.8-154.2127.58.6112.9K118 T119 D123 L128 Q130 E135 L136 P387 E501K118-R132 PolarHBondContact O-NH2 3.46Å; T119-R132 VanDerWaalsContact C-NH2 3.31Å; T119-R132 PolarHBondContact O-NH1 3.47Å; D123-R132 IonicContact OD1-NH1 2.67Å; D123-R132 IonicContact OD2-CZ 3.51Å; D123-R132 IonicContact OD2-NH1 2.97Å; D123-R132 PolarHBondContact OD2-NH1 2.97Å; L128-R132 VanDerWaalsContact O-CB 3.26Å; L128-R132 WeakPolarHBondContact O-CB 3.33Å; L128-R132 PolarHBondContact O-N 3.45Å; Q130-R132 VanDerWaalsContact C-N 3.35Å; Q130-R132 PolarHBondContact O-N 3.25Å; R132-E135 PolarHBondContact O-N 2.8Å; R132-L136 PolarHBondContact O-N 2.89Å; R132-L136 VanDerWaalsContact O-N 3.08Å; R132-P387 HydrophobicContact CG-CB 4.09Å; R132-P387 HydrophobicContact CG-CG 3.84Å; R132-E501 VanDerWaalsContact CD-OE1 3.24Å; R132-E501 WeakPolarHBondContact CD-OE1 3.45Å; R132-E501 WeakPolarHBondContact CG-OE1 3.46Å; R132-E501 IonicContact CZ-OE1 3.28Å; R132-E501 IonicContact CZ-OE2 4Å; R132-E501 IonicContact NE-OE1 2.81Å; R132-E501 PolarHBondContact NE-OE1 2.98Å; R132-E501 IonicContact NE-OE2 2.79Å; R132-E501 PolarHBondContact NE-OE2 3.42Å; R132-E501 VanDerWaalsContact NE-OE2 3.13Å; R132-E501 IonicContact NH2-OE1 3.05Å; R132-E501 IonicContact NH2-OE2 3.83Å; R132-E501 PolarHBondContact NH2-OE2 2.84Å
133K98.2Very high96.8Very high160 Ų16061 Ų6170%0.69633%0.331SS*.Hα-helixtrans-63.3-41.6176.3-177.8177.7178.3178.80112L129 Q130 H131 Q137L129-K133 WeakPolarHBondContact O-CB 3.35Å; L129-K133 PolarHBondContact O-N 2.86Å; L129-K133 VanDerWaalsContact O-N 3.1Å; Q130-K133 PolarHBondContact O-N 3.12Å; H131-K133 PolarHBondContact O-N 2.95Å; K133-Q137 WeakPolarHBondContact O-CB 3.29Å; K133-Q137 PolarHBondContact O-N 3.27Å
134A98.2Very high97.1Very high57 Ų5766.9 Ų66.947%0.47135%0.352SS..Hα-helixtrans-66.3-42.7178.700000111.6Q130 H131 Q137 E138Q130-A134 WeakPolarHBondContact O-CB 3.25Å; Q130-A134 PolarHBondContact O-N 3.38Å; H131-A134 PolarHBondContact O-N 2.98Å; H131-A134 VanDerWaalsContact O-N 3.16Å; A134-Q137 PolarHBondContact O-N 3.1Å; A134-E138 WeakPolarHBondContact O-CB 3.16Å; A134-E138 PolarHBondContact O-N 2.85Å
135E98.4Very high97.6Very high18 Ų1862 Ų628%0.08432%0.315CS..Hα-helixtrans-57.6-51.6175-179.8-179.4-167.800111H131 R132 Q137 E138 R139 P387 A388H131-E135 IonicContact CE1-OE2 3.8Å; H131-E135 PolarHBondContact O-N 3.49Å; R132-E135 PolarHBondContact O-N 2.8Å; E135-Q137 VanDerWaalsContact C-N 3.33Å; E135-Q137 PolarHBondContact O-N 2.79Å; E135-E138 PolarHBondContact O-N 2.94Å; E135-R139 HydrophobicContact CG-CG 4.45Å; E135-R139 WeakPolarHBondContact O-CG 3.34Å; E135-R139 PolarHBondContact O-N 3.07Å; E135-R139 IonicContact OE1-CZ 2.8Å; E135-R139 IonicContact OE1-NE 2.89Å; E135-R139 PolarHBondContact OE1-NE 3.12Å; E135-R139 IonicContact OE1-NH2 3.62Å; E135-R139 PolarHBondContact OE1-NH2 3.43Å; E135-P387 VanDerWaalsContact OE2-CB 3.27Å; E135-P387 WeakPolarHBondContact OE2-CB 3.42Å; E135-A388 VanDerWaalsContact OE1-CB 3.31Å; E135-A388 WeakPolarHBondContact OE1-CB 3.41Å; E135-A388 PolarHBondContact OE1-N 2.79Å; E135-A388 PolarHBondContact OE2-N 3.09Å
136L98.6Very high97.8Very high23 Ų2362.7 Ų62.712%0.1232%0.318CS..Hα-helixtrans-61.2-41.6179.1-72.4177.8000112R132 E138 R139 Q140 Q385 P387 E501R132-L136 PolarHBondContact O-N 2.89Å; R132-L136 VanDerWaalsContact O-N 3.08Å; L136-E138 PolarHBondContact O-N 3.35Å; L136-R139 PolarHBondContact O-N 2.91Å; L136-Q140 WeakPolarHBondContact O-CB 3.5Å; L136-Q140 WeakPolarHBondContact O-CG 3.33Å; L136-Q140 PolarHBondContact O-N 3.47Å; L136-Q385 WeakPolarHBondContact CD2-O 3.35Å; L136-P387 HydrophobicContact CD2-CB 4.31Å; L136-P387 HydrophobicContact CG-CB 4.37Å; L136-E501 HydrophobicContact CD1-CG 4.36Å
137Q98.6Very high97.9Very high96 Ų9662.2 Ų62.245%0.44931%0.307SS..Hα-helixtrans-62.9-42176.9-175.762.671.900112.3K133 A134 E135 N141K133-Q137 WeakPolarHBondContact O-CB 3.29Å; K133-Q137 PolarHBondContact O-N 3.27Å; A134-Q137 PolarHBondContact O-N 3.1Å; E135-Q137 VanDerWaalsContact C-N 3.33Å; E135-Q137 PolarHBondContact O-N 2.79Å; Q137-N141 PolarHBondContact NE2-OD1 2.88Å; Q137-N141 PolarHBondContact O-N 3.44Å; Q137-N141 PolarHBondContact O-ND2 3.46Å
138E98.1Very high97.9Very high98 Ų9863.5 Ų63.546%0.45831%0.31SS..Hα-helixtrans-61.1-49.6174.3-177.1-170.315100110.4R102 A134 E135 L136 Q140 N141 T142R102-E138 IonicContact NH2-OE1 3.71Å; A134-E138 WeakPolarHBondContact O-CB 3.16Å; A134-E138 PolarHBondContact O-N 2.85Å; E135-E138 PolarHBondContact O-N 2.94Å; L136-E138 PolarHBondContact O-N 3.35Å; E138-Q140 PolarHBondContact O-N 3.42Å; E138-N141 WeakPolarHBondContact O-CB 3.38Å; E138-N141 PolarHBondContact O-N 2.76Å; E138-N141 VanDerWaalsContact O-N 3.13Å; E138-T142 PolarHBondContact O-N 3.28Å; E138-T142 PolarHBondContact O-OG1 2.84Å; E138-T142 VanDerWaalsContact O-OG1 3.07Å
139R98.4Very high97.7Very high17 Ų1763.5 Ų63.56%0.06431%0.313CS..Hα-helixtrans-64.9-37.6-178.6-67.8-166.6-172.7-170.9-4.9113E135 L136 N141 T142 F143 L383 L386E135-R139 HydrophobicContact CG-CG 4.45Å; E135-R139 WeakPolarHBondContact O-CG 3.34Å; E135-R139 PolarHBondContact O-N 3.07Å; E135-R139 IonicContact OE1-CZ 2.8Å; E135-R139 IonicContact OE1-NE 2.89Å; E135-R139 PolarHBondContact OE1-NE 3.12Å; E135-R139 IonicContact OE1-NH2 3.62Å; E135-R139 PolarHBondContact OE1-NH2 3.43Å; L136-R139 PolarHBondContact O-N 2.91Å; R139-N141 VanDerWaalsContact C-N 3.26Å; R139-N141 PolarHBondContact O-N 2.96Å; R139-T142 PolarHBondContact O-N 2.93Å; R139-F143 HydrophobicContact CB-CD2 4.24Å; R139-F143 WeakPolarHBondContact O-CD2 3.24Å; R139-F143 PolarHBondContact O-N 3.26Å; R139-L383 WeakPolarHBondContact CB-O 3.44Å; R139-L383 WeakPolarHBondContact CD-O 3.41Å; R139-L386 PolarHBondContact NH1-O 2.72Å
140Q98.7Very high97.6Very high57 Ų5764.2 Ų64.227%0.26632%0.321SS..Hα-helixtrans-65.8-28.9175.1-72.2168.5-4.400112.9L136 E138 R384 Q385L136-Q140 WeakPolarHBondContact O-CB 3.5Å; L136-Q140 WeakPolarHBondContact O-CG 3.33Å; L136-Q140 PolarHBondContact O-N 3.47Å; E138-Q140 PolarHBondContact O-N 3.42Å; Q140-R384 HydrophobicContact CG-CB 4.34Å; Q140-R384 VanDerWaalsContact CG-O 3.25Å; Q140-R384 WeakPolarHBondContact CG-O 3.23Å; Q140-R384 PolarHBondContact NE2-O 3.11Å; Q140-R384 PolarHBondContact O-NH1 2.86Å; Q140-Q385 VanDerWaalsContact NE2-OE1 3.17Å
141N98.3Very high97.4Very high100 Ų10057.8 Ų57.854%0.53529%0.293SS..Hα-helixtrans-77.1-38173.7-68.8-22.3000111.9Q137 E138 R139 R144Q137-N141 PolarHBondContact NE2-OD1 2.88Å; Q137-N141 PolarHBondContact O-N 3.44Å; Q137-N141 PolarHBondContact O-ND2 3.46Å; E138-N141 WeakPolarHBondContact O-CB 3.38Å; E138-N141 PolarHBondContact O-N 2.76Å; E138-N141 VanDerWaalsContact O-N 3.13Å; R139-N141 VanDerWaalsContact C-N 3.26Å; R139-N141 PolarHBondContact O-N 2.96Å; N141-R144 WeakPolarHBondContact O-CD 3.39Å; N141-R144 WeakPolarHBondContact O-CG 3.26Å
142T97.8Very high97.3Very high64 Ų6456.9 Ų56.939%0.39329%0.289SS..Hα-helixtrans-74.8-49.9-179-61.90000112.4E138 R139 P165E138-T142 PolarHBondContact O-N 3.28Å; E138-T142 PolarHBondContact O-OG1 2.84Å; E138-T142 VanDerWaalsContact O-OG1 3.07Å; R139-T142 PolarHBondContact O-N 2.93Å; T142-P165 HydrophobicContact CG2-CB 4.41Å; T142-P165 HydrophobicContact CG2-CG 3.3Å
143F98.5Very high97.3Very high15 Ų1557 Ų577%0.06629%0.29CS..SBendtrans-101.6101.7-178-57.1-75.5000109.1R139 P165 V168 L383 R384 L404R139-F143 HydrophobicContact CB-CD2 4.24Å; R139-F143 WeakPolarHBondContact O-CD2 3.24Å; R139-F143 PolarHBondContact O-N 3.26Å; F143-P165 HydrophobicContact CE1-CG 3.86Å; F143-P165 HydrophobicContact CZ-CG 3.92Å; F143-V168 HydrophobicContact CE1-CG1 4.07Å; F143-V168 HydrophobicContact CE1-CG2 4.16Å; F143-V168 HydrophobicContact CZ-CG1 4.14Å; F143-L383 HydrophobicContact CD1-CD1 3.95Å; F143-L383 HydrophobicContact CD2-CB 3.79Å; F143-L383 HydrophobicContact CD2-CD1 4.49Å; F143-L383 HydrophobicContact CE1-CD1 3.79Å; F143-L383 HydrophobicContact CE2-CB 4.09Å; F143-L383 HydrophobicContact CE2-CD1 4.35Å; F143-L383 HydrophobicContact CE2-CD2 4.34Å; F143-L383 HydrophobicContact CG-CB 4.01Å; F143-L383 HydrophobicContact CG-CD1 4.3Å; F143-L383 HydrophobicContact CZ-CD1 4Å; F143-L383 HydrophobicContact CZ-CD2 4.39Å; F143-R384 HydrophobicContact CB-CG 3.88Å; F143-R384 WeakPolarHBondContact O-CD 3.5Å; F143-R384 WeakPolarHBondContact O-CG 3.42Å; F143-R384 PolarHBondContact O-NH1 3.48Å; F143-L404 HydrophobicContact CD1-CD1 4.18Å; F143-L404 HydrophobicContact CE1-CD1 4.18Å
144R98.6Very high97.3Very high135 Ų13551.6 Ų51.651%0.50927%0.266SS..  trans-113.6154-179.3-58.3178.6-60.3173.44.4110.2N141 V156 D157N141-R144 WeakPolarHBondContact O-CD 3.39Å; N141-R144 WeakPolarHBondContact O-CG 3.26Å; R144-V156 CarbonylContact O-C 3.47Å; R144-V156 WeakPolarHBondContact O-CA 3.43Å; R144-D157 HydrophobicContact CB-CB 3.9Å; R144-D157 IonicContact CZ-OD2 2.71Å; R144-D157 IonicContact NE-OD2 3.01Å; R144-D157 PolarHBondContact NE-OD2 3.07Å; R144-D157 IonicContact NH2-OD2 3.2Å; R144-D157 PolarHBondContact NH2-OD2 3.03Å; R144-D157 WeakPolarHBondContact O-CB 3.45Å; R144-D157 PolarHBondContact O-N 3.46Å
145W98.5Very high97.3Very high19 Ų1949.1 Ų49.17%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-85.4136.5175.5-66.6114.2000111.6R154 C155 V377 V380 A381 D508 E512W145-R154 VanDerWaalsContact CB-CZ 3.44Å; W145-R154 HydrophobicContact CE3-CB 3.98Å; W145-R154 PolarHBondContact O-NH2 3.35Å; W145-C155 WeakPolarHBondContact CA-O 3.31Å; W145-V377 HydrophobicContact CH2-CB 4.23Å; W145-V377 HydrophobicContact CH2-CG1 4.01Å; W145-V377 HydrophobicContact CH2-CG2 4.39Å; W145-V377 WeakPolarHBondContact CH2-O 3.15Å; W145-V377 HydrophobicContact CZ3-CG2 4.35Å; W145-V380 HydrophobicContact CD2-CB 4.45Å; W145-V380 HydrophobicContact CD2-CG1 3.62Å; W145-V380 HydrophobicContact CE3-CB 4.13Å; W145-V380 HydrophobicContact CE3-CG1 3.7Å; W145-V380 HydrophobicContact CG-CG1 4.38Å; W145-V380 HydrophobicContact CH2-CB 3.55Å; W145-V380 HydrophobicContact CH2-CG1 3.75Å; W145-V380 HydrophobicContact CH2-CG2 4.46Å; W145-V380 HydrophobicContact CZ2-CB 3.89Å; W145-V380 HydrophobicContact CZ2-CG1 3.66Å; W145-V380 HydrophobicContact CZ3-CB 3.67Å; W145-V380 HydrophobicContact CZ3-CG1 3.76Å; W145-V380 HydrophobicContact CZ3-CG2 4.14Å; W145-A381 HydrophobicContact CZ2-CB 4.18Å; W145-D508 PolarHBondContact NE1-OD1 3.04Å; W145-E512 HydrophobicContact CD2-CB 4.45Å; W145-E512 HydrophobicContact CG-CB 4.24Å
146V97.7Very high97.3Very high45 Ų4548.4 Ų48.427%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-128.4148.9169.374.40000110.6W148 R154 C155 V156 D157V146-W148 PolarHBondContact O-N 2.76Å; V146-R154 WeakPolarHBondContact O-CB 3.5Å; V146-C155 VanDerWaalsContact CG1-SG 3.57Å; V146-C155 PolarHBondContact N-O 3.09Å; V146-C155 PolarHBondContact O-N 3.24Å; V146-V156 VanDerWaalsContact CG1-O 3.32Å; V146-V156 WeakPolarHBondContact CG1-O 3.36Å; V146-D157 HydrophobicContact CB-CB 3.98Å; V146-D157 HydrophobicContact CG1-CB 4.34Å
147T97Very high97.3Very high66 Ų6650.2 Ų50.241%0.40525%0.251SS..  trans-8899.7168.7-56.30000108.2A149T147-A149 VanDerWaalsContact CG2-O 3.3Å; T147-A149 WeakPolarHBondContact CG2-O 3.49Å
148W94.6Very high97.2Very high101 Ų10146.1 Ų46.138%0.38323%0.234SC..SBendtrans-66.7-42.3175175.673.9000111.5V146 I152 R411 I415 L433V146-W148 PolarHBondContact O-N 2.76Å; W148-I152 HydrophobicContact CE3-CD1 3.41Å; W148-I152 VanDerWaalsContact CE3-CD1 3.41Å; W148-I152 HydrophobicContact CZ3-CD1 3.76Å; W148-R411 HydrophobicContact CD2-CG 4.24Å; W148-R411 HydrophobicContact CG-CG 4.41Å; W148-I415 HydrophobicContact CH2-CD1 3.46Å; W148-I415 VanDerWaalsContact CH2-CD1 3.46Å; W148-I415 HydrophobicContact CH2-CG1 3.83Å; W148-I415 HydrophobicContact CZ2-CD1 3.92Å; W148-I415 HydrophobicContact CZ2-CG1 3.96Å; W148-I415 HydrophobicContact CZ3-CD1 3.83Å; W148-L433 HydrophobicContact CZ3-CD1 4.43Å
149A93.6Very high97.1Very high18 Ų1850.2 Ų50.215%0.14925%0.25CS..SBendtrans-148.7157.416700000110.1T147 I152 L433T147-A149 VanDerWaalsContact CG2-O 3.3Å; T147-A149 WeakPolarHBondContact CG2-O 3.49Å; A149-I152 HydrophobicContact CB-CD1 3.77Å; A149-I152 HydrophobicContact CB-CG1 4.22Å; A149-I152 WeakPolarHBondContact O-CG1 3.48Å; A149-L433 HydrophobicContact CB-CD1 3.53Å; A149-L433 HydrophobicContact CB-CD2 3.84Å; A149-L433 HydrophobicContact CB-CG 4.35Å
150T94.1Very high96.8Very high87 Ų8750.6 Ų50.653%0.53426%0.257SS..THydrogen-bonded Turntrans-72.2156.4177.5540000111.3I152 Q437T150-I152 VanDerWaalsContact C-N 3.3Å; T150-I152 PolarHBondContact O-N 3.42Å; T150-Q437 WeakPolarHBondContact O-CG 3.37Å; T150-Q437 PolarHBondContact O-NE2 3.01Å
151G94.2Very high96.6Very high11 Ų1149.4 Ų49.411%0.11325%0.251CS..THydrogen-bonded Turntrans65.825.3176.600000115.6Q437 Y440 E516G151-Q437 WeakPolarHBondContact O-CA 3.36Å; G151-Q437 WeakPolarHBondContact O-CG 3.5Å; G151-Y440 WeakPolarHBondContact O-CB 3.36Å; G151-Y440 WeakPolarHBondContact O-CD1 3.48Å; G151-E516 WeakPolarHBondContact CA-OE2 3.39Å; G151-E516 PolarHBondContact N-OE2 3.4Å
152I95.9Very high96.4Very high5 Ų548.8 Ų48.83%0.02625%0.251CS..SBendtrans-142.5167.5171.555.7165.7000108.7W148 A149 T150 L433 A436 Q437W148-I152 HydrophobicContact CE3-CD1 3.41Å; W148-I152 VanDerWaalsContact CE3-CD1 3.41Å; W148-I152 HydrophobicContact CZ3-CD1 3.76Å; A149-I152 HydrophobicContact CB-CD1 3.77Å; A149-I152 HydrophobicContact CB-CG1 4.22Å; A149-I152 WeakPolarHBondContact O-CG1 3.48Å; T150-I152 VanDerWaalsContact C-N 3.3Å; T150-I152 PolarHBondContact O-N 3.42Å; I152-L433 HydrophobicContact CD1-CD1 4.3Å; I152-L433 HydrophobicContact CG2-CD1 4.36Å; I152-A436 HydrophobicContact CG2-CB 4.09Å; I152-Q437 HydrophobicContact CG2-CG 4.14Å
153P97.6Very high96.4Very high5 Ų550.1 Ų50.13%0.03226%0.256CS..  trans-58.1145.3177.4-2030000112.1L369 L373 V377 Y440 F514P153-L369 HydrophobicContact CG-CD1 4.33Å; P153-L373 HydrophobicContact CG-CB 4.16Å; P153-V377 HydrophobicContact CB-CG2 3.76Å; P153-Y440 HydrophobicContact CB-CE2 4.37Å; P153-Y440 VanDerWaalsContact CD-CE2 3.48Å; P153-Y440 HydrophobicContact CG-CD2 3.92Å; P153-Y440 HydrophobicContact CG-CE2 3.51Å; P153-F514 HydrophobicContact CB-CD1 4.42Å; P153-F514 HydrophobicContact CB-CE1 4.45Å; P153-F514 HydrophobicContact CG-CD1 4.34Å; P153-F514 HydrophobicContact CG-CE1 4.23Å
154R98.2Very high96.4Very high47 Ų4749.9 Ų49.918%0.17726%0.255CS..  trans-70.2157169.1-72.6-179.464.3-160.35.5110.3W145 V146 E512 G513 T515W145-R154 VanDerWaalsContact CB-CZ 3.44Å; W145-R154 HydrophobicContact CE3-CB 3.98Å; W145-R154 PolarHBondContact O-NH2 3.35Å; V146-R154 WeakPolarHBondContact O-CB 3.5Å; R154-E512 WeakPolarHBondContact CB-O 3.31Å; R154-E512 VanDerWaalsContact CD-O 3.27Å; R154-E512 WeakPolarHBondContact CD-O 3.29Å; R154-E512 IonicContact CZ-OE2 2.79Å; R154-E512 IonicContact NH1-OE2 2.85Å; R154-E512 PolarHBondContact NH1-OE2 2.98Å; R154-G513 PolarHBondContact N-O 2.82Å; R154-T515 HydrophobicContact CG-CG2 4.5Å
155C98.3Very high96.3Very high4 Ų445.3 Ų45.33%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-132.1179.9-174.768.70000111.3W145 V146 E376W145-C155 WeakPolarHBondContact CA-O 3.31Å; V146-C155 VanDerWaalsContact CG1-SG 3.57Å; V146-C155 PolarHBondContact N-O 3.09Å; V146-C155 PolarHBondContact O-N 3.24Å; C155-E376 HydrophobicContact CB-CG 4.41Å; C155-E376 WeakPolarHBondContact CB-OE1 3.2Å
156V98.4Very high96.1Very high4 Ų445.5 Ų45.52%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-64.9140.117468.80000111R144 V146 A158 L164 E376 V380 L404R144-V156 CarbonylContact O-C 3.47Å; R144-V156 WeakPolarHBondContact O-CA 3.43Å; V146-V156 VanDerWaalsContact CG1-O 3.32Å; V146-V156 WeakPolarHBondContact CG1-O 3.36Å; V156-A158 HydrophobicContact CG1-CB 4.15Å; V156-A158 PolarHBondContact O-N 3.27Å; V156-L164 HydrophobicContact CG1-CD2 3.92Å; V156-L164 HydrophobicContact CG2-CD2 4.18Å; V156-E376 WeakPolarHBondContact CG1-OE1 3.5Å; V156-E376 PolarHBondContact N-OE1 3.15Å; V156-V380 HydrophobicContact CB-CG2 3.8Å; V156-V380 HydrophobicContact CG2-CG2 4.44Å; V156-L404 HydrophobicContact CB-CD2 4.21Å; V156-L404 HydrophobicContact CG1-CB 4.48Å; V156-L404 HydrophobicContact CG1-CD2 4.17Å; V156-L404 HydrophobicContact CG2-CD1 4.35Å
157D98.3Very high96Very high60 Ų6046 Ų4632%0.32125%0.246SC..SBendtrans-72.472.3175.1-174.727.3000111.5R144 V146R144-D157 HydrophobicContact CB-CB 3.9Å; R144-D157 IonicContact CZ-OD2 2.71Å; R144-D157 IonicContact NE-OD2 3.01Å; R144-D157 PolarHBondContact NE-OD2 3.07Å; R144-D157 IonicContact NH2-OD2 3.2Å; R144-D157 PolarHBondContact NH2-OD2 3.03Å; R144-D157 WeakPolarHBondContact O-CB 3.45Å; R144-D157 PolarHBondContact O-N 3.46Å; V146-D157 HydrophobicContact CB-CB 3.98Å; V146-D157 HydrophobicContact CG1-CB 4.34Å
158A97.3Very high96Very high10 Ų1043.8 Ų43.88%0.08323%0.232CC..  trans-140.8127.7175.300000109.3V156 D163 L164V156-A158 HydrophobicContact CG1-CB 4.15Å; V156-A158 PolarHBondContact O-N 3.27Å; A158-D163 HydrophobicContact CB-CB 3.95Å; A158-L164 HydrophobicContact CB-CD2 3.63Å; A158-L164 HydrophobicContact CB-CG 4.1Å
159K94.3Very high96.1Very high185 Ų18540.8 Ų40.880%0.80422%0.221SC*.SBendtrans-82.1-31.8179.9-63.4179.7-179.8175.70111.4D163 T412K159-D163 WeakPolarHBondContact CA-OD2 3.44Å; K159-D163 WeakPolarHBondContact CB-OD2 3.15Å; K159-D163 PolarHBondContact N-OD2 2.81Å; K159-T412 VanDerWaalsContact O-CG2 3.26Å; K159-T412 WeakPolarHBondContact O-CG2 3.45Å
160A93.9Very high96.2Very high24 Ų2440.1 Ų40.120%0.19821%0.214CC..SBendtrans-140.8167.7173.400000109.9T162 D163 T412A160-T162 PolarHBondContact O-N 2.97Å; A160-T162 VanDerWaalsContact O-N 3.17Å; A160-D163 PolarHBondContact N-OD2 2.9Å; A160-D163 VanDerWaalsContact N-OD2 3.11Å; A160-D163 WeakPolarHBondContact O-CB 3.16Å; A160-D163 PolarHBondContact O-N 2.92Å; A160-T412 HydrophobicContact CB-CG2 4.46Å
161E94.1Very high96.1Very high33 Ų3337.3 Ų37.315%0.15420%0.196CC..G310 helixtrans-61.5-22.217875.5-74.317000113.6D163 L164 R169 E405 C408 R409E161-D163 VanDerWaalsContact C-N 3.25Å; E161-D163 PolarHBondContact O-N 3.03Å; E161-L164 WeakPolarHBondContact O-CB 3.48Å; E161-L164 PolarHBondContact O-N 3.05Å; E161-R169 PolarHBondContact O-NE 2.7Å; E161-E405 WeakPolarHBondContact CB-OE1 3.11Å; E161-E405 WeakPolarHBondContact CB-OE2 3.08Å; E161-E405 WeakPolarHBondContact CG-OE1 3.02Å; E161-C408 HydrophobicContact CB-CB 4.3Å; E161-R409 HydrophobicContact CB-CG 4.3Å; E161-R409 HydrophobicContact CG-CG 4.41Å
162T94.8Very high95.9Very high86 Ų8637.8 Ų37.853%0.52820%0.196SC..G310 helixtrans-70.8-18.6174.753.30000113.9A160 L164A160-T162 PolarHBondContact O-N 2.97Å; A160-T162 VanDerWaalsContact O-N 3.17Å; T162-L164 VanDerWaalsContact C-N 3.29Å
163D96.9Very high95.7Very high92 Ų9240.6 Ų40.649%0.49221%0.209SC..G310 helixtrans-82.6-11.6177.2-56.8-30000111.8A158 K159 A160 E161A158-D163 HydrophobicContact CB-CB 3.95Å; K159-D163 WeakPolarHBondContact CA-OD2 3.44Å; K159-D163 WeakPolarHBondContact CB-OD2 3.15Å; K159-D163 PolarHBondContact N-OD2 2.81Å; A160-D163 PolarHBondContact N-OD2 2.9Å; A160-D163 VanDerWaalsContact N-OD2 3.11Å; A160-D163 WeakPolarHBondContact O-CB 3.16Å; A160-D163 PolarHBondContact O-N 2.92Å; E161-D163 VanDerWaalsContact C-N 3.25Å; E161-D163 PolarHBondContact O-N 3.03Å
164L97.7Very high95.5Very high10 Ų1040.5 Ų40.55%0.05221%0.208CC..SBendtrans-78.4146.2179.6-64.4174.4000111.5V156 A158 E161 T162 V168 R169 L404 E405 C408V156-L164 HydrophobicContact CG1-CD2 3.92Å; V156-L164 HydrophobicContact CG2-CD2 4.18Å; A158-L164 HydrophobicContact CB-CD2 3.63Å; A158-L164 HydrophobicContact CB-CG 4.1Å; E161-L164 WeakPolarHBondContact O-CB 3.48Å; E161-L164 PolarHBondContact O-N 3.05Å; T162-L164 VanDerWaalsContact C-N 3.29Å; L164-V168 HydrophobicContact CB-CG2 3.95Å; L164-V168 HydrophobicContact CD2-CG2 4.41Å; L164-R169 HydrophobicContact CB-CG 3.86Å; L164-R169 WeakPolarHBondContact O-CD 3.42Å; L164-L404 HydrophobicContact CD1-CB 4.12Å; L164-L404 HydrophobicContact CD2-CB 4.26Å; L164-E405 HydrophobicContact CD1-CB 4.22Å; L164-C408 HydrophobicContact CD1-CB 4.33Å
165P96.3Very high95.3Very high39 Ų3942.1 Ų42.125%0.25321%0.214SC..  trans-58.5142.8167.7-21.932.9000111.4T142 F143 D167 V168 R169T142-P165 HydrophobicContact CG2-CB 4.41Å; T142-P165 HydrophobicContact CG2-CG 3.3Å; F143-P165 HydrophobicContact CE1-CG 3.86Å; F143-P165 HydrophobicContact CZ-CG 3.92Å; P165-D167 PolarHBondContact O-N 2.95Å; P165-V168 VanDerWaalsContact O-CG2 3.26Å; P165-V168 WeakPolarHBondContact O-CG2 3.4Å; P165-V168 PolarHBondContact O-N 2.85Å; P165-R169 WeakPolarHBondContact O-CG 3.28Å
166Q95.4Very high95Very high24 Ų2444.4 Ų44.411%0.11223%0.23CC..G310 helixtrans-54.6-31.2-178.3-169.761.841.200113.5W103 I105 V168 R169W103-Q166 HydrophobicContact CB-CB 4.07Å; W103-Q166 HydrophobicContact CB-CG 3.95Å; W103-Q166 HydrophobicContact CD2-CG 3.76Å; W103-Q166 HydrophobicContact CG-CB 4.06Å; W103-Q166 HydrophobicContact CG-CG 3.47Å; W103-Q166 VanDerWaalsContact CG-CG 3.47Å; I105-Q166 HydrophobicContact CD1-CB 3.52Å; I105-Q166 HydrophobicContact CD1-CG 4.37Å; I105-Q166 HydrophobicContact CG1-CB 4.5Å; Q166-V168 PolarHBondContact O-N 3.37Å; Q166-V168 VanDerWaalsContact O-N 3.15Å; Q166-R169 PolarHBondContact O-N 3.04Å
167D95Very high94.7Very high56 Ų5646.4 Ų46.430%0.29924%0.241SC..G310 helixtrans-57.7-24.5178.1-72.1-13.6000114.2R102 W103 P165R102-D167 WeakPolarHBondContact CA-OD1 3.41Å; R102-D167 IonicContact CZ-OD2 3.13Å; R102-D167 IonicContact NE-OD2 3.98Å; R102-D167 PolarHBondContact NE-OD2 3.32Å; R102-D167 IonicContact NH2-OD2 3.8Å; W103-D167 WeakPolarHBondContact CB-OD1 3.33Å; W103-D167 PolarHBondContact N-OD1 3.38Å; P165-D167 PolarHBondContact O-N 2.95Å
168V96.5Very high94.4Very high19 Ų1944 Ų4412%0.11523%0.228CC..G310 helixtrans-113.82.8-178.7-600000113.2F143 L164 P165 Q166 L383 L404F143-V168 HydrophobicContact CE1-CG1 4.07Å; F143-V168 HydrophobicContact CE1-CG2 4.16Å; F143-V168 HydrophobicContact CZ-CG1 4.14Å; L164-V168 HydrophobicContact CB-CG2 3.95Å; L164-V168 HydrophobicContact CD2-CG2 4.41Å; P165-V168 VanDerWaalsContact O-CG2 3.26Å; P165-V168 WeakPolarHBondContact O-CG2 3.4Å; P165-V168 PolarHBondContact O-N 2.85Å; Q166-V168 PolarHBondContact O-N 3.37Å; Q166-V168 VanDerWaalsContact O-N 3.15Å; V168-L383 HydrophobicContact CG1-CD1 4.1Å; V168-L404 HydrophobicContact CB-CD1 4.33Å; V168-L404 HydrophobicContact CG1-CD1 4.37Å; V168-L404 HydrophobicContact CG2-CD1 4.17Å
169R96.7Very high93.9Very high38 Ų3847.5 Ų47.514%0.14324%0.242CC..SBendtrans-86.9158.5178-65-17867.4-171.26.7111.3E161 L164 P165 Q166 Y402 E405E161-R169 PolarHBondContact O-NE 2.7Å; L164-R169 HydrophobicContact CB-CG 3.86Å; L164-R169 WeakPolarHBondContact O-CD 3.42Å; P165-R169 WeakPolarHBondContact O-CG 3.28Å; Q166-R169 PolarHBondContact O-N 3.04Å; R169-Y402 WeakPolarHBondContact O-CD1 3.28Å; R169-Y402 WeakPolarHBondContact O-CE1 3.46Å; R169-E405 VanDerWaalsContact CA-OE2 3.29Å; R169-E405 WeakPolarHBondContact CA-OE2 3.42Å; R169-E405 WeakPolarHBondContact CB-OE2 3.19Å; R169-E405 VanDerWaalsContact CG-OE2 3.26Å; R169-E405 WeakPolarHBondContact CG-OE2 3.39Å; R169-E405 IonicContact NE-OE2 2.74Å
170F96Very high93.7Very high3 Ų343.8 Ų43.81%0.01323%0.228CC..PPolyproline II helixtrans-56.6141.2169.6-73.9-30.4000111.5K174 R175 F178 Y402 E405 I406 T669F170-K174 HydrophobicContact CB-CB 4.37Å; F170-K174 HydrophobicContact CB-CG 4.05Å; F170-K174 HydrophobicContact CD1-CG 3.64Å; F170-K174 HydrophobicContact CD2-CG 4.3Å; F170-K174 HydrophobicContact CE1-CG 4.09Å; F170-K174 HydrophobicContact CG-CG 3.76Å; F170-R175 HydrophobicContact CB-CB 4.09Å; F170-F178 HydrophobicContact CE2-CB 4.44Å; F170-F178 HydrophobicContact CE2-CD2 4.04Å; F170-F178 HydrophobicContact CE2-CG 4.16Å; F170-Y402 AromaticContact CD1-CD1 3.88Å; F170-Y402 HydrophobicContact CD1-CD1 3.88Å; F170-Y402 AromaticContact CD1-CD2 3.38Å; F170-Y402 HydrophobicContact CD1-CD2 3.38Å; F170-Y402 HydrophobicContact CD1-CE1 4.29Å; F170-Y402 AromaticContact CD1-CE2 3.74Å; F170-Y402 HydrophobicContact CD1-CE2 3.74Å; F170-Y402 AromaticContact CD1-CG 3.41Å; F170-Y402 HydrophobicContact CD1-CG 3.41Å; F170-Y402 VanDerWaalsContact CD1-CG 3.41Å; F170-Y402 VanDerWaalsContact CE1-CB 3.48Å; F170-Y402 AromaticContact CE1-CD2 3.58Å; F170-Y402 HydrophobicContact CE1-CD2 3.58Å; F170-Y402 HydrophobicContact CE1-CE2 4.31Å; F170-Y402 AromaticContact CE1-CG 3.65Å; F170-Y402 HydrophobicContact CE1-CG 3.65Å; F170-E405 HydrophobicContact CB-CG 4.19Å; F170-E405 HydrophobicContact CD1-CG 3.94Å; F170-E405 HydrophobicContact CD2-CG 3.63Å; F170-E405 HydrophobicContact CE1-CG 4.25Å; F170-E405 HydrophobicContact CE2-CG 3.94Å; F170-E405 HydrophobicContact CG-CG 3.62Å; F170-E405 HydrophobicContact CZ-CG 4.24Å; F170-I406 HydrophobicContact CE2-CD1 4.44Å; F170-I406 HydrophobicContact CZ-CB 4.11Å; F170-I406 HydrophobicContact CZ-CD1 4.1Å; F170-T669 WeakPolarHBondContact CE1-O 3.45Å; F170-T669 VanDerWaalsContact CZ-O 3.3Å; F170-T669 WeakPolarHBondContact CZ-O 3.49Å
171D93.3Very high93.3Very high28 Ų2843 Ų4315%0.1522%0.221CC..PPolyproline II helixtrans-62155.3165.2-706.2000109.3S13 E173 K174 R175 Y402S13-D171 WeakPolarHBondContact CB-OD2 3.33Å; S13-D171 PolarHBondContact OG-OD2 2.83Å; D171-E173 VanDerWaalsContact C-N 3.32Å; D171-E173 PolarHBondContact O-N 3.16Å; D171-K174 PolarHBondContact O-N 3.13Å; D171-K174 VanDerWaalsContact O-N 3.14Å; D171-R175 PolarHBondContact O-N 2.68Å; D171-Y402 VanDerWaalsContact CB-OH 3.29Å; D171-Y402 WeakPolarHBondContact CB-OH 3.33Å; D171-Y402 PolarHBondContact N-OH 2.8Å; D171-Y402 PolarHBondContact OD1-OH 3.4Å; D171-Y402 PolarHBondContact OD2-OH 3.13Å
172N90.1Very high92.8Very high22 Ų2243 Ų4312%0.11822%0.222CC..Hα-helixtrans-59.9-41.3-171-71.2-57000112.7E14 Y15 R175 S176E14-N172 HydrophobicContact CB-CB 4.29Å; E14-N172 PolarHBondContact O-ND2 2.88Å; Y15-N172 HydrophobicContact CD2-CB 4.2Å; Y15-N172 WeakPolarHBondContact CD2-ND2 3.3Å; N172-R175 PolarHBondContact O-N 2.78Å; N172-R175 PolarHBondContact OD1-NH2 3.47Å; N172-S176 WeakPolarHBondContact O-CB 3Å; N172-S176 PolarHBondContact O-N 2.85Å
173E91.6Very high92.3Very high64 Ų6444.3 Ų44.330%0.29922%0.222SC..Hα-helixtrans-62.9-45.7176.8-61.999.5137.800111.8E14 R47 D171 S176 D177E14-E173 HydrophobicContact CB-CG 4.09Å; E14-E173 WeakPolarHBondContact CB-OE1 3.43Å; E14-E173 WeakPolarHBondContact CB-OE2 3.43Å; E14-E173 PolarHBondContact N-OE1 3.21Å; E14-E173 PolarHBondContact N-OE2 2.91Å; R47-E173 IonicContact CZ-OE1 2.84Å; R47-E173 IonicContact NH1-OE1 3.94Å; R47-E173 IonicContact NH2-OE1 3.88Å; R47-E173 PolarHBondContact NH2-OE1 3.28Å; D171-E173 VanDerWaalsContact C-N 3.32Å; D171-E173 PolarHBondContact O-N 3.16Å; E173-S176 PolarHBondContact O-N 3.15Å; E173-D177 WeakPolarHBondContact O-CB 3.27Å; E173-D177 PolarHBondContact O-N 2.66Å
174K93.6Very high91.7Very high3 Ų344.3 Ų44.31%0.01322%0.215CC..Hα-helixtrans-63.5-42.3177.9172.455.3155.3155.40111.5F170 D171 F178 Y402 Q608 D610 T669F170-K174 HydrophobicContact CB-CB 4.37Å; F170-K174 HydrophobicContact CB-CG 4.05Å; F170-K174 HydrophobicContact CD1-CG 3.64Å; F170-K174 HydrophobicContact CD2-CG 4.3Å; F170-K174 HydrophobicContact CE1-CG 4.09Å; F170-K174 HydrophobicContact CG-CG 3.76Å; D171-K174 PolarHBondContact O-N 3.13Å; D171-K174 VanDerWaalsContact O-N 3.14Å; K174-F178 VanDerWaalsContact O-CB 3.31Å; K174-F178 WeakPolarHBondContact O-CB 3.06Å; K174-F178 PolarHBondContact O-N 2.74Å; K174-Y402 HydrophobicContact CG-CE2 4.05Å; K174-Q608 VanDerWaalsContact NZ-CD 3.32Å; K174-D610 VanDerWaalsContact CD-OD1 3.27Å; K174-D610 WeakPolarHBondContact CD-OD1 3.42Å; K174-D610 WeakPolarHBondContact CE-OD1 3.12Å; K174-T669 WeakPolarHBondContact CE-O 3.48Å; K174-T669 PolarHBondContact NZ-O 3.29Å
175R92.4Very high91Very high80 Ų8043.8 Ų43.830%0.30221%0.213SC..Hα-helixtrans-60.2-48.6173.8179.5-176.566.9-164.8-7.5111.3F170 D171 N172 F178 E179F170-R175 HydrophobicContact CB-CB 4.09Å; D171-R175 PolarHBondContact O-N 2.68Å; N172-R175 PolarHBondContact O-N 2.78Å; N172-R175 PolarHBondContact OD1-NH2 3.47Å; R175-F178 PolarHBondContact O-N 3.03Å; R175-E179 WeakPolarHBondContact CG-OE1 3.4Å; R175-E179 WeakPolarHBondContact O-CG 3.46Å; R175-E179 PolarHBondContact O-N 3.05Å
176S91.8Very high90.3Very high52 Ų5244.7 Ų44.736%0.36422%0.215SC..Hα-helixtrans-60.8-47.4-179.9-1760000111.1N172 E173 F178 E179 H180N172-S176 WeakPolarHBondContact O-CB 3Å; N172-S176 PolarHBondContact O-N 2.85Å; E173-S176 PolarHBondContact O-N 3.15Å; S176-F178 PolarHBondContact O-N 2.93Å; S176-E179 PolarHBondContact O-N 3.4Å; S176-H180 WeakPolarHBondContact O-CB 3.32Å; S176-H180 PolarHBondContact O-CD2 3.45Å; S176-H180 PolarHBondContact O-N 2.7Å; S176-H180 PolarHBondContact OG-CD2 3.19Å
177D92.9Very high89.6Confident47 Ų4749.6 Ų49.625%0.25124%0.242SC..Hα-helixtrans-60.9-43175.7176.267.5000112.2E173 E179 S181 R606 P609E173-D177 WeakPolarHBondContact O-CB 3.27Å; E173-D177 PolarHBondContact O-N 2.66Å; D177-E179 PolarHBondContact O-N 3.35Å; D177-S181 WeakPolarHBondContact O-CB 3.32Å; D177-S181 PolarHBondContact O-N 2.93Å; D177-S181 PolarHBondContact O-OG 3.31Å; D177-R606 IonicContact OD1-NH1 2.65Å; D177-R606 PolarHBondContact OD1-NH1 2.91Å; D177-R606 IonicContact OD1-NH2 2.82Å; D177-R606 IonicContact OD2-CZ 4Å; D177-R606 IonicContact OD2-NH1 2.76Å; D177-R606 PolarHBondContact OD2-NH1 3.13Å; D177-R606 IonicContact OD2-NH2 2.76Å; D177-R606 PolarHBondContact OD2-NH2 3.35Å; D177-P609 HydrophobicContact CB-CG 4.18Å; D177-P609 VanDerWaalsContact OD2-CD 3.24Å; D177-P609 WeakPolarHBondContact OD2-CD 3.39Å; D177-P609 WeakPolarHBondContact OD2-CG 3.41Å
178F91.6Very high88.9Confident10 Ų1048.8 Ų48.84%0.04424%0.236CC..Hα-helixtrans-58.8-49.7176-174.9-84.3000111.5F170 K174 R175 S176 H180 S181 I406 H603 I670F170-F178 HydrophobicContact CE2-CB 4.44Å; F170-F178 HydrophobicContact CE2-CD2 4.04Å; F170-F178 HydrophobicContact CE2-CG 4.16Å; K174-F178 VanDerWaalsContact O-CB 3.31Å; K174-F178 WeakPolarHBondContact O-CB 3.06Å; K174-F178 PolarHBondContact O-N 2.74Å; R175-F178 PolarHBondContact O-N 3.03Å; S176-F178 PolarHBondContact O-N 2.93Å; F178-H180 PolarHBondContact O-N 3.44Å; F178-S181 PolarHBondContact O-OG 3.32Å; F178-S181 VanDerWaalsContact O-OG 3.13Å; F178-I406 HydrophobicContact CD2-CD1 4.45Å; F178-I406 HydrophobicContact CE2-CD1 3.53Å; F178-I406 HydrophobicContact CZ-CD1 3.86Å; F178-H603 AromaticContact CD2-CE1 3.8Å; F178-H603 AromaticContact CD2-NE2 3.69Å; F178-H603 AromaticContact CE1-NE2 3.9Å; F178-H603 AromaticContact CE2-CE1 3.89Å; F178-H603 AromaticContact CE2-NE2 3.3Å; F178-H603 VanDerWaalsContact CE2-NE2 3.3Å; F178-H603 WeakPolarHBondContact CE2-NE2 3.39Å; F178-H603 AromaticContact CZ-NE2 3.41Å; F178-H603 WeakPolarHBondContact CZ-NE2 3.41Å; F178-H603 PolarHBondContact O-CE1 3.27Å; F178-I670 HydrophobicContact CD2-CD1 3.68Å; F178-I670 HydrophobicContact CE2-CD1 3.53Å
179E88.3Confident87.8Confident82 Ų8247.9 Ų47.938%0.38323%0.23SC..Hα-helixtrans-67.4-38.4-177.5-72.2169.8-172.500112.8R175 S176 D177 Q183 R409R175-E179 WeakPolarHBondContact CG-OE1 3.4Å; R175-E179 WeakPolarHBondContact O-CG 3.46Å; R175-E179 PolarHBondContact O-N 3.05Å; S176-E179 PolarHBondContact O-N 3.4Å; D177-E179 PolarHBondContact O-N 3.35Å; E179-Q183 WeakPolarHBondContact O-CG 3.25Å; E179-R409 IonicContact OE1-NH1 3.83Å; E179-R409 PolarHBondContact OE1-NH1 3.48Å; E179-R409 IonicContact OE1-NH2 3.55Å
180H88Confident86.4Confident108 Ų10847.5 Ų47.550%0.523%0.234SC..Hα-helixtrans-81.8-32.6-178.7-70.4-56.2000113.7S176 F178 L182 Q183 Y184S176-H180 WeakPolarHBondContact O-CB 3.32Å; S176-H180 PolarHBondContact O-CD2 3.45Å; S176-H180 PolarHBondContact O-N 2.7Å; S176-H180 PolarHBondContact OG-CD2 3.19Å; F178-H180 PolarHBondContact O-N 3.44Å; H180-L182 PolarHBondContact O-N 3.16Å; H180-Q183 PolarHBondContact O-N 3.43Å; H180-Y184 VanDerWaalsContact O-CB 3.29Å; H180-Y184 WeakPolarHBondContact O-CB 3.41Å; H180-Y184 PolarHBondContact O-N 3.14Å
181S86.8Confident84.7Confident8 Ų850.6 Ų50.66%0.05625%0.25CS..Hα-helixtrans-65.4-39.3-176.258.10000113D177 F178 Y184 A185 H603 R606D177-S181 WeakPolarHBondContact O-CB 3.32Å; D177-S181 PolarHBondContact O-N 2.93Å; D177-S181 PolarHBondContact O-OG 3.31Å; F178-S181 PolarHBondContact O-OG 3.32Å; F178-S181 VanDerWaalsContact O-OG 3.13Å; S181-Y184 PolarHBondContact O-N 2.99Å; S181-A185 WeakPolarHBondContact O-CB 3.36Å; S181-A185 PolarHBondContact O-N 3.34Å; S181-H603 PolarHBondContact OG-CE1 3.48Å; S181-H603 PolarHBondContact OG-ND1 3.27Å; S181-R606 PolarHBondContact OG-NH2 3.03Å
182L84.1Confident83Confident32 Ų3258.7 Ų58.717%0.16828%0.284CS..Hα-helixtrans-66.7-42.1175.3-179.760.2000111.6H180 Y184 A185 L186 I420 A599 I600 H603H180-L182 PolarHBondContact O-N 3.16Å; L182-Y184 VanDerWaalsContact C-N 3.35Å; L182-A185 PolarHBondContact O-N 3Å; L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.49Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.88Å; L182-I420 HydrophobicContact CD2-CD1 4.41Å; L182-A599 HydrophobicContact CD1-CB 4.5Å; L182-I600 HydrophobicContact CD1-CD1 4.31Å; L182-H603 HydrophobicContact CD1-CB 4.03Å
183Q83.8Confident81.5Confident114 Ų11466.1 Ų66.153%0.53332%0.315SS..Hα-helixtrans-62.7-44.2176-67178.15.600111.1E179 H180 L186 L187E179-Q183 WeakPolarHBondContact O-CG 3.25Å; H180-Q183 PolarHBondContact O-N 3.43Å; Q183-L186 PolarHBondContact O-N 2.71Å; Q183-L187 WeakPolarHBondContact O-CB 3.49Å; Q183-L187 VanDerWaalsContact O-CG 3.25Å; Q183-L187 WeakPolarHBondContact O-CG 3.44Å; Q183-L187 PolarHBondContact O-N 3.43Å
184Y84.6Confident80.2Confident91 Ų9163.8 Ų63.836%0.35731%0.305SS..Hα-helixtrans-56.5-53.2174171.7-98.4000110.9H180 S181 L182 L186 L187 E188 K214 W602H180-Y184 VanDerWaalsContact O-CB 3.29Å; H180-Y184 WeakPolarHBondContact O-CB 3.41Å; H180-Y184 PolarHBondContact O-N 3.14Å; S181-Y184 PolarHBondContact O-N 2.99Å; L182-Y184 VanDerWaalsContact C-N 3.35Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 2.99Å; Y184-L187 PolarHBondContact O-N 3.34Å; Y184-L187 VanDerWaalsContact O-N 3.11Å; Y184-E188 HydrophobicContact CD1-CG 4.3Å; Y184-E188 HydrophobicContact CD2-CG 4.03Å; Y184-E188 HydrophobicContact CE1-CG 3.93Å; Y184-E188 HydrophobicContact CE2-CG 3.63Å; Y184-E188 WeakPolarHBondContact CE2-OE1 3.24Å; Y184-E188 HydrophobicContact CG-CG 4.35Å; Y184-E188 VanDerWaalsContact O-CG 3.31Å; Y184-E188 WeakPolarHBondContact O-CG 3.46Å; Y184-E188 PolarHBondContact O-N 3.34Å; Y184-K214 WeakPolarHBondContact OH-CE 3.44Å; Y184-K214 PolarHBondContact OH-NZ 3.05Å; Y184-W602 HydrophobicContact CD1-CH2 4.17Å; Y184-W602 HydrophobicContact CD1-CZ3 4.42Å; Y184-W602 HydrophobicContact CE1-CH2 4.42Å
185A82.7Confident78.8Confident0 Ų065.9 Ų65.90%032%0.322CS..Hα-helixtrans-56.8-46.7178.700000111.8S181 L182 L187 E188 L189 L215 A599 W602S181-A185 WeakPolarHBondContact O-CB 3.36Å; S181-A185 PolarHBondContact O-N 3.34Å; L182-A185 PolarHBondContact O-N 3Å; A185-L187 PolarHBondContact O-N 3.36Å; A185-E188 PolarHBondContact O-N 2.9Å; A185-L189 WeakPolarHBondContact O-CB 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.3Å; A185-L189 PolarHBondContact O-N 2.75Å; A185-L215 HydrophobicContact CB-CD1 4.33Å; A185-A599 HydrophobicContact CB-CB 4.02Å; A185-W602 HydrophobicContact CB-CD2 4.46Å; A185-W602 HydrophobicContact CB-CE3 3.61Å; A185-W602 HydrophobicContact CB-CZ3 3.97Å
186L82Confident77.4Confident58 Ų5868.4 Ų68.430%0.30434%0.341SS..Hα-helixtrans-60.5-42.8176.5-73.8169.6000112.3L182 Q183 Y184 L189 S190 V596 A599L182-L186 HydrophobicContact CD1-CD1 4.44Å; L182-L186 HydrophobicContact CD1-CG 4.49Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CG 3.25Å; L182-L186 PolarHBondContact O-N 2.88Å; Q183-L186 PolarHBondContact O-N 2.71Å; Y184-L186 VanDerWaalsContact C-N 3.33Å; Y184-L186 PolarHBondContact O-N 2.99Å; L186-L189 PolarHBondContact O-N 3.17Å; L186-S190 WeakPolarHBondContact O-CB 3.08Å; L186-S190 PolarHBondContact O-N 3.24Å; L186-S190 PolarHBondContact O-OG 2.96Å; L186-V596 HydrophobicContact CD2-CG2 4.17Å; L186-A599 HydrophobicContact CD2-CB 3.63Å; L186-A599 HydrophobicContact CG-CB 3.93Å
187L80.8Confident76.3Confident127 Ų12767.7 Ų67.767%0.66533%0.334SS*.Hα-helixtrans-64.4-44.4178.8-75.2168.6000112.1Q183 Y184 A185 L189 S190Q183-L187 WeakPolarHBondContact O-CB 3.49Å; Q183-L187 VanDerWaalsContact O-CG 3.25Å; Q183-L187 WeakPolarHBondContact O-CG 3.44Å; Q183-L187 PolarHBondContact O-N 3.43Å; Y184-L187 PolarHBondContact O-N 3.34Å; Y184-L187 VanDerWaalsContact O-N 3.11Å; A185-L187 PolarHBondContact O-N 3.36Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.26Å; L187-S190 PolarHBondContact O-N 3.03Å
188E80.3Confident75.6Confident38 Ų3869.6 Ų69.618%0.17834%0.34CS..Hα-helixtrans-65.7-38178.7-65-59.6163.400111.7Y184 A185 W213 K214Y184-E188 HydrophobicContact CD1-CG 4.3Å; Y184-E188 HydrophobicContact CD2-CG 4.03Å; Y184-E188 HydrophobicContact CE1-CG 3.93Å; Y184-E188 HydrophobicContact CE2-CG 3.63Å; Y184-E188 WeakPolarHBondContact CE2-OE1 3.24Å; Y184-E188 HydrophobicContact CG-CG 4.35Å; Y184-E188 VanDerWaalsContact O-CG 3.31Å; Y184-E188 WeakPolarHBondContact O-CG 3.46Å; Y184-E188 PolarHBondContact O-N 3.34Å; A185-E188 PolarHBondContact O-N 2.9Å; E188-W213 HydrophobicContact CB-CZ2 4.34Å; E188-W213 VanDerWaalsContact O-CE2 3.3Å; E188-W213 WeakPolarHBondContact O-CZ2 3.4Å; E188-W213 PolarHBondContact O-NE1 2.84Å; E188-W213 WeakPolarHBondContact OE2-CH2 3.32Å; E188-W213 VanDerWaalsContact OE2-CZ2 3.29Å; E188-W213 WeakPolarHBondContact OE2-CZ2 3.44Å; E188-K214 HydrophobicContact CB-CD 4.25Å; E188-K214 VanDerWaalsContact CD-CD 3.48Å; E188-K214 HydrophobicContact CG-CD 3.89Å; E188-K214 IonicContact OE1-NZ 3.01Å; E188-K214 PolarHBondContact OE1-NZ 2.9Å; E188-K214 WeakPolarHBondContact OE2-CD 3.32Å; E188-K214 WeakPolarHBondContact OE2-CE 3.31Å; E188-K214 IonicContact OE2-NZ 3.73Å; E188-K214 PolarHBondContact OE2-NZ 3.29Å
189L73.6Confident74.7Confident0 Ų070.4 Ų70.40%035%0.352CS..Hα-helixtrans-81.2-20.6179-61-175.7000113.5A185 L186 L187 L191 I211 L215 C595 M598 A599A185-L189 WeakPolarHBondContact O-CB 3.24Å; A185-L189 WeakPolarHBondContact O-CG 3.3Å; A185-L189 PolarHBondContact O-N 2.75Å; L186-L189 PolarHBondContact O-N 3.17Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-L189 PolarHBondContact O-N 3.26Å; L189-L191 PolarHBondContact O-N 3.07Å; L189-I211 VanDerWaalsContact CD2-O 3.27Å; L189-I211 WeakPolarHBondContact CD2-O 3.41Å; L189-L215 HydrophobicContact CD1-CD1 4.06Å; L189-L215 HydrophobicContact CD2-CD1 4.02Å; L189-L215 HydrophobicContact CD2-CG 4.29Å; L189-L215 HydrophobicContact CG-CD1 4.07Å; L189-C595 HydrophobicContact CB-CB 4.46Å; L189-C595 PolarHBondContact O-SG 3.3Å; L189-M598 HydrophobicContact CD1-CB 3.9Å; L189-M598 HydrophobicContact CD1-CE 3.49Å; L189-M598 VanDerWaalsContact CD1-CE 3.49Å; L189-M598 HydrophobicContact CD1-CG 4.03Å; L189-M598 HydrophobicContact CD2-CE 3.16Å; L189-M598 HydrophobicContact CG-CE 3.88Å; L189-A599 HydrophobicContact CD1-CB 3.97Å
190S65.4Low74.6Confident31 Ų3172.6 Ų72.622%0.21736%0.36CS..SBendtrans-98.645-179.4-52.50000112.2L186 L187 K192L186-S190 WeakPolarHBondContact O-CB 3.08Å; L186-S190 PolarHBondContact O-N 3.24Å; L186-S190 PolarHBondContact O-OG 2.96Å; L187-S190 PolarHBondContact O-N 3.03Å; S190-K192 PolarHBondContact O-N 3.43Å
191L62.3Low74.6Confident68 Ų6869.9 Ų69.936%0.35635%0.353SS..  trans-36.7136.9171.6-70.6173.9000110.3L189 K193 L194 A195 W213L189-L191 PolarHBondContact O-N 3.07Å; L191-K193 PolarHBondContact O-N 3.43Å; L191-L194 HydrophobicContact CB-CD1 4.36Å; L191-L194 HydrophobicContact CB-CG 4.42Å; L191-L194 HydrophobicContact CD1-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CA 3.39Å; L191-L194 PolarHBondContact O-N 2.95Å; L191-A195 PolarHBondContact O-N 2.95Å; L191-W213 HydrophobicContact CD1-CD2 4.49Å; L191-W213 HydrophobicContact CD1-CG 4.35Å; L191-W213 HydrophobicContact CD2-CH2 4.23Å; L191-W213 HydrophobicContact CD2-CZ2 3.55Å; L191-W213 HydrophobicContact CG-CZ2 4.23Å
192K57.2Low74.7Confident198 Ų19870.1 Ų70.186%0.86135%0.353SS*.Hα-helixtrans-47.7-30.5-176.7-76.5-175.3177.3179.50114S190S190-K192 PolarHBondContact O-N 3.43Å
193K58.5Low74.9Confident178 Ų17873.2 Ų73.277%0.77438%0.377SS*.Hα-helixtrans-75.7-25.2176.7-67.6-175.3179-179.90114.8L191 I196L191-K193 PolarHBondContact O-N 3.43Å; K193-I196 WeakPolarHBondContact O-CG1 3.47Å
194L63.7Low75.2Confident15 Ų1570.8 Ų70.88%0.07937%0.368CS..Hα-helixtrans-87.7-30.4175.8-67.8175.4000111.9L191 I196 T197 F198 W202 I211 V591L191-L194 HydrophobicContact CB-CD1 4.36Å; L191-L194 HydrophobicContact CB-CG 4.42Å; L191-L194 HydrophobicContact CD1-CD1 4.42Å; L191-L194 WeakPolarHBondContact O-CA 3.39Å; L191-L194 PolarHBondContact O-N 2.95Å; L194-I196 PolarHBondContact O-N 2.79Å; L194-T197 WeakPolarHBondContact CA-OG1 3.28Å; L194-T197 CarbonylContact O-C 3.58Å; L194-T197 WeakPolarHBondContact O-CA 3.4Å; L194-T197 PolarHBondContact O-N 3.22Å; L194-T197 PolarHBondContact O-OG1 2.87Å; L194-F198 WeakPolarHBondContact O-CD1 3.45Å; L194-F198 PolarHBondContact O-N 2.82Å; L194-W202 HydrophobicContact CD2-CH2 4.25Å; L194-W202 HydrophobicContact CD2-CZ3 4.24Å; L194-I211 HydrophobicContact CD1-CG2 3.69Å; L194-V591 HydrophobicContact CB-CG1 4.41Å; L194-V591 HydrophobicContact CD2-CG1 4.35Å
195A63.6Low75.4Confident46 Ų4667 Ų6738%0.3835%0.354SS..Hα-helixtrans-57.2-36.9175.800000112.6L191 T197 F198L191-A195 PolarHBondContact O-N 2.95Å; A195-T197 PolarHBondContact O-N 2.56Å; A195-F198 WeakPolarHBondContact O-CB 3.43Å; A195-F198 PolarHBondContact O-N 3.07Å
196I63.7Low75.6Confident134 Ų13471.8 Ų71.869%0.68738%0.379SS*.THydrogen-bonded Turntrans-70.5-11.7174.659.2165.1000114K193 L194K193-I196 WeakPolarHBondContact O-CG1 3.47Å; L194-I196 PolarHBondContact O-N 2.79Å
197T69.6Low75.7Confident37 Ų3769.4 Ų69.423%0.22737%0.367CS..THydrogen-bonded Turntrans-104.13.4177.1550000113.3L194 A195 G199 K200L194-T197 WeakPolarHBondContact CA-OG1 3.28Å; L194-T197 CarbonylContact O-C 3.58Å; L194-T197 WeakPolarHBondContact O-CA 3.4Å; L194-T197 PolarHBondContact O-N 3.22Å; L194-T197 PolarHBondContact O-OG1 2.87Å; A195-T197 PolarHBondContact O-N 2.56Å; T197-G199 PolarHBondContact O-N 2.97Å; T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.48Å; T197-K200 PolarHBondContact O-N 3.15Å
198F76.8Confident75.9Confident86 Ų8663.4 Ų63.438%0.37734%0.335SS..THydrogen-bonded Turntrans-59.8132178.1-76.13.1000111.8L194 A195 V591L194-F198 WeakPolarHBondContact O-CD1 3.45Å; L194-F198 PolarHBondContact O-N 2.82Å; A195-F198 WeakPolarHBondContact O-CB 3.43Å; A195-F198 PolarHBondContact O-N 3.07Å; F198-V591 HydrophobicContact CD1-CG1 4.04Å; F198-V591 HydrophobicContact CE1-CG1 4.15Å
199G73.6Confident76.1Confident28 Ų2865.6 Ų65.629%0.28934%0.344SS..THydrogen-bonded Turntrans86.4-0.1-173.100000115.1T197T197-G199 PolarHBondContact O-N 2.97Å
200K84.8Confident76.4Confident128 Ų12872.7 Ų72.756%0.55737%0.371SS*.SBendtrans-100.3150172-57-176.6179.8177.20110.9T197 D590 V591T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.48Å; T197-K200 PolarHBondContact O-N 3.15Å; K200-D590 WeakPolarHBondContact O-CB 3.48Å; K200-V591 WeakPolarHBondContact O-CG2 3.28Å; K200-V591 PolarHBondContact O-N 3.37Å; K200-V591 VanDerWaalsContact O-N 3.13Å
201S88.3Confident76.9Confident50 Ų5071.2 Ų71.235%0.3536%0.361SS..PPolyproline II helixtrans-67.2154.4168.8-56.40000110.8R569S201-R569 PolarHBondContact OG-NH1 2.9Å; S201-R569 PolarHBondContact OG-NH2 3.29Å
202W90.2Very high77.5Confident13 Ų1368.8 Ų68.85%0.04935%0.348CS..PPolyproline II helixtrans-64.7151.8161-62.1103.6000110.4L194 D207 F208 I211 M585 V591 S594L194-W202 HydrophobicContact CD2-CH2 4.25Å; L194-W202 HydrophobicContact CD2-CZ3 4.24Å; W202-D207 HydrophobicContact CD2-CB 4.46Å; W202-D207 HydrophobicContact CE3-CB 3.6Å; W202-D207 HydrophobicContact CZ3-CB 4.18Å; W202-D207 WeakPolarHBondContact CZ3-O 3.47Å; W202-F208 HydrophobicContact CB-CD2 4.44Å; W202-F208 HydrophobicContact CB-CE2 4.02Å; W202-F208 HydrophobicContact CB-CZ 4.42Å; W202-F208 AromaticContact CD1-CE1 3.42Å; W202-F208 VanDerWaalsContact CD1-CE1 3.42Å; W202-F208 AromaticContact CD1-CE2 3.6Å; W202-F208 AromaticContact CD1-CZ 3.14Å; W202-F208 AromaticContact CE2-CD1 4Å; W202-F208 AromaticContact CE2-CE1 3.97Å; W202-F208 HydrophobicContact CG-CD2 4.19Å; W202-F208 HydrophobicContact CG-CE1 4.21Å; W202-F208 AromaticContact CG-CE2 3.83Å; W202-F208 HydrophobicContact CG-CE2 3.83Å; W202-F208 AromaticContact CG-CZ 3.85Å; W202-F208 HydrophobicContact CG-CZ 3.85Å; W202-F208 HydrophobicContact CZ2-CD1 4.48Å; W202-F208 AromaticContact NE1-CD1 3.71Å; W202-F208 AromaticContact NE1-CE1 3.21Å; W202-F208 AromaticContact NE1-CZ 3.52Å; W202-I211 HydrophobicContact CH2-CG2 3.76Å; W202-I211 HydrophobicContact CZ2-CD1 4.47Å; W202-I211 HydrophobicContact CZ2-CG2 4.15Å; W202-M585 HydrophobicContact CB-CE 3.32Å; W202-M585 HydrophobicContact CG-CE 4.46Å; W202-V591 HydrophobicContact CD2-CG2 3.74Å; W202-V591 HydrophobicContact CE3-CG2 3.91Å; W202-V591 HydrophobicContact CG-CG2 4.29Å; W202-V591 HydrophobicContact CH2-CB 4.45Å; W202-V591 HydrophobicContact CH2-CG1 3.92Å; W202-V591 HydrophobicContact CH2-CG2 4.13Å; W202-V591 HydrophobicContact CZ2-CB 4.07Å; W202-V591 HydrophobicContact CZ2-CG1 3.87Å; W202-V591 HydrophobicContact CZ2-CG2 3.94Å; W202-V591 HydrophobicContact CZ3-CG2 4.12Å; W202-S594 PolarHBondContact NE1-OG 3.33Å
203S86.5Confident78.3Confident98 Ų9865 Ų6569%0.68533%0.328SS*.SBendtrans-86.5-37.1-176.8-38.70000111.5D207S203-D207 VanDerWaalsContact CB-OD2 3.25Å; S203-D207 WeakPolarHBondContact CB-OD2 3.31Å; S203-D207 PolarHBondContact N-OD2 2.91Å; S203-D207 PolarHBondContact OG-OD2 2.9Å
204D90.2Very high79.3Confident62 Ų6260.5 Ų60.533%0.33231%0.308SS..SBendtrans-146.6170.4178.763.967.8000111.3D206 D207 M585D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.33Å; D204-D206 VanDerWaalsContact OD1-CA 3.28Å; D204-D206 WeakPolarHBondContact OD1-CA 3.48Å; D204-D206 WeakPolarHBondContact OD1-CB 3.24Å; D204-D206 PolarHBondContact OD1-N 3.05Å; D204-D207 WeakPolarHBondContact O-CB 3.34Å; D204-D207 PolarHBondContact O-N 2.83Å; D204-D207 PolarHBondContact OD1-N 3.22Å; D204-M585 WeakPolarHBondContact O-CE 3.24Å
205L88.8Confident80.1Confident13 Ų1360.2 Ų60.27%0.06831%0.307CS..SBendtrans-67.1-31.3-179.4-70.3166.8000112.7D207 F208 W227 M352 W560 P562 M581 I584 M585 L588L205-D207 VanDerWaalsContact C-N 3.27Å; L205-D207 PolarHBondContact O-N 2.95Å; L205-F208 PolarHBondContact O-N 2.75Å; L205-W227 HydrophobicContact CD1-CH2 4.14Å; L205-W227 HydrophobicContact CD1-CZ2 3.98Å; L205-W227 HydrophobicContact CD2-CH2 4.01Å; L205-W227 HydrophobicContact CD2-CZ2 4.09Å; L205-M352 HydrophobicContact CD2-CE 4.25Å; L205-W560 VanDerWaalsContact O-CH2 3.26Å; L205-W560 WeakPolarHBondContact O-CH2 3.45Å; L205-P562 HydrophobicContact CD2-CB 4.29Å; L205-P562 HydrophobicContact CD2-CG 4.15Å; L205-M581 HydrophobicContact CD1-CE 3.64Å; L205-M581 HydrophobicContact CD1-SD 3.75Å; L205-M581 HydrophobicContact CG-CE 4.43Å; L205-M581 HydrophobicContact CG-SD 3.93Å; L205-I584 HydrophobicContact CD2-CG2 4.47Å; L205-M585 HydrophobicContact CD2-SD 3.91Å; L205-M585 HydrophobicContact CG-SD 3.97Å; L205-L588 HydrophobicContact CD2-CD1 3.98Å
206D86.8Confident81.1Confident99 Ų9965.8 Ų65.853%0.52932%0.318SS..G310 helixtrans-72.8-21.9179.2-75.1-39.4000111.9D204 F208 K209D204-D206 VanDerWaalsContact C-N 3.32Å; D204-D206 PolarHBondContact O-N 3.33Å; D204-D206 VanDerWaalsContact OD1-CA 3.28Å; D204-D206 WeakPolarHBondContact OD1-CA 3.48Å; D204-D206 WeakPolarHBondContact OD1-CB 3.24Å; D204-D206 PolarHBondContact OD1-N 3.05Å; D206-F208 PolarHBondContact O-N 2.68Å; D206-K209 HydrophobicContact CB-CD 4.39Å; D206-K209 WeakPolarHBondContact O-CB 3.41Å; D206-K209 VanDerWaalsContact O-CG 3.26Å; D206-K209 WeakPolarHBondContact O-CG 3.31Å; D206-K209 PolarHBondContact O-N 3.49Å; D206-K209 VanDerWaalsContact OD1-CE 3.29Å; D206-K209 WeakPolarHBondContact OD1-CE 3.39Å; D206-K209 IonicContact OD1-NZ 2.88Å; D206-K209 PolarHBondContact OD1-NZ 3.36Å
207D85.2Confident82.4Confident9 Ų959.8 Ų59.85%0.04829%0.288CS..G310 helixtrans-60.9-27.9174.3-79.3-23.3000112.8W202 S203 D204 L205 K209 R210W202-D207 HydrophobicContact CD2-CB 4.46Å; W202-D207 HydrophobicContact CE3-CB 3.6Å; W202-D207 HydrophobicContact CZ3-CB 4.18Å; W202-D207 WeakPolarHBondContact CZ3-O 3.47Å; S203-D207 VanDerWaalsContact CB-OD2 3.25Å; S203-D207 WeakPolarHBondContact CB-OD2 3.31Å; S203-D207 PolarHBondContact N-OD2 2.91Å; S203-D207 PolarHBondContact OG-OD2 2.9Å; D204-D207 WeakPolarHBondContact O-CB 3.34Å; D204-D207 PolarHBondContact O-N 2.83Å; D204-D207 PolarHBondContact OD1-N 3.22Å; L205-D207 VanDerWaalsContact C-N 3.27Å; L205-D207 PolarHBondContact O-N 2.95Å; D207-K209 PolarHBondContact O-N 2.83Å; D207-R210 VanDerWaalsContact O-CB 3.23Å; D207-R210 WeakPolarHBondContact O-CB 3.31Å; D207-R210 VanDerWaalsContact O-CG 3.24Å; D207-R210 WeakPolarHBondContact O-CG 3.42Å; D207-R210 PolarHBondContact O-N 3Å; D207-R210 IonicContact OD1-CZ 3.39Å; D207-R210 IonicContact OD1-NE 2.71Å; D207-R210 PolarHBondContact OD1-NE 3.4Å; D207-R210 IonicContact OD1-NH2 3.46Å; D207-R210 PolarHBondContact OD1-NH2 3.48Å
208F84.6Confident83.5Confident0 Ų063.3 Ų63.30%031%0.312CS..G310 helixtrans-60.6-24.6172.6-77.5-89.3000112.1W202 L205 D206 R210 I211 F212 W560 V561 P562 M585 L588 S594W202-F208 HydrophobicContact CB-CD2 4.44Å; W202-F208 HydrophobicContact CB-CE2 4.02Å; W202-F208 HydrophobicContact CB-CZ 4.42Å; W202-F208 AromaticContact CD1-CE1 3.42Å; W202-F208 VanDerWaalsContact CD1-CE1 3.42Å; W202-F208 AromaticContact CD1-CE2 3.6Å; W202-F208 AromaticContact CD1-CZ 3.14Å; W202-F208 AromaticContact CE2-CD1 4Å; W202-F208 AromaticContact CE2-CE1 3.97Å; W202-F208 HydrophobicContact CG-CD2 4.19Å; W202-F208 HydrophobicContact CG-CE1 4.21Å; W202-F208 AromaticContact CG-CE2 3.83Å; W202-F208 HydrophobicContact CG-CE2 3.83Å; W202-F208 AromaticContact CG-CZ 3.85Å; W202-F208 HydrophobicContact CG-CZ 3.85Å; W202-F208 HydrophobicContact CZ2-CD1 4.48Å; W202-F208 AromaticContact NE1-CD1 3.71Å; W202-F208 AromaticContact NE1-CE1 3.21Å; W202-F208 AromaticContact NE1-CZ 3.52Å; L205-F208 PolarHBondContact O-N 2.75Å; D206-F208 PolarHBondContact O-N 2.68Å; F208-R210 PolarHBondContact O-N 3.42Å; F208-R210 VanDerWaalsContact O-N 3.16Å; F208-I211 WeakPolarHBondContact O-CG1 3.39Å; F208-I211 PolarHBondContact O-N 3.09Å; F208-F212 WeakPolarHBondContact O-CD2 3.46Å; F208-W560 HydrophobicContact CB-CE3 4.26Å; F208-W560 HydrophobicContact CB-CH2 3.75Å; F208-W560 HydrophobicContact CB-CZ3 3.57Å; F208-V561 HydrophobicContact CD1-CB 3.82Å; F208-V561 HydrophobicContact CD1-CG1 4.46Å; F208-V561 HydrophobicContact CD1-CG2 4.3Å; F208-V561 HydrophobicContact CE1-CB 3.59Å; F208-V561 HydrophobicContact CE1-CG1 3.72Å; F208-V561 HydrophobicContact CE1-CG2 4.26Å; F208-V561 HydrophobicContact CZ-CG1 4.43Å; F208-P562 HydrophobicContact CD1-CG 4.34Å; F208-P562 HydrophobicContact CD2-CG 3.83Å; F208-P562 HydrophobicContact CE1-CG 4.44Å; F208-P562 HydrophobicContact CE2-CG 3.93Å; F208-P562 HydrophobicContact CG-CG 4.03Å; F208-P562 HydrophobicContact CZ-CG 4.23Å; F208-M585 HydrophobicContact CD2-CE 4.45Å; F208-M585 HydrophobicContact CE2-CE 3.79Å; F208-L588 HydrophobicContact CE2-CD1 4.03Å; F208-L588 HydrophobicContact CZ-CB 4.28Å; F208-L588 HydrophobicContact CZ-CD1 4.15Å; F208-S594 WeakPolarHBondContact CE1-OG 3.37Å
209K84.3Confident84.4Confident85 Ų8560.5 Ų60.537%0.3730%0.3SS..G310 helixtrans-63-22.3175.3-58.6179.3167.3160.70112.3D206 D207 I211 F212 M224 W560D206-K209 HydrophobicContact CB-CD 4.39Å; D206-K209 WeakPolarHBondContact O-CB 3.41Å; D206-K209 VanDerWaalsContact O-CG 3.26Å; D206-K209 WeakPolarHBondContact O-CG 3.31Å; D206-K209 PolarHBondContact O-N 3.49Å; D206-K209 VanDerWaalsContact OD1-CE 3.29Å; D206-K209 WeakPolarHBondContact OD1-CE 3.39Å; D206-K209 IonicContact OD1-NZ 2.88Å; D206-K209 PolarHBondContact OD1-NZ 3.36Å; D207-K209 PolarHBondContact O-N 2.83Å; K209-I211 PolarHBondContact O-N 3.06Å; K209-F212 WeakPolarHBondContact O-CB 3.25Å; K209-F212 PolarHBondContact O-N 3.28Å; K209-F212 VanDerWaalsContact O-N 3.09Å; K209-M224 HydrophobicContact CB-SD 4.45Å; K209-M224 HydrophobicContact CD-SD 4.03Å; K209-M224 HydrophobicContact CG-CG 4.41Å; K209-M224 HydrophobicContact CG-SD 3.67Å; K209-W560 HydrophobicContact CG-CH2 4.01Å; K209-W560 HydrophobicContact CG-CZ3 3.81Å
210R80.6Confident85.3Confident149 Ų14959.1 Ų59.156%0.56229%0.286SS*.G310 helixtrans-64.8-24.4-178.7-61.7177-173.6-161.24.3113.2D207 F208D207-R210 VanDerWaalsContact O-CB 3.23Å; D207-R210 WeakPolarHBondContact O-CB 3.31Å; D207-R210 VanDerWaalsContact O-CG 3.24Å; D207-R210 WeakPolarHBondContact O-CG 3.42Å; D207-R210 PolarHBondContact O-N 3Å; D207-R210 IonicContact OD1-CZ 3.39Å; D207-R210 IonicContact OD1-NE 2.71Å; D207-R210 PolarHBondContact OD1-NE 3.4Å; D207-R210 IonicContact OD1-NH2 3.46Å; D207-R210 PolarHBondContact OD1-NH2 3.48Å; F208-R210 PolarHBondContact O-N 3.42Å; F208-R210 VanDerWaalsContact O-N 3.16Å
211I76.5Confident85.7Confident0 Ų055.5 Ų55.50%027%0.271CS..G310 helixtrans-85.3-15.317755.6168.5000112.5L189 L194 W202 F208 K209 W213 M598L189-I211 VanDerWaalsContact CD2-O 3.27Å; L189-I211 WeakPolarHBondContact CD2-O 3.41Å; L194-I211 HydrophobicContact CD1-CG2 3.69Å; W202-I211 HydrophobicContact CH2-CG2 3.76Å; W202-I211 HydrophobicContact CZ2-CD1 4.47Å; W202-I211 HydrophobicContact CZ2-CG2 4.15Å; F208-I211 WeakPolarHBondContact O-CG1 3.39Å; F208-I211 PolarHBondContact O-N 3.09Å; K209-I211 PolarHBondContact O-N 3.06Å; I211-W213 PolarHBondContact O-N 3.13Å; I211-M598 HydrophobicContact CB-CE 3.55Å; I211-M598 HydrophobicContact CD1-CE 3.71Å; I211-M598 HydrophobicContact CD1-SD 3.87Å; I211-M598 HydrophobicContact CG1-CE 3.66Å; I211-M598 HydrophobicContact CG1-SD 4.12Å; I211-M598 WeakPolarHBondContact O-CE 3.34Å
212F74.6Confident86.1Confident17 Ų1755.7 Ų55.78%0.07527%0.265CS..THydrogen-bonded Turntrans-80.812.7178.7-78.7-95.7000115.3F208 K209 K214 A220 A559 W560 M598F208-F212 WeakPolarHBondContact O-CD2 3.46Å; K209-F212 WeakPolarHBondContact O-CB 3.25Å; K209-F212 PolarHBondContact O-N 3.28Å; K209-F212 VanDerWaalsContact O-N 3.09Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.38Å; F212-A220 HydrophobicContact CE1-CB 4.03Å; F212-A559 HydrophobicContact CE1-CB 3.71Å; F212-A559 HydrophobicContact CZ-CB 3.73Å; F212-A559 VanDerWaalsContact CZ-O 3.29Å; F212-A559 WeakPolarHBondContact CZ-O 3.47Å; F212-W560 HydrophobicContact CD2-CE3 4.3Å; F212-W560 AromaticContact CE2-CE3 3.55Å; F212-W560 HydrophobicContact CE2-CE3 3.55Å; F212-W560 HydrophobicContact CE2-CZ3 4.19Å; F212-W560 HydrophobicContact CZ-CB 4.01Å; F212-W560 AromaticContact CZ-CE3 3.95Å; F212-W560 HydrophobicContact CZ-CE3 3.95Å; F212-M598 HydrophobicContact CD2-SD 4.35Å; F212-M598 HydrophobicContact CE1-SD 4.42Å; F212-M598 HydrophobicContact CE2-SD 4.04Å; F212-M598 HydrophobicContact CZ-SD 4.12Å
213W74.3Confident86.3Confident117 Ų11755 Ų5544%0.44326%0.262SS..THydrogen-bonded Turntrans-69.6-27.5-169.571.6-83.9000114E188 L191 I211E188-W213 HydrophobicContact CB-CZ2 4.34Å; E188-W213 VanDerWaalsContact O-CE2 3.3Å; E188-W213 WeakPolarHBondContact O-CZ2 3.4Å; E188-W213 PolarHBondContact O-NE1 2.84Å; E188-W213 WeakPolarHBondContact OE2-CH2 3.32Å; E188-W213 VanDerWaalsContact OE2-CZ2 3.29Å; E188-W213 WeakPolarHBondContact OE2-CZ2 3.44Å; L191-W213 HydrophobicContact CD1-CD2 4.49Å; L191-W213 HydrophobicContact CD1-CG 4.35Å; L191-W213 HydrophobicContact CD2-CH2 4.23Å; L191-W213 HydrophobicContact CD2-CZ2 3.55Å; L191-W213 HydrophobicContact CG-CZ2 4.23Å; I211-W213 PolarHBondContact O-N 3.13Å
214K78.4Confident86.6Confident84 Ų8452 Ų5237%0.36524%0.238SC..SBendtrans-123.1-49.7-177.5-163.6177.6-166.9-176.90114.4Y184 E188 F212 R216Y184-K214 WeakPolarHBondContact OH-CE 3.44Å; Y184-K214 PolarHBondContact OH-NZ 3.05Å; E188-K214 HydrophobicContact CB-CD 4.25Å; E188-K214 VanDerWaalsContact CD-CD 3.48Å; E188-K214 HydrophobicContact CG-CD 3.89Å; E188-K214 IonicContact OE1-NZ 3.01Å; E188-K214 PolarHBondContact OE1-NZ 2.9Å; E188-K214 WeakPolarHBondContact OE2-CD 3.32Å; E188-K214 WeakPolarHBondContact OE2-CE 3.31Å; E188-K214 IonicContact OE2-NZ 3.73Å; E188-K214 PolarHBondContact OE2-NZ 3.29Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 3.38Å; K214-R216 PolarHBondContact O-N 2.89Å
215L81.7Confident86.8Confident9 Ų954.1 Ų54.15%0.04725%0.249CC..SBendtrans-81.2117176.6-55.3-177.6000107.8A185 L189 F555 W602A185-L215 HydrophobicContact CB-CD1 4.33Å; L189-L215 HydrophobicContact CD1-CD1 4.06Å; L189-L215 HydrophobicContact CD2-CD1 4.02Å; L189-L215 HydrophobicContact CD2-CG 4.29Å; L189-L215 HydrophobicContact CG-CD1 4.07Å; L215-F555 HydrophobicContact CB-CE1 4.36Å; L215-F555 HydrophobicContact CB-CE2 4.15Å; L215-F555 HydrophobicContact CB-CZ 3.56Å; L215-W602 HydrophobicContact CD1-CB 4.12Å; L215-W602 HydrophobicContact CD1-CD2 4.03Å; L215-W602 HydrophobicContact CD1-CG 3.76Å; L215-W602 HydrophobicContact CD2-CD2 4.31Å; L215-W602 HydrophobicContact CD2-CZ2 4.23Å
216R84.8Confident87.2Confident163 Ų16356 Ų5662%0.61526%0.257SS*.  trans-133.3148.4-172.9-66.1-175.368.1177.8-0.6110.5K214 E221K214-R216 PolarHBondContact O-N 2.89Å; R216-E221 IonicContact CZ-OE1 2.92Å; R216-E221 IonicContact CZ-OE2 3.75Å; R216-E221 IonicContact NE-OE1 3.3Å; R216-E221 PolarHBondContact NE-OE1 2.82Å; R216-E221 IonicContact NH2-OE1 2.68Å; R216-E221 PolarHBondContact NH2-OE1 3.33Å; R216-E221 IonicContact NH2-OE2 3.18Å; R216-E221 PolarHBondContact NH2-OE2 2.93Å
217S90.8Very high87.7Confident8 Ų852.2 Ų52.26%0.05624%0.236CC..  trans-144.8136.7172.5157.80000107.9I219 A220 E221 D556S217-I219 PolarHBondContact O-N 3.33Å; S217-I219 PolarHBondContact OG-N 2.96Å; S217-A220 PolarHBondContact O-N 2.87Å; S217-A220 VanDerWaalsContact O-N 3.13Å; S217-A220 PolarHBondContact OG-N 2.9Å; S217-E221 WeakPolarHBondContact O-CG 3.32Å; S217-E221 PolarHBondContact O-N 3.11Å; S217-D556 VanDerWaalsContact CB-OD1 3.23Å; S217-D556 WeakPolarHBondContact CB-OD1 3.25Å; S217-D556 PolarHBondContact OG-OD1 2.82Å
218P92.3Very high88.3Confident112 Ų11257.4 Ų57.473%0.72726%0.258SS*.Hα-helixtrans-55.9-38.5174.6-25.434.8000112.9E221 Y222P218-E221 PolarHBondContact O-N 2.76Å; P218-Y222 WeakPolarHBondContact O-CB 3.47Å; P218-Y222 PolarHBondContact O-N 2.99Å
219I94.4Very high88.9Confident26 Ų2661.2 Ų61.213%0.13328%0.275CS..Hα-helixtrans-70.4-40177.9-62.8178000110.4S217 E221 Y222 C223 D556 W557 L654S217-I219 PolarHBondContact O-N 3.33Å; S217-I219 PolarHBondContact OG-N 2.96Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.17Å; I219-Y222 PolarHBondContact O-N 2.9Å; I219-C223 WeakPolarHBondContact O-CB 3.45Å; I219-C223 PolarHBondContact O-N 2.88Å; I219-C223 PolarHBondContact O-SG 3.24Å; I219-D556 HydrophobicContact CB-CB 3.76Å; I219-D556 HydrophobicContact CD1-CB 4.26Å; I219-D556 HydrophobicContact CG2-CB 3.7Å; I219-W557 HydrophobicContact CG2-CD2 3.99Å; I219-W557 HydrophobicContact CG2-CE3 4.13Å; I219-W557 HydrophobicContact CG2-CH2 4Å; I219-W557 HydrophobicContact CG2-CZ2 3.83Å; I219-W557 HydrophobicContact CG2-CZ3 4.13Å; I219-L654 HydrophobicContact CB-CD1 4.35Å; I219-L654 HydrophobicContact CG1-CD1 3.92Å; I219-L654 HydrophobicContact CG2-CD1 4.15Å
220A93.8Very high89.6Confident0 Ų058.8 Ų58.80%027%0.267CS..Hα-helixtrans-66-35.217800000112.4F212 S217 C223 M224 D556 A559F212-A220 HydrophobicContact CE1-CB 4.03Å; S217-A220 PolarHBondContact O-N 2.87Å; S217-A220 VanDerWaalsContact O-N 3.13Å; S217-A220 PolarHBondContact OG-N 2.9Å; A220-C223 PolarHBondContact O-N 2.76Å; A220-M224 WeakPolarHBondContact O-CB 3.49Å; A220-M224 PolarHBondContact O-N 2.92Å; A220-D556 WeakPolarHBondContact CA-O 3.27Å; A220-D556 WeakPolarHBondContact CB-O 3.48Å; A220-D556 PolarHBondContact N-O 3.3Å; A220-A559 HydrophobicContact CB-CB 4.09Å
221E93.5Very high90.4Very high52 Ų5259 Ų5924%0.24327%0.267CS..Hα-helixtrans-68.7-45.7173.1-73.4171-151.600111.8R216 S217 P218 I219 C223 M224 D225R216-E221 IonicContact CZ-OE1 2.92Å; R216-E221 IonicContact CZ-OE2 3.75Å; R216-E221 IonicContact NE-OE1 3.3Å; R216-E221 PolarHBondContact NE-OE1 2.82Å; R216-E221 IonicContact NH2-OE1 2.68Å; R216-E221 PolarHBondContact NH2-OE1 3.33Å; R216-E221 IonicContact NH2-OE2 3.18Å; R216-E221 PolarHBondContact NH2-OE2 2.93Å; S217-E221 WeakPolarHBondContact O-CG 3.32Å; S217-E221 PolarHBondContact O-N 3.11Å; P218-E221 PolarHBondContact O-N 2.76Å; I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 PolarHBondContact O-N 3.17Å; E221-C223 VanDerWaalsContact C-N 3.26Å; E221-C223 PolarHBondContact O-N 2.67Å; E221-M224 WeakPolarHBondContact O-CB 3.35Å; E221-M224 PolarHBondContact O-N 3.21Å; E221-M224 VanDerWaalsContact O-N 3.12Å; E221-D225 PolarHBondContact O-N 3.32Å; E221-D225 VanDerWaalsContact O-N 3.08Å
222Y95.4Very high91.4Very high53 Ų5359.2 Ų59.221%0.20827%0.269CS..Hα-helixtrans-55.8-45171.9-171.6-79000110.9P218 I219 M224 D225 H226 L232 D653 L654P218-Y222 WeakPolarHBondContact O-CB 3.47Å; P218-Y222 PolarHBondContact O-N 2.99Å; I219-Y222 PolarHBondContact O-N 2.9Å; Y222-M224 PolarHBondContact O-N 3.49Å; Y222-D225 PolarHBondContact O-N 2.99Å; Y222-H226 HydrophobicContact CD1-CB 4.24Å; Y222-H226 AromaticContact CD1-CD2 3.73Å; Y222-H226 AromaticContact CD2-CD2 3.78Å; Y222-H226 HydrophobicContact CE1-CB 3.89Å; Y222-H226 AromaticContact CE1-CD2 3.55Å; Y222-H226 AromaticContact CE1-CG 3.82Å; Y222-H226 AromaticContact CE2-CD2 3.64Å; Y222-H226 AromaticContact CE2-NE2 3.77Å; Y222-H226 AromaticContact CG-CD2 3.82Å; Y222-H226 AromaticContact CZ-CD2 3.5Å; Y222-H226 AromaticContact CZ-CG 3.96Å; Y222-H226 AromaticContact CZ-NE2 3.91Å; Y222-H226 WeakPolarHBondContact O-CB 3.38Å; Y222-H226 PolarHBondContact O-CD2 3.29Å; Y222-H226 PolarHBondContact O-N 3.24Å; Y222-L232 HydrophobicContact CD1-CD1 4.36Å; Y222-L232 HydrophobicContact CD1-CD2 4.29Å; Y222-L232 HydrophobicContact CE1-CD1 4.02Å; Y222-L232 HydrophobicContact CE1-CD2 4.28Å; Y222-D653 HydrophobicContact CE2-CB 4.2Å; Y222-L654 HydrophobicContact CD1-CD1 4.02Å; Y222-L654 HydrophobicContact CD1-CD2 3.84Å; Y222-L654 HydrophobicContact CD1-CG 4.47Å; Y222-L654 HydrophobicContact CD2-CD1 4.48Å; Y222-L654 HydrophobicContact CE1-CD2 3.8Å; Y222-L654 HydrophobicContact CG-CD1 3.98Å
223C95Very high92.6Very high0 Ų058.7 Ų58.70%027%0.266CS..Hα-helixtrans-60.8-44.8175.8-70.60000112.1I219 A220 E221 D225 H226 W227 W557I219-C223 WeakPolarHBondContact O-CB 3.45Å; I219-C223 PolarHBondContact O-N 2.88Å; I219-C223 PolarHBondContact O-SG 3.24Å; A220-C223 PolarHBondContact O-N 2.76Å; E221-C223 VanDerWaalsContact C-N 3.26Å; E221-C223 PolarHBondContact O-N 2.67Å; C223-D225 PolarHBondContact O-N 2.91Å; C223-H226 PolarHBondContact O-N 2.73Å; C223-W227 WeakPolarHBondContact O-CA 3.3Å; C223-W227 WeakPolarHBondContact O-CB 3.41Å; C223-W227 PolarHBondContact O-N 2.9Å; C223-W557 WeakPolarHBondContact SG-CZ3 3.43Å
224M93.8Very high93.7Very high35 Ų3553.1 Ų53.117%0.17225%0.245CC..Hα-helixtrans-56.9-36.5177.9174-17569.200112.3K209 A220 E221 Y222 W560K209-M224 HydrophobicContact CB-SD 4.45Å; K209-M224 HydrophobicContact CD-SD 4.03Å; K209-M224 HydrophobicContact CG-CG 4.41Å; K209-M224 HydrophobicContact CG-SD 3.67Å; A220-M224 WeakPolarHBondContact O-CB 3.49Å; A220-M224 PolarHBondContact O-N 2.92Å; E221-M224 WeakPolarHBondContact O-CB 3.35Å; E221-M224 PolarHBondContact O-N 3.21Å; E221-M224 VanDerWaalsContact O-N 3.12Å; Y222-M224 PolarHBondContact O-N 3.49Å; M224-W560 HydrophobicContact CB-CD2 4.05Å; M224-W560 HydrophobicContact CB-CE3 3.95Å; M224-W560 HydrophobicContact CB-CG 4.37Å; M224-W560 HydrophobicContact CB-CZ3 4.44Å; M224-W560 HydrophobicContact CG-CD2 4.13Å; M224-W560 HydrophobicContact CG-CE3 3.72Å; M224-W560 HydrophobicContact CG-CH2 4.07Å; M224-W560 HydrophobicContact CG-CZ2 4.43Å; M224-W560 HydrophobicContact CG-CZ3 3.7Å; M224-W560 HydrophobicContact SD-CE3 4.4Å; M224-W560 HydrophobicContact SD-CZ3 4.17Å
225D94.4Very high94.6Very high106 Ų10651.3 Ų51.357%0.56724%0.236SC*.Hα-helixtrans-82.3-33-179.5-67.5-23.1000112.7E221 Y222 C223E221-D225 PolarHBondContact O-N 3.32Å; E221-D225 VanDerWaalsContact O-N 3.08Å; Y222-D225 PolarHBondContact O-N 2.99Å; C223-D225 PolarHBondContact O-N 2.91Å
226H96.8Very high95.4Very high53 Ų5350.9 Ų50.925%0.24523%0.234CC..Hα-helixtrans-113.8-4.2-168.4-64.4-75.5000115.6Y222 C223 K228 E229 L232Y222-H226 HydrophobicContact CD1-CB 4.24Å; Y222-H226 AromaticContact CD1-CD2 3.73Å; Y222-H226 AromaticContact CD2-CD2 3.78Å; Y222-H226 HydrophobicContact CE1-CB 3.89Å; Y222-H226 AromaticContact CE1-CD2 3.55Å; Y222-H226 AromaticContact CE1-CG 3.82Å; Y222-H226 AromaticContact CE2-CD2 3.64Å; Y222-H226 AromaticContact CE2-NE2 3.77Å; Y222-H226 AromaticContact CG-CD2 3.82Å; Y222-H226 AromaticContact CZ-CD2 3.5Å; Y222-H226 AromaticContact CZ-CG 3.96Å; Y222-H226 AromaticContact CZ-NE2 3.91Å; Y222-H226 WeakPolarHBondContact O-CB 3.38Å; Y222-H226 PolarHBondContact O-CD2 3.29Å; Y222-H226 PolarHBondContact O-N 3.24Å; C223-H226 PolarHBondContact O-N 2.73Å; H226-K228 PolarHBondContact O-N 2.92Å; H226-E229 IonicContact CE1-OE1 2.89Å; H226-E229 IonicContact CG-OE1 2.67Å; H226-E229 IonicContact ND1-OE1 2.69Å; H226-E229 PolarHBondContact ND1-OE1 2.98Å; H226-E229 IonicContact ND1-OE2 3.69Å; H226-E229 PolarHBondContact ND1-OE2 3.01Å; H226-E229 VanDerWaalsContact O-CB 3.25Å; H226-E229 WeakPolarHBondContact O-CB 3.3Å; H226-E229 WeakPolarHBondContact O-CG 3.32Å; H226-E229 PolarHBondContact O-N 3.34Å; H226-L232 HydrophobicContact CB-CB 4.44Å; H226-L232 HydrophobicContact CB-CD2 3.67Å
227W96.3Very high96Very high19 Ų1943.2 Ų43.27%0.07221%0.206CC..THydrogen-bonded Turntrans-58.8-20.4-17369.1-72.6000115.5L205 C223 E229 L348 M352 W560 P562 N563L205-W227 HydrophobicContact CD1-CH2 4.14Å; L205-W227 HydrophobicContact CD1-CZ2 3.98Å; L205-W227 HydrophobicContact CD2-CH2 4.01Å; L205-W227 HydrophobicContact CD2-CZ2 4.09Å; C223-W227 WeakPolarHBondContact O-CA 3.3Å; C223-W227 WeakPolarHBondContact O-CB 3.41Å; C223-W227 PolarHBondContact O-N 2.9Å; W227-E229 VanDerWaalsContact C-N 3.27Å; W227-L348 HydrophobicContact CE3-CD1 4.15Å; W227-L348 HydrophobicContact CH2-CD1 3.93Å; W227-L348 HydrophobicContact CH2-CD2 3.86Å; W227-L348 HydrophobicContact CH2-CG 4.15Å; W227-L348 HydrophobicContact CZ3-CD1 3.56Å; W227-L348 HydrophobicContact CZ3-CD2 4.32Å; W227-L348 HydrophobicContact CZ3-CG 4.1Å; W227-M352 HydrophobicContact CH2-CE 3.19Å; W227-M352 HydrophobicContact CZ2-CE 4.49Å; W227-M352 HydrophobicContact CZ3-CE 3.25Å; W227-M352 HydrophobicContact CZ3-CG 4.19Å; W227-W560 AromaticContact CD1-CD1 3.75Å; W227-W560 AromaticContact CD1-CE2 3.93Å; W227-W560 AromaticContact CD1-NE1 3.1Å; W227-W560 AromaticContact CD2-NE1 3.39Å; W227-W560 AromaticContact CE2-NE1 3.32Å; W227-W560 VanDerWaalsContact CE2-NE1 3.32Å; W227-W560 AromaticContact CG-CD1 3.63Å; W227-W560 AromaticContact CG-NE1 3.24Å; W227-W560 HydrophobicContact CZ2-CZ2 4.49Å; W227-W560 AromaticContact NE1-CE2 3.68Å; W227-W560 AromaticContact NE1-CZ2 3.75Å; W227-W560 AromaticContact NE1-NE1 3.11Å; W227-W560 VanDerWaalsContact NE1-NE1 3.11Å; W227-P562 HydrophobicContact CD2-CB 4.44Å; W227-P562 HydrophobicContact CE3-CB 4.13Å; W227-P562 HydrophobicContact CH2-CB 3.7Å; W227-P562 HydrophobicContact CZ2-CB 4.02Å; W227-P562 HydrophobicContact CZ3-CB 3.76Å; W227-N563 HydrophobicContact CB-CB 3.94Å
228K97.6Very high96.4Very high117 Ų11743.2 Ų43.251%0.50921%0.205SC..THydrogen-bonded Turntrans-76.2-17.2176-63.3-177.9-177.1170.90112.3H226 L348 K351H226-K228 PolarHBondContact O-N 2.92Å; K228-L348 HydrophobicContact CB-CD1 4.34Å; K228-L348 HydrophobicContact CG-CD1 4.02Å; K228-L348 HydrophobicContact CG-CD2 4.49Å; K228-K351 PolarHBondContact O-NZ 3.47Å
229E98.1Very high96.6Very high80 Ų8037.9 Ų37.937%0.37417%0.17SC..SBendtrans-77.1138.2-177.4-60.3174.8-169.500111.7H226 W227 R231 L232 F233H226-E229 IonicContact CE1-OE1 2.89Å; H226-E229 IonicContact CG-OE1 2.67Å; H226-E229 IonicContact ND1-OE1 2.69Å; H226-E229 PolarHBondContact ND1-OE1 2.98Å; H226-E229 IonicContact ND1-OE2 3.69Å; H226-E229 PolarHBondContact ND1-OE2 3.01Å; H226-E229 VanDerWaalsContact O-CB 3.25Å; H226-E229 WeakPolarHBondContact O-CB 3.3Å; H226-E229 WeakPolarHBondContact O-CG 3.32Å; H226-E229 PolarHBondContact O-N 3.34Å; W227-E229 VanDerWaalsContact C-N 3.27Å; E229-R231 VanDerWaalsContact C-N 3.28Å; E229-R231 PolarHBondContact O-N 3.41Å; E229-L232 HydrophobicContact CB-CB 4.5Å; E229-L232 PolarHBondContact O-N 3.16Å; E229-F233 PolarHBondContact O-N 3.49Å
230D98.6Very high96.7Very high35 Ų3536.8 Ų36.819%0.18717%0.165CC..Hα-helixtrans-67-32.5176.8-75.6-14000111.8F233 G234 I321 P322 W347 K351D230-F233 WeakPolarHBondContact O-CB 3.36Å; D230-F233 PolarHBondContact O-N 3.1Å; D230-G234 PolarHBondContact O-N 3.43Å; D230-I321 HydrophobicContact CB-CB 4.37Å; D230-I321 HydrophobicContact CB-CG2 4.37Å; D230-P322 HydrophobicContact CB-CG 4.04Å; D230-P322 VanDerWaalsContact O-CD 3.24Å; D230-P322 WeakPolarHBondContact O-CD 3.43Å; D230-W347 PolarHBondContact OD1-NE1 2.87Å; D230-W347 PolarHBondContact OD2-NE1 3.32Å; D230-W347 VanDerWaalsContact OD2-NE1 3.16Å; D230-K351 WeakPolarHBondContact OD1-CD 3.44Å; D230-K351 WeakPolarHBondContact OD1-CE 3.4Å; D230-K351 IonicContact OD1-NZ 3.59Å; D230-K351 PolarHBondContact OD1-NZ 3.31Å
231R97.3Very high96.6Very high152 Ų15237 Ų3757%0.57417%0.167SC*.Hα-helixtrans-62.3-44.9174.7-176.2172.8-175.7-144-0.9112.6E229 G234 Y235 E318E229-R231 VanDerWaalsContact C-N 3.28Å; E229-R231 PolarHBondContact O-N 3.41Å; R231-G234 PolarHBondContact O-N 3.08Å; R231-Y235 WeakPolarHBondContact O-CB 3.37Å; R231-Y235 PolarHBondContact O-N 3Å; R231-E318 WeakPolarHBondContact CD-O 3.21Å; R231-E318 WeakPolarHBondContact CG-O 3.26Å; R231-E318 PolarHBondContact NE-O 3.43Å
232L97.8Very high96.6Very high5 Ų534.7 Ų34.73%0.02616%0.156CC..Hα-helixtrans-69.4-35.7177-176.359.5000111.5Y222 H226 E229 Y235 Q236 W557 L654Y222-L232 HydrophobicContact CD1-CD1 4.36Å; Y222-L232 HydrophobicContact CD1-CD2 4.29Å; Y222-L232 HydrophobicContact CE1-CD1 4.02Å; Y222-L232 HydrophobicContact CE1-CD2 4.28Å; H226-L232 HydrophobicContact CB-CB 4.44Å; H226-L232 HydrophobicContact CB-CD2 3.67Å; E229-L232 HydrophobicContact CB-CB 4.5Å; E229-L232 PolarHBondContact O-N 3.16Å; L232-Y235 HydrophobicContact CD1-CD1 4.25Å; L232-Y235 PolarHBondContact O-N 3.17Å; L232-Q236 HydrophobicContact CD1-CG 4.46Å; L232-Q236 WeakPolarHBondContact O-CG 3.07Å; L232-Q236 PolarHBondContact O-N 3.44Å; L232-Q236 VanDerWaalsContact O-N 3.09Å; L232-Q236 PolarHBondContact O-NE2 2.95Å; L232-W557 HydrophobicContact CD1-CH2 4.48Å; L232-W557 HydrophobicContact CD1-CZ3 4.03Å; L232-L654 HydrophobicContact CD1-CD2 3.93Å
233F98.6Very high96.6Very high7 Ų732.2 Ų32.23%0.03115%0.146CC..Hα-helixtrans-57.3-51.8173.1179.1-79.7000111E229 D230 Q236 C237 L285 L312 P322 K351 V354 R355E229-F233 PolarHBondContact O-N 3.49Å; D230-F233 WeakPolarHBondContact O-CB 3.36Å; D230-F233 PolarHBondContact O-N 3.1Å; F233-Q236 PolarHBondContact O-N 3.42Å; F233-C237 PolarHBondContact O-SG 2.96Å; F233-C237 VanDerWaalsContact O-SG 3.35Å; F233-L285 HydrophobicContact CE1-CD1 4.43Å; F233-L312 HydrophobicContact CE1-CD2 4.34Å; F233-P322 HydrophobicContact CB-CG 4.27Å; F233-P322 HydrophobicContact CD1-CB 3.81Å; F233-P322 HydrophobicContact CD1-CG 3.49Å; F233-P322 VanDerWaalsContact CD1-CG 3.49Å; F233-P322 HydrophobicContact CE1-CB 3.8Å; F233-P322 HydrophobicContact CE1-CG 4Å; F233-P322 HydrophobicContact CG-CG 3.99Å; F233-K351 HydrophobicContact CB-CD 4.41Å; F233-K351 HydrophobicContact CD2-CB 3.97Å; F233-K351 HydrophobicContact CD2-CD 3.97Å; F233-K351 HydrophobicContact CD2-CG 4.06Å; F233-K351 HydrophobicContact CE2-CB 3.93Å; F233-K351 HydrophobicContact CE2-CD 4.49Å; F233-K351 HydrophobicContact CE2-CG 4.1Å; F233-K351 HydrophobicContact CG-CD 4.23Å; F233-V354 HydrophobicContact CE2-CB 4.09Å; F233-V354 HydrophobicContact CE2-CG1 4.21Å; F233-V354 HydrophobicContact CZ-CB 3.91Å; F233-V354 HydrophobicContact CZ-CG1 3.66Å; F233-V354 HydrophobicContact CZ-CG2 4.47Å; F233-R355 HydrophobicContact CD2-CG 4.16Å; F233-R355 HydrophobicContact CE2-CG 3.95Å
234G98.2Very high96.5Very high0 Ų033.2 Ų33.20%015%0.15CC..Hα-helixtrans-69.2-34.6179.800000113.3D230 R231 Q236 C237 L320D230-G234 PolarHBondContact O-N 3.43Å; R231-G234 PolarHBondContact O-N 3.08Å; G234-Q236 VanDerWaalsContact C-N 3.29Å; G234-Q236 PolarHBondContact O-N 2.96Å; G234-C237 VanDerWaalsContact O-CB 3.3Å; G234-C237 WeakPolarHBondContact O-CB 3.41Å; G234-C237 PolarHBondContact O-N 2.87Å; G234-C237 VanDerWaalsContact O-N 3.11Å; G234-L320 WeakPolarHBondContact CA-O 3.43Å
235Y97.8Very high96.6Very high45 Ų4533.4 Ų33.418%0.17615%0.151CC..Hα-helixtrans-56.7-43.1172.6-179.1-91.9000111.9R231 L232 C237 L238 N239 F466 W557 L654R231-Y235 WeakPolarHBondContact O-CB 3.37Å; R231-Y235 PolarHBondContact O-N 3Å; L232-Y235 HydrophobicContact CD1-CD1 4.25Å; L232-Y235 PolarHBondContact O-N 3.17Å; Y235-C237 PolarHBondContact O-N 3.26Å; Y235-L238 PolarHBondContact O-N 3.25Å; Y235-N239 HydrophobicContact CD1-CB 4.08Å; Y235-N239 HydrophobicContact CE1-CB 3.48Å; Y235-N239 VanDerWaalsContact CE1-CB 3.48Å; Y235-N239 HydrophobicContact CE2-CB 4.02Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.11Å; Y235-N239 VanDerWaalsContact CZ-CB 3.46Å; Y235-N239 PolarHBondContact O-N 2.74Å; Y235-F466 HydrophobicContact CE2-CE2 4.41Å; Y235-W557 AromaticContact CD1-CH2 3.85Å; Y235-W557 HydrophobicContact CD1-CH2 3.85Å; Y235-W557 AromaticContact CE1-CH2 3.69Å; Y235-W557 HydrophobicContact CE1-CH2 3.69Å; Y235-W557 HydrophobicContact CE1-CZ2 4.13Å; Y235-L654 HydrophobicContact CD1-CD2 3.83Å; Y235-L654 HydrophobicContact CE1-CD2 3.5Å; Y235-L654 HydrophobicContact CE1-CG 4.05Å; Y235-L654 PolarHBondContact OH-O 2.93Å
236Q98.1Very high96.8Very high1 Ų128.4 Ų28.41%0.00512%0.124CC..Hα-helixtrans-63.7-25.8179.1-74.8178.388.400113.4L232 F233 G234 L238 G240 W557 N563L232-Q236 HydrophobicContact CD1-CG 4.46Å; L232-Q236 WeakPolarHBondContact O-CG 3.07Å; L232-Q236 PolarHBondContact O-N 3.44Å; L232-Q236 VanDerWaalsContact O-N 3.09Å; L232-Q236 PolarHBondContact O-NE2 2.95Å; F233-Q236 PolarHBondContact O-N 3.42Å; G234-Q236 VanDerWaalsContact C-N 3.29Å; G234-Q236 PolarHBondContact O-N 2.96Å; Q236-L238 PolarHBondContact O-N 2.8Å; Q236-G240 VanDerWaalsContact O-CA 3.3Å; Q236-G240 WeakPolarHBondContact O-CA 3.03Å; Q236-G240 PolarHBondContact O-N 3.12Å; Q236-W557 HydrophobicContact CG-CD2 4.39Å; Q236-W557 HydrophobicContact CG-CE3 3.55Å; Q236-W557 HydrophobicContact CG-CH2 4.1Å; Q236-W557 HydrophobicContact CG-CZ3 3.38Å; Q236-N563 PolarHBondContact NE2-OD1 2.94Å; Q236-N563 PolarHBondContact OE1-ND2 3.34Å; Q236-N563 PolarHBondContact OE1-OD1 2.74Å
237C98.1Very high96.9Very high2 Ų229.3 Ų29.31%0.01413%0.127CC..Hα-helixtrans-67.4-20.8174.5-54.20000112.9F233 G234 Y235 L320F233-C237 PolarHBondContact O-SG 2.96Å; F233-C237 VanDerWaalsContact O-SG 3.35Å; G234-C237 VanDerWaalsContact O-CB 3.3Å; G234-C237 WeakPolarHBondContact O-CB 3.41Å; G234-C237 PolarHBondContact O-N 2.87Å; G234-C237 VanDerWaalsContact O-N 3.11Å; Y235-C237 PolarHBondContact O-N 3.26Å; C237-L320 HydrophobicContact CB-CD2 4.27Å
238L97.9Very high97Very high7 Ų732.3 Ų32.34%0.03714%0.141CC..Hα-helixtrans-106-35.7179.1-58.2-180000112.5Y235 Q236 P243 I246 L320 V462 Y465Y235-L238 PolarHBondContact O-N 3.25Å; Q236-L238 PolarHBondContact O-N 2.8Å; L238-P243 WeakPolarHBondContact O-CB 3.3Å; L238-I246 HydrophobicContact CD2-CD1 3.74Å; L238-I246 HydrophobicContact CD2-CG2 4.1Å; L238-L320 HydrophobicContact CD1-CB 4.39Å; L238-L320 HydrophobicContact CD1-CD2 4.06Å; L238-L320 HydrophobicContact CD2-CD2 4.09Å; L238-L320 HydrophobicContact CG-CD2 3.9Å; L238-V462 HydrophobicContact CD1-CG1 3.86Å; L238-V462 HydrophobicContact CD2-CG1 3.88Å; L238-Y465 HydrophobicContact CB-CD2 3.78Å; L238-Y465 HydrophobicContact CB-CE2 4.17Å; L238-Y465 HydrophobicContact CB-CG 4.31Å; L238-Y465 HydrophobicContact CD2-CD1 4.01Å; L238-Y465 HydrophobicContact CD2-CD2 4.02Å; L238-Y465 HydrophobicContact CD2-CE1 4.15Å; L238-Y465 HydrophobicContact CD2-CE2 4.15Å; L238-Y465 HydrophobicContact CD2-CG 3.93Å; L238-Y465 HydrophobicContact CG-CD2 4.47Å; L238-Y465 WeakPolarHBondContact O-CD2 3Å; L238-Y465 WeakPolarHBondContact O-CE2 3.34Å
239N97.6Very high97Very high1 Ų127 Ų271%0.00512%0.119CC..Hα-helixtrans-136.310.6-165.3-56.2-52.9000113.2Y235 N464 F466 W557 Y656Y235-N239 HydrophobicContact CD1-CB 4.08Å; Y235-N239 HydrophobicContact CE1-CB 3.48Å; Y235-N239 VanDerWaalsContact CE1-CB 3.48Å; Y235-N239 HydrophobicContact CE2-CB 4.02Å; Y235-N239 WeakPolarHBondContact CE2-ND2 3.11Å; Y235-N239 VanDerWaalsContact CZ-CB 3.46Å; Y235-N239 PolarHBondContact O-N 2.74Å; N239-N464 PolarHBondContact ND2-O 2.78Å; N239-F466 WeakPolarHBondContact OD1-CB 3.31Å; N239-F466 PolarHBondContact OD1-N 2.65Å; N239-W557 WeakPolarHBondContact O-CZ2 3.25Å; N239-Y656 HydrophobicContact CB-CD2 3.93Å; N239-Y656 HydrophobicContact CB-CE2 4.4Å; N239-Y656 WeakPolarHBondContact O-CD2 3.25Å
240G96.1Very high96.9Very high2 Ų227 Ų272%0.02113%0.128CC..SBendtrans-82-160.3175.900000113.3Q236 N242 P243Q236-G240 VanDerWaalsContact O-CA 3.3Å; Q236-G240 WeakPolarHBondContact O-CA 3.03Å; Q236-G240 PolarHBondContact O-N 3.12Å; G240-N242 VanDerWaalsContact C-N 3.33Å; G240-N242 PolarHBondContact O-N 3.48Å; G240-P243 WeakPolarHBondContact O-CD 3.27Å
241S90.8Very high96.8Very high5 Ų531.1 Ų31.14%0.03515%0.154CC..SBendtrans-69.8-24.2177.3-58.30000114.9P243 F362 G553 W557S241-P243 VanDerWaalsContact C-CD 3.47Å; S241-F362 WeakPolarHBondContact O-CD2 3.5Å; S241-F362 WeakPolarHBondContact O-CE2 3.46Å; S241-G553 PolarHBondContact OG-O 3.08Å; S241-W557 VanDerWaalsContact OG-CB 3.25Å; S241-W557 WeakPolarHBondContact OG-CB 3.45Å
242N94.9Very high96.8Very high3 Ų325.8 Ų25.82%0.01614%0.136CC..  trans-129.965.4-179.2-169.826.3000112.6G240 R244 M245 E358 F362 S366G240-N242 VanDerWaalsContact C-N 3.33Å; G240-N242 PolarHBondContact O-N 3.48Å; N242-R244 PolarHBondContact O-N 2.73Å; N242-M245 WeakPolarHBondContact ND2-CG 3.46Å; N242-E358 HydrophobicContact CB-CG 4.33Å; N242-E358 PolarHBondContact ND2-OE2 2.82Å; N242-F362 HydrophobicContact CB-CB 3.74Å; N242-F362 HydrophobicContact CB-CD2 3.69Å; N242-F362 HydrophobicContact CB-CG 3.94Å; N242-S366 VanDerWaalsContact OD1-CB 3.23Å; N242-S366 WeakPolarHBondContact OD1-CB 3.38Å; N242-S366 PolarHBondContact OD1-OG 3.04Å
243P94.9Very high96.8Very high1 Ų126.9 Ų26.91%0.00614%0.144CC..THydrogen-bonded Turntrans-78.239.4-173.635.5-37.4000112.8L238 G240 S241 Y465 Y467L238-P243 WeakPolarHBondContact O-CB 3.3Å; G240-P243 WeakPolarHBondContact O-CD 3.27Å; S241-P243 VanDerWaalsContact C-CD 3.47Å; P243-Y465 HydrophobicContact CB-CE2 4.2Å; P243-Y465 PolarHBondContact O-OH 3.15Å; P243-Y467 HydrophobicContact CB-CD1 3.71Å; P243-Y467 HydrophobicContact CB-CE1 4.39Å; P243-Y467 HydrophobicContact CB-CG 3.84Å; P243-Y467 HydrophobicContact CG-CD1 3.47Å; P243-Y467 VanDerWaalsContact CG-CD1 3.47Å; P243-Y467 HydrophobicContact CG-CD2 3.73Å; P243-Y467 HydrophobicContact CG-CE1 3.89Å; P243-Y467 HydrophobicContact CG-CE2 4.16Å; P243-Y467 HydrophobicContact CG-CG 3.36Å; P243-Y467 WeakPolarHBondContact O-CD1 3.09Å; P243-Y467 WeakPolarHBondContact O-CE1 3.24Å
244R93.5Very high96.7Very high21 Ų2130.5 Ų30.58%0.07918%0.183CC..THydrogen-bonded Turntrans-118.2-24.2-175.8-170.9-173.9-74.5-103.37.3113.8N242 I246 S447 D453 R457N242-R244 PolarHBondContact O-N 2.73Å; R244-I246 VanDerWaalsContact C-N 3.33Å; R244-I246 PolarHBondContact O-N 3.47Å; R244-S447 PolarHBondContact NH1-O 2.86Å; R244-D453 IonicContact CZ-OD1 2.73Å; R244-D453 IonicContact NH1-OD1 3.46Å; R244-D453 PolarHBondContact NH1-OD1 3.27Å; R244-D453 IonicContact NH1-OD2 3.54Å; R244-R457 WeakPolarHBondContact O-CD 3.4Å; R244-R457 VanDerWaalsContact O-CZ 3.31Å; R244-R457 PolarHBondContact O-NE 3.33Å; R244-R457 PolarHBondContact O-NH1 2.95Å; R244-R457 VanDerWaalsContact O-NH1 3.11Å
245M96Very high96.7Very high40 Ų4033 Ų3320%0.19720%0.196CC..  trans-74.1-20.8-168.8-65.5-51.9-66.700114.9N242 K247 L285 Y287 E358 V361N242-M245 WeakPolarHBondContact ND2-CG 3.46Å; M245-K247 PolarHBondContact O-N 3.26Å; M245-L285 HydrophobicContact CB-CD2 3.76Å; M245-Y287 HydrophobicContact CE-CD1 4.24Å; M245-Y287 HydrophobicContact CE-CE1 4.13Å; M245-Y287 HydrophobicContact CG-CE1 4.23Å; M245-E358 VanDerWaalsContact CG-OE2 3.28Å; M245-E358 WeakPolarHBondContact CG-OE2 3.43Å; M245-V361 HydrophobicContact CE-CG1 4Å; M245-V361 HydrophobicContact CG-CG1 4.27Å; M245-V361 HydrophobicContact SD-CG1 3.54Å; M245-V361 VanDerWaalsContact SD-CG1 3.54Å
246I98.1Very high96.7Very high0 Ų030.9 Ų30.90%019%0.188CC..  trans-68.3128.7-179.2-170.5179.1000111.5L238 R244 F283 L285 L320 R457 V459 Y465L238-I246 HydrophobicContact CD2-CD1 3.74Å; L238-I246 HydrophobicContact CD2-CG2 4.1Å; R244-I246 VanDerWaalsContact C-N 3.33Å; R244-I246 PolarHBondContact O-N 3.47Å; I246-F283 HydrophobicContact CD1-CB 3.88Å; I246-F283 HydrophobicContact CD1-CD1 3.95Å; I246-F283 HydrophobicContact CD1-CG 3.91Å; I246-F283 HydrophobicContact CG1-CB 3.79Å; I246-F283 HydrophobicContact CG1-CD1 4.07Å; I246-F283 HydrophobicContact CG1-CG 4.18Å; I246-L285 HydrophobicContact CB-CD2 4.06Å; I246-L320 HydrophobicContact CD1-CD1 4.47Å; I246-L320 HydrophobicContact CD1-CD2 3.41Å; I246-L320 VanDerWaalsContact CD1-CD2 3.41Å; I246-R457 WeakPolarHBondContact O-CD 3.14Å; I246-R457 PolarHBondContact O-NH1 3.16Å; I246-V459 HydrophobicContact CG2-CG1 4.37Å; I246-Y465 HydrophobicContact CG2-CE1 4.43Å
247K98.2Very high96.6Very high72 Ų7234.2 Ų34.231%0.31321%0.21SC..EExtended strand (participates in β ladder)trans-126.4147.4170.661.1-176.8179-171.60111M245 F283 L284 D286 R457M245-K247 PolarHBondContact O-N 3.26Å; K247-F283 CarbonylContact O-C 3.55Å; K247-F283 VanDerWaalsContact O-CA 3.26Å; K247-F283 WeakPolarHBondContact O-CA 3.42Å; K247-F283 WeakPolarHBondContact O-CB 3.36Å; K247-L284 HydrophobicContact CG-CB 4.23Å; K247-L284 WeakPolarHBondContact CG-O 3.35Å; K247-L284 PolarHBondContact N-O 3.32Å; K247-L284 VanDerWaalsContact N-O 3.08Å; K247-L284 PolarHBondContact O-N 3.17Å; K247-D286 VanDerWaalsContact NZ-CB 3.32Å; K247-D286 IonicContact NZ-OD2 2.73Å; K247-D286 PolarHBondContact NZ-OD2 3.13Å; K247-R457 CarbonylContact C-O 3.57Å; K247-R457 WeakPolarHBondContact CA-O 3.41Å; K247-R457 HydrophobicContact CB-CB 4.44Å
248K98.4Very high96.6Very high82 Ų8234.6 Ų34.636%0.35721%0.212SC..EExtended strand (participates in β ladder)trans-65135.2171.3-176.2176.3-176.9172.60109.6F283 R457 G458K248-F283 HydrophobicContact CB-CD1 4.28Å; K248-F283 HydrophobicContact CB-CE1 4.21Å; K248-F283 HydrophobicContact CG-CE1 4.46Å; K248-R457 PolarHBondContact N-O 2.73Å; K248-G458 WeakPolarHBondContact CB-O 3.46Å
249C98.2Very high96.6Very high6 Ų637.6 Ų37.64%0.04123%0.231CC..  trans-109.9106.6177.8-177.20000108.9V251 L277 I282 L284C249-V251 PolarHBondContact SG-O 2.81Å; C249-L277 VanDerWaalsContact O-CD2 3.24Å; C249-L277 WeakPolarHBondContact O-CD2 3.48Å; C249-I282 HydrophobicContact CB-CG2 4.09Å; C249-I282 PolarHBondContact N-O 2.86Å; C249-L284 HydrophobicContact CB-CB 4.03Å
250S95.1Very high96.6Very high80 Ų8038.7 Ų38.756%0.55924%0.239SC*.SBendtrans-91.5-23.8174.2-550000112.2
251V96.6Very high96.7Very high121 Ų12144.7 Ų44.773%0.73327%0.27SS*.SBendtrans-142.7132179.4-176.70000107.5C249C249-V251 PolarHBondContact SG-O 2.81Å
252L97.6Very high97Very high40 Ų4046.3 Ų46.321%0.20928%0.278CS..  trans-65.2137.2175.6-68.7175.7000110.6V258 L273 L277 L311L252-V258 HydrophobicContact CD1-CB 4.18Å; L252-V258 VanDerWaalsContact CD1-O 3.27Å; L252-V258 WeakPolarHBondContact CD1-O 3.39Å; L252-L273 HydrophobicContact CD1-CD2 3.93Å; L252-L277 HydrophobicContact CG-CD1 4.35Å; L252-L311 HydrophobicContact CD2-CD1 3.6Å; L252-L311 HydrophobicContact CD2-CD2 4.03Å
253P97.6Very high97.2Very high29 Ų2946.2 Ų46.219%0.18828%0.277CS..  trans-57.6139.9170.8-22.232.9000111.4N255 F256 L284 L309P253-N255 WeakPolarHBondContact CB-OD1 3.37Å; P253-N255 PolarHBondContact O-N 3.19Å; P253-N255 VanDerWaalsContact O-N 3.15Å; P253-F256 HydrophobicContact CB-CB 4.28Å; P253-F256 PolarHBondContact O-N 2.84Å; P253-L284 HydrophobicContact CG-CD2 3.51Å; P253-L309 HydrophobicContact CB-CD2 4.44Å; P253-L309 HydrophobicContact CG-CD2 4.16Å
254G97.1Very high97.3Very high83 Ų8349 Ų4986%0.85629%0.29SS*.THydrogen-bonded Turntrans-63-22.1-179.400000113.9F256G254-F256 VanDerWaalsContact C-N 3.32Å
255N97.8Very high97.4Very high52 Ų5251.6 Ų51.628%0.27831%0.312SS..THydrogen-bonded Turntrans-88.56.9174.968-44.8000113.7P253 Q326 Q329P253-N255 WeakPolarHBondContact CB-OD1 3.37Å; P253-N255 PolarHBondContact O-N 3.19Å; P253-N255 VanDerWaalsContact O-N 3.15Å; N255-Q326 PolarHBondContact O-NE2 3.39Å; N255-Q329 WeakPolarHBondContact CB-O 3.33Å; N255-Q329 PolarHBondContact ND2-O 2.6Å; N255-Q329 PolarHBondContact ND2-OE1 2.61Å
256F98.1Very high97.5Very high1 Ų150.5 Ų50.50%0.00431%0.308CS..  trans-128.778.9176.7-168.5-160.2000110.6P253 G254 V258 L284 L309 L311 A324 Q326 I337P253-F256 HydrophobicContact CB-CB 4.28Å; P253-F256 PolarHBondContact O-N 2.84Å; G254-F256 VanDerWaalsContact C-N 3.32Å; F256-V258 HydrophobicContact CD1-CG2 4.23Å; F256-V258 HydrophobicContact CD2-CG2 3.64Å; F256-V258 HydrophobicContact CE1-CG2 4.03Å; F256-V258 HydrophobicContact CE2-CG2 3.36Å; F256-V258 HydrophobicContact CG-CG2 4.07Å; F256-V258 HydrophobicContact CZ-CG2 3.59Å; F256-V258 PolarHBondContact O-N 2.81Å; F256-L284 HydrophobicContact CD1-CD1 4.07Å; F256-L284 HydrophobicContact CE1-CD1 3.96Å; F256-L309 HydrophobicContact CB-CD1 4.34Å; F256-L309 HydrophobicContact CB-CD2 4.16Å; F256-L309 HydrophobicContact CD1-CB 3.68Å; F256-L309 HydrophobicContact CD1-CD2 4.23Å; F256-L309 HydrophobicContact CD1-CG 4.47Å; F256-L309 HydrophobicContact CD2-CB 4.27Å; F256-L309 HydrophobicContact CE1-CB 3.76Å; F256-L309 HydrophobicContact CE2-CB 4.37Å; F256-L309 HydrophobicContact CG-CB 3.94Å; F256-L309 HydrophobicContact CG-CD1 4.48Å; F256-L309 HydrophobicContact CG-CD2 4.4Å; F256-L309 HydrophobicContact CZ-CB 4.12Å; F256-L311 HydrophobicContact CE1-CB 3.83Å; F256-L311 HydrophobicContact CE1-CD1 4.48Å; F256-L311 HydrophobicContact CZ-CB 4.16Å; F256-A324 HydrophobicContact CZ-CB 4.06Å; F256-Q326 HydrophobicContact CD2-CB 3.75Å; F256-Q326 HydrophobicContact CE2-CB 3.56Å; F256-Q326 HydrophobicContact CZ-CB 4.5Å; F256-I337 HydrophobicContact CD2-CD1 4.24Å; F256-I337 HydrophobicContact CE2-CD1 4.32Å; F256-I337 HydrophobicContact CE2-CG1 4.3Å; F256-I337 HydrophobicContact CE2-CG2 4.25Å
257P97.2Very high97.4Very high71 Ų7151.1 Ų51.146%0.46131%0.311SS..  trans-7853.4-168.433.4-37.5000113.5P331 I337P257-P331 HydrophobicContact CG-CB 4.07Å; P257-I337 HydrophobicContact CG-CD1 4.01Å
258V98.1Very high97.3Very high10 Ų1049.3 Ų49.36%0.06131%0.306CS..  trans-71132.1172.8-179.20000109.7L252 F256 V263 L273 L311 A324 I337L252-V258 HydrophobicContact CD1-CB 4.18Å; L252-V258 VanDerWaalsContact CD1-O 3.27Å; L252-V258 WeakPolarHBondContact CD1-O 3.39Å; F256-V258 HydrophobicContact CD1-CG2 4.23Å; F256-V258 HydrophobicContact CD2-CG2 3.64Å; F256-V258 HydrophobicContact CE1-CG2 4.03Å; F256-V258 HydrophobicContact CE2-CG2 3.36Å; F256-V258 HydrophobicContact CG-CG2 4.07Å; F256-V258 HydrophobicContact CZ-CG2 3.59Å; F256-V258 PolarHBondContact O-N 2.81Å; V258-V263 HydrophobicContact CG1-CG1 3.55Å; V258-V263 HydrophobicContact CG1-CG2 4.5Å; V258-L273 HydrophobicContact CG1-CD2 4.04Å; V258-L311 HydrophobicContact CB-CD2 4.49Å; V258-L311 HydrophobicContact CG1-CD2 4.05Å; V258-A324 HydrophobicContact CG1-CB 4.22Å; V258-A324 HydrophobicContact CG2-CB 3.83Å; V258-I337 HydrophobicContact CG2-CD1 4.16Å; V258-I337 HydrophobicContact CG2-CG2 4.3Å
259T97.4Very high97Very high69 Ų6950.3 Ų50.342%0.42333%0.33SS..  trans-107.2160.1175.773.60000111.9D261 M262T259-D261 VanDerWaalsContact C-N 3.25Å; T259-D261 PolarHBondContact O-N 3.09Å; T259-M262 HydrophobicContact CG2-SD 4.27Å; T259-M262 WeakPolarHBondContact O-CB 3.08Å; T259-M262 PolarHBondContact O-N 2.51Å; T259-M262 VanDerWaalsContact O-N 3.11Å; T259-M262 VanDerWaalsContact OG1-CG 3.31Å; T259-M262 WeakPolarHBondContact OG1-CG 3.32Å; T259-M262 PolarHBondContact OG1-N 3.03Å
260S96.9Very high96.9Very high25 Ų2558.6 Ų58.618%0.17537%0.366CS..Hα-helixtrans-53.1-42.5174.2-69.90000112.2M262 V263 Q264S260-M262 VanDerWaalsContact C-N 3.28Å; S260-M262 PolarHBondContact O-N 3.41Å; S260-V263 PolarHBondContact O-N 3.24Å; S260-Q264 WeakPolarHBondContact O-CB 3.26Å; S260-Q264 PolarHBondContact O-N 3.03Å
261D97.6Very high97Very high128 Ų12855.5 Ų55.568%0.68434%0.343SS*.Hα-helixtrans-66.4-28.3-179.2-66.2-15.8000113.2T259 R341T259-D261 VanDerWaalsContact C-N 3.25Å; T259-D261 PolarHBondContact O-N 3.09Å; D261-R341 PolarHBondContact O-NH1 3.27Å; D261-R341 PolarHBondContact O-NH2 2.89Å
262M98.3Very high97Very high39 Ų3951.8 Ų51.819%0.19232%0.319CS..Hα-helixtrans-66-42.3177.4-70.7172.581.500111.5T259 S260 I337 L339 R341T259-M262 HydrophobicContact CG2-SD 4.27Å; T259-M262 WeakPolarHBondContact O-CB 3.08Å; T259-M262 PolarHBondContact O-N 2.51Å; T259-M262 VanDerWaalsContact O-N 3.11Å; T259-M262 VanDerWaalsContact OG1-CG 3.31Å; T259-M262 WeakPolarHBondContact OG1-CG 3.32Å; T259-M262 PolarHBondContact OG1-N 3.03Å; S260-M262 VanDerWaalsContact C-N 3.28Å; S260-M262 PolarHBondContact O-N 3.41Å; M262-I337 HydrophobicContact CE-CB 3.6Å; M262-I337 HydrophobicContact CE-CD1 3.88Å; M262-I337 HydrophobicContact CE-CG1 4.3Å; M262-I337 HydrophobicContact CE-CG2 3.57Å; M262-L339 HydrophobicContact CB-CD1 4.03Å; M262-L339 HydrophobicContact CB-CD2 4.11Å; M262-L339 HydrophobicContact CE-CD1 4.34Å; M262-L339 HydrophobicContact CE-CD2 4.41Å; M262-L339 HydrophobicContact CG-CD1 4.44Å; M262-R341 VanDerWaalsContact O-CZ 3.3Å; M262-R341 PolarHBondContact O-NH1 3.17Å; M262-R341 VanDerWaalsContact O-NH1 3.14Å
263V98.2Very high97Very high0 Ų050 Ų500%031%0.31CS..Hα-helixtrans-105.6-2.7-171.1-59.70000114V258 S260 S265 S266 M267 L273 I323 A324 L339V258-V263 HydrophobicContact CG1-CG1 3.55Å; V258-V263 HydrophobicContact CG1-CG2 4.5Å; S260-V263 PolarHBondContact O-N 3.24Å; V263-S265 PolarHBondContact O-N 2.88Å; V263-S265 VanDerWaalsContact O-N 3.12Å; V263-S266 PolarHBondContact O-N 3.05Å; V263-M267 HydrophobicContact CB-CE 4.35Å; V263-M267 HydrophobicContact CG2-CE 3.74Å; V263-M267 HydrophobicContact CG2-SD 4.42Å; V263-L273 HydrophobicContact CG2-CB 3.95Å; V263-L273 HydrophobicContact CG2-CD1 4.27Å; V263-L273 HydrophobicContact CG2-CD2 3.93Å; V263-L273 HydrophobicContact CG2-CG 4.28Å; V263-I323 HydrophobicContact CB-CB 4.46Å; V263-I323 HydrophobicContact CB-CD1 4.01Å; V263-I323 HydrophobicContact CG1-CB 4.31Å; V263-I323 HydrophobicContact CG1-CD1 4.07Å; V263-I323 HydrophobicContact CG1-CG1 4.29Å; V263-I323 HydrophobicContact CG2-CD1 4.31Å; V263-A324 HydrophobicContact CG1-CB 4.11Å; V263-L339 HydrophobicContact CG1-CD2 4.29Å
264Q97.6Very high97Very high59 Ų5952.9 Ų52.928%0.27632%0.324SS..G310 helixtrans-55.8-32.8-178.1-173.660.668.300113.2S260 S266 M267 T271S260-Q264 WeakPolarHBondContact O-CB 3.26Å; S260-Q264 PolarHBondContact O-N 3.03Å; Q264-S266 PolarHBondContact O-N 2.75Å; Q264-M267 PolarHBondContact O-N 2.87Å; Q264-T271 PolarHBondContact NE2-O 3.34Å; Q264-T271 PolarHBondContact OE1-O 2.93Å
265S96.1Very high97Very high77 Ų7754.3 Ų54.354%0.53831%0.306SS..G310 helixtrans-66.8-20.6177.851.80000113.7V263 M267V263-S265 PolarHBondContact O-N 2.88Å; V263-S265 VanDerWaalsContact O-N 3.12Å; S265-M267 VanDerWaalsContact C-N 3.34Å
266S96.9Very high97Very high17 Ų1752.7 Ų52.712%0.11930%0.297CS..G310 helixtrans-94.17177.5-50.60000112.6V263 Q264 I323V263-S266 PolarHBondContact O-N 3.05Å; Q264-S266 PolarHBondContact O-N 2.75Å; S266-I323 VanDerWaalsContact CB-CG2 3.48Å
267M96.7Very high97Very high13 Ų1353.6 Ų53.66%0.06430%0.302CS..SBendtrans-129.8149.7-176.2-63-177.9-177.200111.2V263 Q264 S265 T271 L273 E276 I282 Y313 I323V263-M267 HydrophobicContact CB-CE 4.35Å; V263-M267 HydrophobicContact CG2-CE 3.74Å; V263-M267 HydrophobicContact CG2-SD 4.42Å; Q264-M267 PolarHBondContact O-N 2.87Å; S265-M267 VanDerWaalsContact C-N 3.34Å; M267-T271 HydrophobicContact CB-CG2 3.98Å; M267-L273 HydrophobicContact CE-CB 4.3Å; M267-L273 HydrophobicContact CE-CD1 3.96Å; M267-E276 HydrophobicContact SD-CG 4.18Å; M267-I282 HydrophobicContact CE-CD1 3.75Å; M267-Y313 HydrophobicContact CB-CE1 4.4Å; M267-Y313 HydrophobicContact CE-CG 4.46Å; M267-Y313 HydrophobicContact CG-CD1 4.04Å; M267-Y313 HydrophobicContact CG-CE1 3.96Å; M267-I323 HydrophobicContact CE-CD1 3.59Å
268P95.5Very high97Very high33 Ų3359 Ų5921%0.21432%0.318CS..  trans-57.8142.1172.3-25.634.5000112.5K270 T271 P316P268-K270 HydrophobicContact CB-CG 4.19Å; P268-K270 PolarHBondContact O-N 2.93Å; P268-T271 WeakPolarHBondContact O-CG2 3.02Å; P268-T271 PolarHBondContact O-N 3.22Å; P268-P316 HydrophobicContact CG-CG 4.2Å
269A93.4Very high96.9Very high104 Ų10461.6 Ų61.686%0.8634%0.341SS*.THydrogen-bonded Turntrans-57.7-19.9-176.800000115.2T271A269-T271 VanDerWaalsContact C-N 3.3Å
270K94.4Very high96.8Very high180 Ų18058.7 Ų58.778%0.78332%0.324SS*.THydrogen-bonded Turntrans-77.6-12.8177.764.1-178.8178.9-177.30114P268 K275P268-K270 HydrophobicContact CB-CG 4.19Å; P268-K270 PolarHBondContact O-N 2.93Å; K270-K275 PolarHBondContact O-NZ 3.23Å
271T97.1Very high96.9Very high14 Ų1460.1 Ų60.19%0.08633%0.33CS..  trans-125.8173-177.5-155.40000111.8Q264 M267 P268 A269 E276Q264-T271 PolarHBondContact NE2-O 3.34Å; Q264-T271 PolarHBondContact OE1-O 2.93Å; M267-T271 HydrophobicContact CB-CG2 3.98Å; P268-T271 WeakPolarHBondContact O-CG2 3.02Å; P268-T271 PolarHBondContact O-N 3.22Å; A269-T271 VanDerWaalsContact C-N 3.3Å; T271-E276 WeakPolarHBondContact CB-OE1 3.3Å; T271-E276 HydrophobicContact CG2-CG 3.82Å; T271-E276 WeakPolarHBondContact CG2-OE1 3.2Å; T271-E276 WeakPolarHBondContact OG1-CG 3.26Å; T271-E276 PolarHBondContact OG1-OE1 2.59Å
272N97.2Very high96.9Very high43 Ų4354 Ų5423%0.2330%0.297CS..  trans-153.3173.3174.463.520.2000109.6D274 K275 E276N272-D274 VanDerWaalsContact C-N 3.32Å; N272-D274 PolarHBondContact O-N 2.97Å; N272-D274 PolarHBondContact OD1-N 3.44Å; N272-K275 PolarHBondContact O-N 3.35Å; N272-K275 VanDerWaalsContact O-N 3.13Å; N272-K275 WeakPolarHBondContact OD1-CB 3.19Å; N272-K275 VanDerWaalsContact OD1-CG 3.29Å; N272-K275 WeakPolarHBondContact OD1-CG 3.46Å; N272-K275 PolarHBondContact OD1-N 3.01Å; N272-E276 WeakPolarHBondContact O-CG 3.27Å; N272-E276 PolarHBondContact O-N 2.66Å
273L98.1Very high96.9Very high3 Ų352.6 Ų52.62%0.01629%0.29CS..Hα-helixtrans-55.1-43.9-176.1-178.157.7000113L252 V258 V263 M267 K275 E276 L277 I282 L311L252-L273 HydrophobicContact CD1-CD2 3.93Å; V258-L273 HydrophobicContact CG1-CD2 4.04Å; V263-L273 HydrophobicContact CG2-CB 3.95Å; V263-L273 HydrophobicContact CG2-CD1 4.27Å; V263-L273 HydrophobicContact CG2-CD2 3.93Å; V263-L273 HydrophobicContact CG2-CG 4.28Å; M267-L273 HydrophobicContact CE-CB 4.3Å; M267-L273 HydrophobicContact CE-CD1 3.96Å; L273-K275 VanDerWaalsContact C-N 3.35Å; L273-K275 PolarHBondContact O-N 2.94Å; L273-E276 PolarHBondContact O-N 3.14Å; L273-L277 HydrophobicContact CD1-CD1 4.28Å; L273-L277 HydrophobicContact CD1-CG 4.17Å; L273-L277 HydrophobicContact CG-CD1 4.03Å; L273-L277 HydrophobicContact CG-CG 4.41Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 3.29Å; L273-I282 HydrophobicContact CD1-CD1 3.9Å; L273-I282 HydrophobicContact CD1-CG1 4.05Å; L273-I282 HydrophobicContact CD1-CG2 4.45Å; L273-L311 HydrophobicContact CD1-CD2 4.08Å
274D96.9Very high97Very high89 Ų8952.9 Ų52.948%0.47629%0.291SS..Hα-helixtrans-62.9-39.3179.8-65.8-40000113.1N272 K278N272-D274 VanDerWaalsContact C-N 3.32Å; N272-D274 PolarHBondContact O-N 2.97Å; N272-D274 PolarHBondContact OD1-N 3.44Å; D274-K278 WeakPolarHBondContact O-CG 3.37Å; D274-K278 PolarHBondContact O-N 3.32Å
275K97.3Very high97Very high114 Ų11450.1 Ų50.150%0.49628%0.279SS..Hα-helixtrans-68-43.2175.9-73.9172.1179.2176.80110.8K270 N272 L273 K278 A279K270-K275 PolarHBondContact O-NZ 3.23Å; N272-K275 PolarHBondContact O-N 3.35Å; N272-K275 VanDerWaalsContact O-N 3.13Å; N272-K275 WeakPolarHBondContact OD1-CB 3.19Å; N272-K275 VanDerWaalsContact OD1-CG 3.29Å; N272-K275 WeakPolarHBondContact OD1-CG 3.46Å; N272-K275 PolarHBondContact OD1-N 3.01Å; L273-K275 VanDerWaalsContact C-N 3.35Å; L273-K275 PolarHBondContact O-N 2.94Å; K275-K278 PolarHBondContact O-N 3.47Å; K275-A279 WeakPolarHBondContact O-CB 3.28Å; K275-A279 PolarHBondContact O-N 3.37Å
276E98Very high97.1Very high18 Ų1848.2 Ų48.28%0.08426%0.263CS..Hα-helixtrans-71.7-33.6-178.2-64.6-56150.200113M267 T271 N272 L273 A279 G280 N281 I282 Y313M267-E276 HydrophobicContact SD-CG 4.18Å; T271-E276 WeakPolarHBondContact CB-OE1 3.3Å; T271-E276 HydrophobicContact CG2-CG 3.82Å; T271-E276 WeakPolarHBondContact CG2-OE1 3.2Å; T271-E276 WeakPolarHBondContact OG1-CG 3.26Å; T271-E276 PolarHBondContact OG1-OE1 2.59Å; N272-E276 WeakPolarHBondContact O-CG 3.27Å; N272-E276 PolarHBondContact O-N 2.66Å; L273-E276 PolarHBondContact O-N 3.14Å; E276-A279 PolarHBondContact O-N 2.75Å; E276-G280 PolarHBondContact O-N 2.84Å; E276-N281 HydrophobicContact CB-CB 4.45Å; E276-N281 PolarHBondContact O-N 3.11Å; E276-N281 VanDerWaalsContact OE2-CB 3.26Å; E276-N281 WeakPolarHBondContact OE2-CB 3.33Å; E276-N281 PolarHBondContact OE2-ND2 2.74Å; E276-I282 HydrophobicContact CB-CD1 3.82Å; E276-I282 HydrophobicContact CB-CG1 3.78Å; E276-Y313 HydrophobicContact CB-CD2 4.5Å; E276-Y313 HydrophobicContact CB-CE2 4.15Å; E276-Y313 HydrophobicContact CG-CD2 4.4Å; E276-Y313 HydrophobicContact CG-CE2 3.68Å; E276-Y313 WeakPolarHBondContact OE2-CE2 3.11Å
277L97.7Very high97.2Very high20 Ų2047.5 Ų47.511%0.10526%0.257CS..Hα-helixtrans-58.7-47.5169.3-77.6166.5000110.8C249 L252 L273 G280 I282C249-L277 VanDerWaalsContact O-CD2 3.24Å; C249-L277 WeakPolarHBondContact O-CD2 3.48Å; L252-L277 HydrophobicContact CG-CD1 4.35Å; L273-L277 HydrophobicContact CD1-CD1 4.28Å; L273-L277 HydrophobicContact CD1-CG 4.17Å; L273-L277 HydrophobicContact CG-CD1 4.03Å; L273-L277 HydrophobicContact CG-CG 4.41Å; L273-L277 WeakPolarHBondContact O-CB 3.43Å; L273-L277 VanDerWaalsContact O-CG 3.3Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 3.29Å; L277-G280 PolarHBondContact O-N 3.09Å; L277-G280 VanDerWaalsContact O-N 3.16Å; L277-I282 HydrophobicContact CD2-CB 3.88Å; L277-I282 HydrophobicContact CD2-CG1 4.17Å; L277-I282 HydrophobicContact CD2-CG2 3.9Å; L277-I282 HydrophobicContact CG-CB 4.41Å; L277-I282 HydrophobicContact CG-CG1 4.15Å
278K96.7Very high97.3Very high185 Ų18548.8 Ų48.880%0.80427%0.27SS*.Hα-helixtrans-67.2-37.2177.7-71.1172.2-175.4172.70112.6D274 K275 G280D274-K278 WeakPolarHBondContact O-CG 3.37Å; D274-K278 PolarHBondContact O-N 3.32Å; K275-K278 PolarHBondContact O-N 3.47Å; K278-G280 PolarHBondContact O-N 2.66Å
279A96.2Very high97.4Very high64 Ų6449 Ų4953%0.52927%0.269SS..Hα-helixtrans-69.4-19.817500000112.2K275 E276K275-A279 WeakPolarHBondContact O-CB 3.28Å; K275-A279 PolarHBondContact O-N 3.37Å; E276-A279 PolarHBondContact O-N 2.75Å
280G96.9Very high97.6Very high8 Ų844 Ų448%0.08223%0.228CC..THydrogen-bonded Turntrans82.424.9179.800000114.1E276 L277 K278E276-G280 PolarHBondContact O-N 2.84Å; L277-G280 PolarHBondContact O-N 3.09Å; L277-G280 VanDerWaalsContact O-N 3.16Å; K278-G280 PolarHBondContact O-N 2.66Å
281N97.8Very high97.8Very high55 Ų5538.8 Ų38.829%0.29421%0.209SC..  trans-963.7-178.8-65.9-30.9000113.2E276 Y313 Q314E276-N281 HydrophobicContact CB-CB 4.45Å; E276-N281 PolarHBondContact O-N 3.11Å; E276-N281 VanDerWaalsContact OE2-CB 3.26Å; E276-N281 WeakPolarHBondContact OE2-CB 3.33Å; E276-N281 PolarHBondContact OE2-ND2 2.74Å; N281-Y313 HydrophobicContact CB-CD2 4.18Å; N281-Y313 HydrophobicContact CB-CE2 3.9Å; N281-Y313 WeakPolarHBondContact O-CD2 3.4Å; N281-Q314 HydrophobicContact CB-CB 4.3Å; N281-Q314 PolarHBondContact O-N 3.09Å
282I98.6Very high97.8Very high0 Ų041.2 Ų41.20%024%0.236CC..EExtended strand (participates in β ladder)trans-107134.8179.6-55.8-66.2000109.7C249 M267 L273 E276 L277 L311 L312 Y313 I323C249-I282 HydrophobicContact CB-CG2 4.09Å; C249-I282 PolarHBondContact N-O 2.86Å; M267-I282 HydrophobicContact CE-CD1 3.75Å; L273-I282 HydrophobicContact CD1-CD1 3.9Å; L273-I282 HydrophobicContact CD1-CG1 4.05Å; L273-I282 HydrophobicContact CD1-CG2 4.45Å; E276-I282 HydrophobicContact CB-CD1 3.82Å; E276-I282 HydrophobicContact CB-CG1 3.78Å; L277-I282 HydrophobicContact CD2-CB 3.88Å; L277-I282 HydrophobicContact CD2-CG1 4.17Å; L277-I282 HydrophobicContact CD2-CG2 3.9Å; L277-I282 HydrophobicContact CG-CB 4.41Å; L277-I282 HydrophobicContact CG-CG1 4.15Å; I282-L311 HydrophobicContact CG2-CD1 3.48Å; I282-L311 VanDerWaalsContact CG2-CD1 3.48Å; I282-L311 HydrophobicContact CG2-CD2 4.28Å; I282-L311 HydrophobicContact CG2-CG 3.85Å; I282-L312 WeakPolarHBondContact CA-O 3.21Å; I282-Y313 HydrophobicContact CD1-CD2 3.77Å; I282-Y313 HydrophobicContact CD1-CG 4.3Å; I282-I323 HydrophobicContact CD1-CD1 4.24Å
283F98.8Very high97.8Very high9 Ų939.7 Ų39.74%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-129.5160.8-178-57.4-92.2000110.1I246 K247 K248 L312 Q314 L320 V459 V462I246-F283 HydrophobicContact CD1-CB 3.88Å; I246-F283 HydrophobicContact CD1-CD1 3.95Å; I246-F283 HydrophobicContact CD1-CG 3.91Å; I246-F283 HydrophobicContact CG1-CB 3.79Å; I246-F283 HydrophobicContact CG1-CD1 4.07Å; I246-F283 HydrophobicContact CG1-CG 4.18Å; K247-F283 CarbonylContact O-C 3.55Å; K247-F283 VanDerWaalsContact O-CA 3.26Å; K247-F283 WeakPolarHBondContact O-CA 3.42Å; K247-F283 WeakPolarHBondContact O-CB 3.36Å; K248-F283 HydrophobicContact CB-CD1 4.28Å; K248-F283 HydrophobicContact CB-CE1 4.21Å; K248-F283 HydrophobicContact CG-CE1 4.46Å; F283-L312 HydrophobicContact CB-CB 4.29Å; F283-L312 PolarHBondContact N-O 2.99Å; F283-L312 PolarHBondContact O-N 3.29Å; F283-Q314 HydrophobicContact CE2-CB 3.94Å; F283-L320 HydrophobicContact CD2-CD1 3.66Å; F283-L320 HydrophobicContact CE2-CD1 4.24Å; F283-L320 HydrophobicContact CG-CD1 4.32Å; F283-V459 HydrophobicContact CD1-CG1 4.15Å; F283-V459 HydrophobicContact CE1-CG1 4.17Å; F283-V462 HydrophobicContact CD1-CG2 4.34Å; F283-V462 HydrophobicContact CE1-CG2 3.39Å; F283-V462 HydrophobicContact CZ-CG2 3.58Å
284L98.8Very high97.8Very high5 Ų542.3 Ų42.33%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-134.2135-177.5-178.863.6000109.5K247 C249 P253 F256 D286 L309 C310K247-L284 HydrophobicContact CG-CB 4.23Å; K247-L284 WeakPolarHBondContact CG-O 3.35Å; K247-L284 PolarHBondContact N-O 3.32Å; K247-L284 VanDerWaalsContact N-O 3.08Å; K247-L284 PolarHBondContact O-N 3.17Å; C249-L284 HydrophobicContact CB-CB 4.03Å; P253-L284 HydrophobicContact CG-CD2 3.51Å; F256-L284 HydrophobicContact CD1-CD1 4.07Å; F256-L284 HydrophobicContact CE1-CD1 3.96Å; L284-D286 HydrophobicContact CD2-CB 4.22Å; L284-D286 HydrophobicContact CG-CB 4.16Å; L284-L309 HydrophobicContact CD1-CB 4.34Å; L284-L309 HydrophobicContact CD1-CD2 4.41Å; L284-C310 WeakPolarHBondContact CA-O 3.3Å
285L98.8Very high97.8Very high1 Ų140.2 Ų40.21%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-100.6128.2155.8-53.7165.7000107F233 M245 I246 Y287 L309 C310 L312 V354F233-L285 HydrophobicContact CE1-CD1 4.43Å; M245-L285 HydrophobicContact CB-CD2 3.76Å; I246-L285 HydrophobicContact CB-CD2 4.06Å; L285-Y287 HydrophobicContact CB-CD2 4.38Å; L285-Y287 HydrophobicContact CB-CE2 3.67Å; L285-Y287 HydrophobicContact CD1-CE2 4.45Å; L285-L309 WeakPolarHBondContact O-CA 2.94Å; L285-C310 HydrophobicContact CB-CB 4.15Å; L285-C310 HydrophobicContact CD1-CB 4.19Å; L285-C310 PolarHBondContact N-O 2.73Å; L285-C310 PolarHBondContact O-N 3.3Å; L285-L312 HydrophobicContact CD1-CD1 4.01Å; L285-L312 HydrophobicContact CG-CD1 3.69Å; L285-V354 HydrophobicContact CD1-CG1 4.19Å
286D98.4Very high97.9Very high38 Ų3834.9 Ų34.920%0.20322%0.217CC..EExtended strand (participates in β ladder)trans-132106.4-174.8-178.4-0.6000109.1K247 L284 A288 Q329K247-D286 VanDerWaalsContact NZ-CB 3.32Å; K247-D286 IonicContact NZ-OD2 2.73Å; K247-D286 PolarHBondContact NZ-OD2 3.13Å; L284-D286 HydrophobicContact CD2-CB 4.22Å; L284-D286 HydrophobicContact CG-CB 4.16Å; D286-A288 VanDerWaalsContact C-N 3.32Å; D286-A288 VanDerWaalsContact OD1-CB 3.31Å; D286-A288 WeakPolarHBondContact OD1-CB 3.44Å; D286-A288 PolarHBondContact OD1-N 3.48Å; D286-A288 VanDerWaalsContact OD1-N 3.12Å; D286-Q329 PolarHBondContact OD1-NE2 3.42Å
287Y98.4Very high97.8Very high1 Ų137.6 Ų37.60%0.00424%0.235CC..  trans-97.328.9-177.7-63.3-88.8000111.9M245 L285 I289 M290 P308 V354 E358 V361M245-Y287 HydrophobicContact CE-CD1 4.24Å; M245-Y287 HydrophobicContact CE-CE1 4.13Å; M245-Y287 HydrophobicContact CG-CE1 4.23Å; L285-Y287 HydrophobicContact CB-CD2 4.38Å; L285-Y287 HydrophobicContact CB-CE2 3.67Å; L285-Y287 HydrophobicContact CD1-CE2 4.45Å; Y287-I289 PolarHBondContact O-N 2.95Å; Y287-M290 VanDerWaalsContact O-CB 3.26Å; Y287-M290 WeakPolarHBondContact O-CB 3.31Å; Y287-M290 PolarHBondContact O-N 2.79Å; Y287-P308 HydrophobicContact CD2-CG 3.74Å; Y287-P308 WeakPolarHBondContact CD2-O 3.13Å; Y287-P308 HydrophobicContact CE2-CG 4.45Å; Y287-P308 HydrophobicContact CG-CG 4.22Å; Y287-P308 PolarHBondContact N-O 3.03Å; Y287-V354 HydrophobicContact CE2-CG1 3.77Å; Y287-E358 HydrophobicContact CE1-CB 4.28Å; Y287-E358 WeakPolarHBondContact CE1-OE2 3.38Å; Y287-E358 WeakPolarHBondContact OH-CB 3.37Å; Y287-E358 PolarHBondContact OH-OE2 3.39Å; Y287-V361 HydrophobicContact CD1-CB 4.45Å; Y287-V361 HydrophobicContact CD1-CG2 3.86Å; Y287-V361 HydrophobicContact CE1-CB 4.38Å; Y287-V361 HydrophobicContact CE1-CG2 4.28Å
288A98.2Very high97.7Very high40 Ų4037.1 Ų37.133%0.33123%0.232SC..G310 helixtrans-51.2-27.4175.900000113.9D286 M290 D291 Q329D286-A288 VanDerWaalsContact C-N 3.32Å; D286-A288 VanDerWaalsContact OD1-CB 3.31Å; D286-A288 WeakPolarHBondContact OD1-CB 3.44Å; D286-A288 PolarHBondContact OD1-N 3.48Å; D286-A288 VanDerWaalsContact OD1-N 3.12Å; A288-M290 PolarHBondContact O-N 3.06Å; A288-M290 VanDerWaalsContact O-N 3.14Å; A288-D291 VanDerWaalsContact O-CB 3.25Å; A288-D291 WeakPolarHBondContact O-CB 3.17Å; A288-D291 PolarHBondContact O-N 2.94Å; A288-Q329 HydrophobicContact CB-CG 4.23Å
289I97.4Very high97.5Very high37 Ų3736.2 Ų36.219%0.1923%0.228CC..G310 helixtrans-59.7-23.8175.4-162164.1000113.4Y287 V361 L365 L435 R438 E439Y287-I289 PolarHBondContact O-N 2.95Å; I289-V361 HydrophobicContact CG2-CG2 4.03Å; I289-L365 HydrophobicContact CD1-CD1 3.74Å; I289-L365 HydrophobicContact CG1-CD1 4.45Å; I289-L365 HydrophobicContact CG2-CD1 4.21Å; I289-L435 HydrophobicContact CG1-CD1 3.98Å; I289-L435 HydrophobicContact CG2-CD1 4.25Å; I289-R438 HydrophobicContact CD1-CB 4.25Å; I289-R438 HydrophobicContact CG1-CB 3.93Å; I289-R438 WeakPolarHBondContact O-CD 2.86Å; I289-R438 PolarHBondContact O-NH1 3.4Å; I289-E439 HydrophobicContact CD1-CB 3.92Å; I289-E439 WeakPolarHBondContact CD1-OE2 3.44Å
290M97.9Very high97.3Very high1 Ų136.4 Ų36.41%0.00524%0.237CC..G310 helixtrans-83.6-11.5177.5-61.9-64.4-57.700113.6Y287 A288 G292 I293 I305 A307 Q360 V361 T427 L435Y287-M290 VanDerWaalsContact O-CB 3.26Å; Y287-M290 WeakPolarHBondContact O-CB 3.31Å; Y287-M290 PolarHBondContact O-N 2.79Å; A288-M290 PolarHBondContact O-N 3.06Å; A288-M290 VanDerWaalsContact O-N 3.14Å; M290-G292 PolarHBondContact O-N 3.44Å; M290-I293 WeakPolarHBondContact O-CB 3.19Å; M290-I293 VanDerWaalsContact O-CG1 3.24Å; M290-I293 WeakPolarHBondContact O-CG1 3.37Å; M290-I293 PolarHBondContact O-N 3.21Å; M290-I293 VanDerWaalsContact O-N 3.12Å; M290-I305 HydrophobicContact CB-CG2 4.39Å; M290-I305 HydrophobicContact CE-CG2 3.53Å; M290-A307 HydrophobicContact CB-CB 4.06Å; M290-Q360 HydrophobicContact CE-CB 3.54Å; M290-Q360 HydrophobicContact CE-CG 3.72Å; M290-Q360 HydrophobicContact SD-CB 3.95Å; M290-V361 HydrophobicContact CG-CG2 4.02Å; M290-V361 HydrophobicContact SD-CG2 3.81Å; M290-T427 HydrophobicContact CE-CG2 3.69Å; M290-L435 HydrophobicContact CE-CD2 4.08Å; M290-L435 HydrophobicContact SD-CD1 3.66Å; M290-L435 HydrophobicContact SD-CD2 3.4Å; M290-L435 WeakPolarHBondContact SD-CD2 3.42Å; M290-L435 HydrophobicContact SD-CG 4.19Å
291D97.8Very high97.2Very high70 Ų7041.4 Ų41.437%0.37426%0.256SS..THydrogen-bonded Turntrans-64.6126.9-171.2-174.930.5000112.3A288 I293 A307 Q329 R438A288-D291 VanDerWaalsContact O-CB 3.25Å; A288-D291 WeakPolarHBondContact O-CB 3.17Å; A288-D291 PolarHBondContact O-N 2.94Å; D291-I293 PolarHBondContact O-N 3.23Å; D291-A307 HydrophobicContact CB-CB 3.86Å; D291-Q329 HydrophobicContact CB-CG 3.91Å; D291-R438 VanDerWaalsContact O-CZ 3.27Å; D291-R438 PolarHBondContact O-NH1 3.34Å; D291-R438 PolarHBondContact O-NH2 3.1Å
292G97.1Very high97.2Very high64 Ų6442.6 Ų42.666%0.6627%0.266SS*.THydrogen-bonded Turntrans64.117.6-176.400000115.3M290M290-G292 PolarHBondContact O-N 3.44Å
293I98.1Very high97.2Very high11 Ų1142.9 Ų42.96%0.05627%0.268CS..PPolyproline II helixtrans-66.4129.3170.4-67.5-64.5000109.4M290 D291 A295 I305 T427 I434 L435M290-I293 WeakPolarHBondContact O-CB 3.19Å; M290-I293 VanDerWaalsContact O-CG1 3.24Å; M290-I293 WeakPolarHBondContact O-CG1 3.37Å; M290-I293 PolarHBondContact O-N 3.21Å; M290-I293 VanDerWaalsContact O-N 3.12Å; D291-I293 PolarHBondContact O-N 3.23Å; I293-A295 PolarHBondContact O-N 3.38Å; I293-I305 HydrophobicContact CB-CD1 4.31Å; I293-I305 HydrophobicContact CG2-CD1 3.83Å; I293-T427 HydrophobicContact CG2-CG2 4.24Å; I293-I434 HydrophobicContact CD1-CB 4.2Å; I293-I434 HydrophobicContact CD1-CG2 3.6Å; I293-L435 HydrophobicContact CD1-CB 3.98Å; I293-L435 HydrophobicContact CD1-CD1 4.29Å; I293-L435 HydrophobicContact CG1-CB 4.47Å; I293-L435 HydrophobicContact CG1-CD1 4.3Å
294P97.7Very high97.2Very high59 Ų5945.2 Ų45.238%0.38328%0.278SS..PPolyproline II helixtrans-59.8123.8175.7-25.135000111.7G431 I434P294-G431 WeakPolarHBondContact O-CA 3.09Å; P294-I434 HydrophobicContact CG-CD1 3.77Å
295A97.8Very high97.1Very high44 Ų4446 Ų4636%0.36428%0.282SS..PPolyproline II helixtrans-78.1148.7175.400000111.7I293 Q303 I305I293-A295 PolarHBondContact O-N 3.38Å; A295-Q303 WeakPolarHBondContact CB-O 3.28Å; A295-I305 HydrophobicContact CB-CD1 4.06Å; A295-I305 HydrophobicContact CB-CG1 4.07Å
296N97.9Very high97.1Very high3 Ų346 Ų462%0.01628%0.282CS..PPolyproline II helixtrans-70.4157.9-179.3-165.46.4000111.7I298 Q303 K422 V425 S426 G428N296-I298 HydrophobicContact CB-CG1 4.44Å; N296-I298 WeakPolarHBondContact ND2-CG1 3.42Å; N296-Q303 HydrophobicContact CB-CG 4.47Å; N296-Q303 WeakPolarHBondContact O-CB 3.46Å; N296-Q303 WeakPolarHBondContact O-CG 3.25Å; N296-Q303 PolarHBondContact O-N 3.46Å; N296-K422 PolarHBondContact ND2-O 3.09Å; N296-K422 WeakPolarHBondContact OD1-CD 3.46Å; N296-K422 WeakPolarHBondContact OD1-CE 3.43Å; N296-K422 PolarHBondContact OD1-NZ 3.04Å; N296-V425 WeakPolarHBondContact CB-O 3.45Å; N296-V425 PolarHBondContact ND2-O 2.96Å; N296-S426 WeakPolarHBondContact CB-O 3.3Å; N296-S426 PolarHBondContact N-O 2.96Å; N296-G428 WeakPolarHBondContact CB-O 3.32Å; N296-G428 PolarHBondContact OD1-O 3.27Å
297T97Very high97.1Very high75 Ų7544.3 Ų44.346%0.4627%0.273SS..EExtended strand (participates in β ladder)trans-113.6115.5165.1-63.50000108.6K301T297-K301 WeakPolarHBondContact CA-O 3.44Å
298I95.4Very high97.1Very high10 Ų1044.2 Ų44.25%0.05127%0.273CS..EExtended strand (participates in β ladder)trans-108.7117.1-176.3-62.6176000108.6N296 G300 K301 Q303 R423 V424N296-I298 HydrophobicContact CB-CG1 4.44Å; N296-I298 WeakPolarHBondContact ND2-CG1 3.42Å; I298-G300 PolarHBondContact O-N 3.3Å; I298-K301 PolarHBondContact N-O 3.23Å; I298-K301 WeakPolarHBondContact O-CB 3.39Å; I298-K301 PolarHBondContact O-N 3.34Å; I298-Q303 HydrophobicContact CB-CG 4.19Å; I298-Q303 HydrophobicContact CD1-CG 3.53Å; I298-Q303 HydrophobicContact CG1-CG 3.71Å; I298-R423 WeakPolarHBondContact CG2-O 3.43Å; I298-V424 VanDerWaalsContact CD1-C 3.44Å
299K91.4Very high97.1Very high166 Ų16642.3 Ų42.372%0.72226%0.257SS*.THydrogen-bonded Turntrans50.841.1-177.4-58.7176.3-179.11720112.8K301K299-K301 VanDerWaalsContact C-N 3.26Å; K299-K301 PolarHBondContact O-N 2.82Å
300G92.9Very high97.2Very high68 Ų6840.6 Ų40.670%0.70125%0.248SC*.THydrogen-bonded Turntrans77.12.7-179.100000115.3I298I298-G300 PolarHBondContact O-N 3.3Å
301K95.4Very high97.3Very high113 Ų11340.5 Ų40.549%0.49125%0.248SC..EExtended strand (participates in β ladder)trans-102.3127.3176.8-61-177.5-179-179.70110.5T297 I298 K299 Q303T297-K301 WeakPolarHBondContact CA-O 3.44Å; I298-K301 PolarHBondContact N-O 3.23Å; I298-K301 WeakPolarHBondContact O-CB 3.39Å; I298-K301 PolarHBondContact O-N 3.34Å; K299-K301 VanDerWaalsContact C-N 3.26Å; K299-K301 PolarHBondContact O-N 2.82Å; K301-Q303 PolarHBondContact O-N 3.01Å; K301-Q303 PolarHBondContact O-NE2 3.24Å; K301-Q303 VanDerWaalsContact O-NE2 3.16Å
302P97.3Very high97.3Very high79 Ų7937.2 Ų37.251%0.51323%0.23SC..EExtended strand (participates in β ladder)trans-61.9138.9174.827.2-33.6000109.8F304P302-F304 HydrophobicContact CB-CE2 4.47Å; P302-F304 HydrophobicContact CB-CZ 4.45Å; P302-F304 HydrophobicContact CG-CE2 4.44Å; P302-F304 HydrophobicContact CG-CZ 4.4Å
303Q98.2Very high97.4Very high6 Ų634.4 Ų34.43%0.02820%0.2CC..PPolyproline II helixtrans-102170.8165.5-51.4-56.2-87.500108.8A295 N296 I298 K301 T567 M568 Q593A295-Q303 WeakPolarHBondContact CB-O 3.28Å; N296-Q303 HydrophobicContact CB-CG 4.47Å; N296-Q303 WeakPolarHBondContact O-CB 3.46Å; N296-Q303 WeakPolarHBondContact O-CG 3.25Å; N296-Q303 PolarHBondContact O-N 3.46Å; I298-Q303 HydrophobicContact CB-CG 4.19Å; I298-Q303 HydrophobicContact CD1-CG 3.53Å; I298-Q303 HydrophobicContact CG1-CG 3.71Å; K301-Q303 PolarHBondContact O-N 3.01Å; K301-Q303 PolarHBondContact O-NE2 3.24Å; K301-Q303 VanDerWaalsContact O-NE2 3.16Å; Q303-T567 WeakPolarHBondContact CG-OG1 3.34Å; Q303-T567 PolarHBondContact OE1-OG1 2.81Å; Q303-M568 CarbonylContact C-O 3.28Å; Q303-M568 WeakPolarHBondContact CA-O 3.15Å; Q303-Q593 VanDerWaalsContact OE1-NE2 3.15Å
304F98.5Very high97.4Very high59 Ų5935.3 Ų35.326%0.25920%0.204SC..BIsolated β-bridgetrans-130.9152.7-175.1-62.5-91.9000110.8P302 W353 H356 S426 M568 R569 L570 P571P302-F304 HydrophobicContact CB-CE2 4.47Å; P302-F304 HydrophobicContact CB-CZ 4.45Å; P302-F304 HydrophobicContact CG-CE2 4.44Å; P302-F304 HydrophobicContact CG-CZ 4.4Å; F304-W353 HydrophobicContact CB-CH2 3.73Å; F304-W353 HydrophobicContact CB-CZ3 4.43Å; F304-H356 PolarHBondContact O-CE1 2.68Å; F304-S426 WeakPolarHBondContact O-CB 3.37Å; F304-S426 PolarHBondContact O-OG 3.11Å; F304-M568 PolarHBondContact N-O 3.38Å; F304-R569 VanDerWaalsContact CD2-C 3.47Å; F304-R569 VanDerWaalsContact CE2-O 3.29Å; F304-R569 WeakPolarHBondContact CE2-O 3.23Å; F304-L570 WeakPolarHBondContact CB-O 3.17Å; F304-L570 WeakPolarHBondContact CD2-O 3.26Å; F304-L570 WeakPolarHBondContact CG-O 3.42Å; F304-P571 HydrophobicContact CD1-CB 3.75Å; F304-P571 HydrophobicContact CE1-CB 3.82Å; F304-P571 HydrophobicContact CE1-CG 4.23Å; F304-P571 HydrophobicContact CG-CB 4.4Å
305I98.3Very high97.3Very high22 Ų2233.3 Ų33.311%0.11319%0.189CC..  trans-134.3142178.9-66.2173.2000106.5M290 I293 A295 T427M290-I305 HydrophobicContact CB-CG2 4.39Å; M290-I305 HydrophobicContact CE-CG2 3.53Å; I293-I305 HydrophobicContact CB-CD1 4.31Å; I293-I305 HydrophobicContact CG2-CD1 3.83Å; A295-I305 HydrophobicContact CB-CD1 4.06Å; A295-I305 HydrophobicContact CB-CG1 4.07Å; I305-T427 HydrophobicContact CD1-CG2 3.69Å
306A97.9Very high97.1Very high1 Ų135.3 Ų35.31%0.00820%0.198CC..  trans-116.8158.7170.200000109.8P308 L327 W353 S357 P572A306-P308 WeakPolarHBondContact O-CD 3.29Å; A306-L327 WeakPolarHBondContact CB-O 3.19Å; A306-W353 HydrophobicContact CB-CD2 4.24Å; A306-W353 HydrophobicContact CB-CE3 3.48Å; A306-W353 VanDerWaalsContact CB-CE3 3.48Å; A306-W353 HydrophobicContact CB-CZ3 3.88Å; A306-S357 PolarHBondContact O-OG 3.26Å; A306-P572 HydrophobicContact CB-CG 3.99Å
307A98.4Very high96.8Very high1 Ų141.7 Ų41.71%0.00823%0.233CC..  trans-121.668.4173.800000111.4M290 D291 L327 Q329M290-A307 HydrophobicContact CB-CB 4.06Å; D291-A307 HydrophobicContact CB-CB 3.86Å; A307-L327 CarbonylContact C-O 3.58Å; A307-L327 PolarHBondContact N-O 3.05Å; A307-L327 VanDerWaalsContact N-O 3.15Å; A307-Q329 HydrophobicContact CB-CG 3.92Å; A307-Q329 PolarHBondContact O-NE2 3.16Å
308P98.6Very high96.5Very high0 Ų042.5 Ų42.50%023%0.231CC..  trans-72.4154.9-166.824.5-31.8000114.6Y287 A306 Q326 L327 V354 S357Y287-P308 HydrophobicContact CD2-CG 3.74Å; Y287-P308 WeakPolarHBondContact CD2-O 3.13Å; Y287-P308 HydrophobicContact CE2-CG 4.45Å; Y287-P308 HydrophobicContact CG-CG 4.22Å; Y287-P308 PolarHBondContact N-O 3.03Å; A306-P308 WeakPolarHBondContact O-CD 3.29Å; P308-Q326 CarbonylContact C-O 3.6Å; P308-Q326 WeakPolarHBondContact CA-O 3.17Å; P308-Q326 WeakPolarHBondContact CB-O 3.49Å; P308-L327 HydrophobicContact CB-CD2 4.29Å; P308-V354 HydrophobicContact CB-CG2 3.95Å; P308-V354 HydrophobicContact CG-CB 4.47Å; P308-V354 HydrophobicContact CG-CG2 4.13Å; P308-S357 WeakPolarHBondContact CD-OG 3.5Å; P308-S357 WeakPolarHBondContact CG-OG 3.43Å
309L98.9Very high96.5Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-109.4126.4159.1-62.2117.5000108.4P253 F256 L284 L285 I325 Q326P253-L309 HydrophobicContact CB-CD2 4.44Å; P253-L309 HydrophobicContact CG-CD2 4.16Å; F256-L309 HydrophobicContact CB-CD1 4.34Å; F256-L309 HydrophobicContact CB-CD2 4.16Å; F256-L309 HydrophobicContact CD1-CB 3.68Å; F256-L309 HydrophobicContact CD1-CD2 4.23Å; F256-L309 HydrophobicContact CD1-CG 4.47Å; F256-L309 HydrophobicContact CD2-CB 4.27Å; F256-L309 HydrophobicContact CE1-CB 3.76Å; F256-L309 HydrophobicContact CE2-CB 4.37Å; F256-L309 HydrophobicContact CG-CB 3.94Å; F256-L309 HydrophobicContact CG-CD1 4.48Å; F256-L309 HydrophobicContact CG-CD2 4.4Å; F256-L309 HydrophobicContact CZ-CB 4.12Å; L284-L309 HydrophobicContact CD1-CB 4.34Å; L284-L309 HydrophobicContact CD1-CD2 4.41Å; L285-L309 WeakPolarHBondContact O-CA 2.94Å; L309-I325 CarbonylContact O-C 3.54Å; L309-I325 WeakPolarHBondContact O-CA 3.2Å; L309-Q326 PolarHBondContact N-O 2.97Å; L309-Q326 PolarHBondContact O-N 3.45Å
310C98.9Very high96.8Very high0 Ų035.5 Ų35.50%021%0.207CC..EExtended strand (participates in β ladder)trans-124.3115.3178178.30000110.1L284 L285 L312 A324 I325 V354L284-C310 WeakPolarHBondContact CA-O 3.3Å; L285-C310 HydrophobicContact CB-CB 4.15Å; L285-C310 HydrophobicContact CD1-CB 4.19Å; L285-C310 PolarHBondContact N-O 2.73Å; L285-C310 PolarHBondContact O-N 3.3Å; C310-L312 WeakPolarHBondContact O-CD1 3.35Å; C310-A324 CarbonylContact C-O 3.57Å; C310-A324 WeakPolarHBondContact CA-O 3.34Å; C310-I325 HydrophobicContact CB-CG1 4.13Å; C310-V354 HydrophobicContact CB-CG1 4.2Å; C310-V354 HydrophobicContact CB-CG2 4.11Å
311L98.9Very high97Very high0 Ų032.7 Ų32.70%018%0.176CC..EExtended strand (participates in β ladder)trans-85.7130.5176.1-160.470000109.3L252 F256 V258 L273 I282 I323 A324L252-L311 HydrophobicContact CD2-CD1 3.6Å; L252-L311 HydrophobicContact CD2-CD2 4.03Å; F256-L311 HydrophobicContact CE1-CB 3.83Å; F256-L311 HydrophobicContact CE1-CD1 4.48Å; F256-L311 HydrophobicContact CZ-CB 4.16Å; V258-L311 HydrophobicContact CB-CD2 4.49Å; V258-L311 HydrophobicContact CG1-CD2 4.05Å; L273-L311 HydrophobicContact CD1-CD2 4.08Å; I282-L311 HydrophobicContact CG2-CD1 3.48Å; I282-L311 VanDerWaalsContact CG2-CD1 3.48Å; I282-L311 HydrophobicContact CG2-CD2 4.28Å; I282-L311 HydrophobicContact CG2-CG 3.85Å; L311-I323 HydrophobicContact CB-CG1 4.06Å; L311-I323 HydrophobicContact CD2-CD1 3.72Å; L311-I323 HydrophobicContact CD2-CG1 4.06Å; L311-I323 HydrophobicContact CG-CD1 4.05Å; L311-I323 HydrophobicContact CG-CG1 4.07Å; L311-I323 WeakPolarHBondContact O-CG1 3.27Å; L311-I323 PolarHBondContact O-N 3.37Å; L311-A324 HydrophobicContact CB-CB 4.09Å; L311-A324 PolarHBondContact N-O 3.24Å; L311-A324 PolarHBondContact O-N 3.23Å
312L98.9Very high97.2Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-119.8149.8177.1-54.696.5000110.9F233 I282 F283 L285 C310 L320 I321F233-L312 HydrophobicContact CE1-CD2 4.34Å; I282-L312 WeakPolarHBondContact CA-O 3.21Å; F283-L312 HydrophobicContact CB-CB 4.29Å; F283-L312 PolarHBondContact N-O 2.99Å; F283-L312 PolarHBondContact O-N 3.29Å; L285-L312 HydrophobicContact CD1-CD1 4.01Å; L285-L312 HydrophobicContact CG-CD1 3.69Å; C310-L312 WeakPolarHBondContact O-CD1 3.35Å; L312-L320 HydrophobicContact CB-CD1 3.83Å; L312-L320 HydrophobicContact CB-CG 4.13Å; L312-L320 HydrophobicContact CD2-CD2 4Å; L312-L320 HydrophobicContact CD2-CG 3.99Å; L312-I321 CarbonylContact C-O 3.55Å; L312-I321 WeakPolarHBondContact CA-O 3.23Å; L312-I321 WeakPolarHBondContact CB-O 3.43Å
313Y98.5Very high97.3Very high6 Ų623.5 Ų23.52%0.02413%0.128CC..EExtended strand (participates in β ladder)trans-121.8130.8175.8174.1-135.1000109.9M267 E276 N281 I282 H315 L320 I321M267-Y313 HydrophobicContact CB-CE1 4.4Å; M267-Y313 HydrophobicContact CE-CG 4.46Å; M267-Y313 HydrophobicContact CG-CD1 4.04Å; M267-Y313 HydrophobicContact CG-CE1 3.96Å; E276-Y313 HydrophobicContact CB-CD2 4.5Å; E276-Y313 HydrophobicContact CB-CE2 4.15Å; E276-Y313 HydrophobicContact CG-CD2 4.4Å; E276-Y313 HydrophobicContact CG-CE2 3.68Å; E276-Y313 WeakPolarHBondContact OE2-CE2 3.11Å; N281-Y313 HydrophobicContact CB-CD2 4.18Å; N281-Y313 HydrophobicContact CB-CE2 3.9Å; N281-Y313 WeakPolarHBondContact O-CD2 3.4Å; I282-Y313 HydrophobicContact CD1-CD2 3.77Å; I282-Y313 HydrophobicContact CD1-CG 4.3Å; Y313-H315 VanDerWaalsContact C-N 3.28Å; Y313-H315 HydrophobicContact CD1-CB 4.02Å; Y313-H315 AromaticContact CD1-CD2 3.98Å; Y313-H315 HydrophobicContact CE1-CB 4.05Å; Y313-H315 AromaticContact CE1-CD2 3.58Å; Y313-H315 PolarHBondContact O-N 2.64Å; Y313-L320 WeakPolarHBondContact O-CA 3.39Å; Y313-I321 PolarHBondContact N-O 3Å; Y313-I321 PolarHBondContact O-N 2.93Å
314Q97.9Very high97.3Very high29 Ų2923.2 Ų23.214%0.13613%0.127CC..EExtended strand (participates in β ladder)trans-74.884.7166.7-176.864.252.900108.7N281 F283 L320 P463N281-Q314 HydrophobicContact CB-CB 4.3Å; N281-Q314 PolarHBondContact O-N 3.09Å; F283-Q314 HydrophobicContact CE2-CB 3.94Å; Q314-L320 HydrophobicContact CB-CD1 4.47Å; Q314-P463 HydrophobicContact CG-CG 4.42Å
315H96.6Very high97.3Very high17 Ų1720.4 Ų20.48%0.07911%0.114CC..EExtended strand (participates in β ladder)trans-67.1136.6177.4-166.5-88.5000110Y313 D317 E318 G319 I321Y313-H315 VanDerWaalsContact C-N 3.28Å; Y313-H315 HydrophobicContact CD1-CB 4.02Å; Y313-H315 AromaticContact CD1-CD2 3.98Å; Y313-H315 HydrophobicContact CE1-CB 4.05Å; Y313-H315 AromaticContact CE1-CD2 3.58Å; Y313-H315 PolarHBondContact O-N 2.64Å; H315-D317 VanDerWaalsContact C-N 3.26Å; H315-D317 IonicContact CE1-OD2 3.81Å; H315-D317 PolarHBondContact ND1-N 3.43Å; H315-D317 VanDerWaalsContact ND1-N 3.13Å; H315-D317 PolarHBondContact O-N 3.29Å; H315-E318 HydrophobicContact CB-CB 4Å; H315-E318 IonicContact CE1-OE1 3.85Å; H315-E318 PolarHBondContact ND1-N 3.46Å; H315-E318 IonicContact ND1-OE1 3.7Å; H315-G319 WeakPolarHBondContact CA-O 3.43Å; H315-G319 VanDerWaalsContact CB-O 3.28Å; H315-G319 WeakPolarHBondContact CB-O 3.39Å; H315-G319 PolarHBondContact N-O 2.87Å; H315-G319 PolarHBondContact O-N 3.08Å; H315-G319 VanDerWaalsContact O-N 3.16Å; H315-I321 HydrophobicContact CB-CD1 3.94Å; H315-I321 HydrophobicContact CB-CG1 4.12Å
316P92.9Very high97.3Very high86 Ų8619.4 Ų19.456%0.55811%0.109SC*.THydrogen-bonded Turntrans-61.4-33.2-178.322.5-34.1000113.4P268P268-P316 HydrophobicContact CG-CG 4.2Å
317D92.1Very high97.4Very high137 Ų13719.6 Ų19.673%0.73311%0.11SC*.THydrogen-bonded Turntrans-105-27.4-174.5-52.6-52.8000113.5H315H315-D317 VanDerWaalsContact C-N 3.26Å; H315-D317 IonicContact CE1-OD2 3.81Å; H315-D317 PolarHBondContact ND1-N 3.43Å; H315-D317 VanDerWaalsContact ND1-N 3.13Å; H315-D317 PolarHBondContact O-N 3.29Å
318E91.2Very high97.3Very high92 Ų9222 Ų2243%0.4312%0.121SC..THydrogen-bonded Turntrans-104-11.6-171.4-63.7-177.6-121.500112.2R231 H315 I321R231-E318 WeakPolarHBondContact CD-O 3.21Å; R231-E318 WeakPolarHBondContact CG-O 3.26Å; R231-E318 PolarHBondContact NE-O 3.43Å; H315-E318 HydrophobicContact CB-CB 4Å; H315-E318 IonicContact CE1-OE1 3.85Å; H315-E318 PolarHBondContact ND1-N 3.46Å; H315-E318 IonicContact ND1-OE1 3.7Å; E318-I321 HydrophobicContact CB-CG2 4Å
319G94.1Very high97.3Very high22 Ų2222.8 Ų22.823%0.22712%0.124CC..EExtended strand (participates in β ladder)trans78.8-154.8-169.400000111.6H315 I321H315-G319 WeakPolarHBondContact CA-O 3.43Å; H315-G319 VanDerWaalsContact CB-O 3.28Å; H315-G319 WeakPolarHBondContact CB-O 3.39Å; H315-G319 PolarHBondContact N-O 2.87Å; H315-G319 PolarHBondContact O-N 3.08Å; H315-G319 VanDerWaalsContact O-N 3.16Å; G319-I321 PolarHBondContact O-N 2.64Å
320L97.8Very high97.1Very high8 Ų827.4 Ų27.44%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-73124.3179.9-168.970.8000110.2G234 C237 L238 I246 F283 L312 Y313 Q314G234-L320 WeakPolarHBondContact CA-O 3.43Å; C237-L320 HydrophobicContact CB-CD2 4.27Å; L238-L320 HydrophobicContact CD1-CB 4.39Å; L238-L320 HydrophobicContact CD1-CD2 4.06Å; L238-L320 HydrophobicContact CD2-CD2 4.09Å; L238-L320 HydrophobicContact CG-CD2 3.9Å; I246-L320 HydrophobicContact CD1-CD1 4.47Å; I246-L320 HydrophobicContact CD1-CD2 3.41Å; I246-L320 VanDerWaalsContact CD1-CD2 3.41Å; F283-L320 HydrophobicContact CD2-CD1 3.66Å; F283-L320 HydrophobicContact CE2-CD1 4.24Å; F283-L320 HydrophobicContact CG-CD1 4.32Å; L312-L320 HydrophobicContact CB-CD1 3.83Å; L312-L320 HydrophobicContact CB-CG 4.13Å; L312-L320 HydrophobicContact CD2-CD2 4Å; L312-L320 HydrophobicContact CD2-CG 3.99Å; Y313-L320 WeakPolarHBondContact O-CA 3.39Å; Q314-L320 HydrophobicContact CB-CD1 4.47Å
321I98.4Very high96.8Very high8 Ų830 Ų304%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-134145.4179.658.5172.6000111.8D230 L312 Y313 H315 E318 G319 I323D230-I321 HydrophobicContact CB-CB 4.37Å; D230-I321 HydrophobicContact CB-CG2 4.37Å; L312-I321 CarbonylContact C-O 3.55Å; L312-I321 WeakPolarHBondContact CA-O 3.23Å; L312-I321 WeakPolarHBondContact CB-O 3.43Å; Y313-I321 PolarHBondContact N-O 3Å; Y313-I321 PolarHBondContact O-N 2.93Å; H315-I321 HydrophobicContact CB-CD1 3.94Å; H315-I321 HydrophobicContact CB-CG1 4.12Å; E318-I321 HydrophobicContact CB-CG2 4Å; G319-I321 PolarHBondContact O-N 2.64Å; I321-I323 HydrophobicContact CD1-CG2 4.46Å; I321-I323 HydrophobicContact CG1-CG2 4.25Å
322P98.8Very high96.4Very high0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-70.3136.7170.229.7-35.2000111.4D230 F233 W347 K351D230-P322 HydrophobicContact CB-CG 4.04Å; D230-P322 VanDerWaalsContact O-CD 3.24Å; D230-P322 WeakPolarHBondContact O-CD 3.43Å; F233-P322 HydrophobicContact CB-CG 4.27Å; F233-P322 HydrophobicContact CD1-CB 3.81Å; F233-P322 HydrophobicContact CD1-CG 3.49Å; F233-P322 VanDerWaalsContact CD1-CG 3.49Å; F233-P322 HydrophobicContact CE1-CB 3.8Å; F233-P322 HydrophobicContact CE1-CG 4Å; F233-P322 HydrophobicContact CG-CG 3.99Å; P322-W347 HydrophobicContact CB-CH2 4.03Å; P322-W347 HydrophobicContact CB-CZ2 3.88Å; P322-W347 HydrophobicContact CG-CH2 4.48Å; P322-W347 HydrophobicContact CG-CZ2 3.84Å; P322-K351 HydrophobicContact CG-CD 4.24Å
323I98.8Very high95.5Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-124.8-18.7-178.158.7164.7000114V263 S266 M267 I282 L311 I321 L339 P340V263-I323 HydrophobicContact CB-CB 4.46Å; V263-I323 HydrophobicContact CB-CD1 4.01Å; V263-I323 HydrophobicContact CG1-CB 4.31Å; V263-I323 HydrophobicContact CG1-CD1 4.07Å; V263-I323 HydrophobicContact CG1-CG1 4.29Å; V263-I323 HydrophobicContact CG2-CD1 4.31Å; S266-I323 VanDerWaalsContact CB-CG2 3.48Å; M267-I323 HydrophobicContact CE-CD1 3.59Å; I282-I323 HydrophobicContact CD1-CD1 4.24Å; L311-I323 HydrophobicContact CB-CG1 4.06Å; L311-I323 HydrophobicContact CD2-CD1 3.72Å; L311-I323 HydrophobicContact CD2-CG1 4.06Å; L311-I323 HydrophobicContact CG-CD1 4.05Å; L311-I323 HydrophobicContact CG-CG1 4.07Å; L311-I323 WeakPolarHBondContact O-CG1 3.27Å; L311-I323 PolarHBondContact O-N 3.37Å; I321-I323 HydrophobicContact CD1-CG2 4.46Å; I321-I323 HydrophobicContact CG1-CG2 4.25Å; I323-L339 WeakPolarHBondContact O-CD2 3.1Å; I323-P340 VanDerWaalsContact O-CD 3.26Å; I323-P340 WeakPolarHBondContact O-CD 2.97Å
324A98.9Very high95.1Very high0 Ų047.9 Ų47.90%027%0.265CS..EExtended strand (participates in β ladder)trans-156142.217300000110.9F256 V258 V263 C310 L311 I337 F338 L339F256-A324 HydrophobicContact CZ-CB 4.06Å; V258-A324 HydrophobicContact CG1-CB 4.22Å; V258-A324 HydrophobicContact CG2-CB 3.83Å; V263-A324 HydrophobicContact CG1-CB 4.11Å; C310-A324 CarbonylContact C-O 3.57Å; C310-A324 WeakPolarHBondContact CA-O 3.34Å; L311-A324 HydrophobicContact CB-CB 4.09Å; L311-A324 PolarHBondContact N-O 3.24Å; L311-A324 PolarHBondContact O-N 3.23Å; A324-I337 HydrophobicContact CB-CG2 3.99Å; A324-F338 CarbonylContact C-O 3.49Å; A324-F338 WeakPolarHBondContact CA-O 3.37Å; A324-L339 HydrophobicContact CB-CD2 3.96Å
325I98.9Very high94.7Very high0 Ų047.7 Ų47.70%027%0.266CS..EExtended strand (participates in β ladder)trans-134.3126.3177.1-64.2171.8000109.7L309 C310 L327 I337 F338 W347 A350 K351 V354L309-I325 CarbonylContact O-C 3.54Å; L309-I325 WeakPolarHBondContact O-CA 3.2Å; C310-I325 HydrophobicContact CB-CG1 4.13Å; I325-L327 HydrophobicContact CG2-CD2 3.57Å; I325-L327 HydrophobicContact CG2-CG 4.37Å; I325-I337 CarbonylContact O-C 3.53Å; I325-I337 WeakPolarHBondContact O-CA 3.48Å; I325-F338 HydrophobicContact CB-CB 4.4Å; I325-F338 PolarHBondContact N-O 3.48Å; I325-F338 PolarHBondContact O-N 2.81Å; I325-W347 HydrophobicContact CB-CZ3 4.11Å; I325-W347 HydrophobicContact CD1-CE3 4.38Å; I325-W347 HydrophobicContact CD1-CH2 3.63Å; I325-W347 HydrophobicContact CD1-CZ2 4.41Å; I325-W347 HydrophobicContact CD1-CZ3 3.61Å; I325-W347 HydrophobicContact CG1-CH2 3.82Å; I325-W347 HydrophobicContact CG1-CZ3 3.76Å; I325-A350 HydrophobicContact CB-CB 4.35Å; I325-A350 HydrophobicContact CD1-CB 4.24Å; I325-A350 HydrophobicContact CG2-CB 4.15Å; I325-K351 HydrophobicContact CD1-CG 3.77Å; I325-V354 HydrophobicContact CD1-CG2 3.86Å; I325-V354 HydrophobicContact CG1-CG2 4.13Å; I325-V354 HydrophobicContact CG2-CG2 3.64Å
326Q98.7Very high94.8Very high1 Ų148 Ų481%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-111.7129.3165.1-170.9177.9-75.100107.7N255 F256 P308 L309 E328 T335 I337N255-Q326 PolarHBondContact O-NE2 3.39Å; F256-Q326 HydrophobicContact CD2-CB 3.75Å; F256-Q326 HydrophobicContact CE2-CB 3.56Å; F256-Q326 HydrophobicContact CZ-CB 4.5Å; P308-Q326 CarbonylContact C-O 3.6Å; P308-Q326 WeakPolarHBondContact CA-O 3.17Å; P308-Q326 WeakPolarHBondContact CB-O 3.49Å; L309-Q326 PolarHBondContact N-O 2.97Å; L309-Q326 PolarHBondContact O-N 3.45Å; Q326-E328 WeakPolarHBondContact CG-O 3.37Å; Q326-E328 PolarHBondContact NE2-O 3.17Å; Q326-T335 HydrophobicContact CG-CG2 3.65Å; Q326-I337 HydrophobicContact CB-CG1 4.26Å; Q326-I337 HydrophobicContact CG-CG1 4.38Å
327L98.4Very high95Very high4 Ų444.7 Ų44.72%0.02125%0.247CC..SBendtrans-83.6-19.3-170.5-64-178.2000114.4A306 A307 P308 I325 F338 A350 W353 P572 P573A306-L327 WeakPolarHBondContact CB-O 3.19Å; A307-L327 CarbonylContact C-O 3.58Å; A307-L327 PolarHBondContact N-O 3.05Å; A307-L327 VanDerWaalsContact N-O 3.15Å; P308-L327 HydrophobicContact CB-CD2 4.29Å; I325-L327 HydrophobicContact CG2-CD2 3.57Å; I325-L327 HydrophobicContact CG2-CG 4.37Å; L327-F338 HydrophobicContact CD1-CD2 4.3Å; L327-F338 HydrophobicContact CD1-CE2 3.67Å; L327-F338 HydrophobicContact CD1-CZ 4.25Å; L327-F338 HydrophobicContact CG-CD2 4.16Å; L327-F338 HydrophobicContact CG-CE2 3.88Å; L327-A350 HydrophobicContact CD2-CB 4.5Å; L327-W353 HydrophobicContact CD1-CB 4.22Å; L327-W353 HydrophobicContact CD1-CG 4.06Å; L327-W353 HydrophobicContact CD2-CB 3.51Å; L327-W353 HydrophobicContact CD2-CG 4.22Å; L327-W353 HydrophobicContact CG-CB 4.48Å; L327-P572 HydrophobicContact CB-CB 4.16Å; L327-P572 HydrophobicContact CD1-CB 3.9Å; L327-P573 HydrophobicContact CD1-CG 4.21Å
328E97.3Very high95.3Very high51 Ų5138.2 Ų38.224%0.23821%0.212CC..SBendtrans-124.2160.4176.6-58.9-62.9166.700111.6Q326 T335Q326-E328 WeakPolarHBondContact CG-O 3.37Å; Q326-E328 PolarHBondContact NE2-O 3.17Å; E328-T335 HydrophobicContact CB-CG2 3.7Å; E328-T335 HydrophobicContact CG-CG2 4.25Å
329Q97.8Very high95.7Very high17 Ų1734 Ų348%0.07919%0.193CC..SBendtrans-73.3-27.5-178.6-72.9-63.9-5100113.6N255 D286 A288 D291 A307N255-Q329 WeakPolarHBondContact CB-O 3.33Å; N255-Q329 PolarHBondContact ND2-O 2.6Å; N255-Q329 PolarHBondContact ND2-OE1 2.61Å; D286-Q329 PolarHBondContact OD1-NE2 3.42Å; A288-Q329 HydrophobicContact CB-CG 4.23Å; D291-Q329 HydrophobicContact CB-CG 3.91Å; A307-Q329 HydrophobicContact CB-CG 3.92Å; A307-Q329 PolarHBondContact O-NE2 3.16Å
330T96.1Very high95.9Very high97 Ų9734.9 Ų34.960%0.59519%0.194SC*.SBendtrans-98.7118.3-178.2-58.70000109.7D332T330-D332 PolarHBondContact O-N 2.88Å
331P92.3Very high95.9Very high56 Ų5641 Ų4136%0.36422%0.217SC..  trans-70.1130.2176.928.3-32.7000110.2P257P257-P331 HydrophobicContact CG-CB 4.07Å
332D89Confident95.9Very high104 Ų10442 Ų4256%0.55622%0.222SC*.  trans-151.8167.8178.9-155.7-17000110T330 D334 T335T330-D332 PolarHBondContact O-N 2.88Å; D332-D334 PolarHBondContact O-N 3.39Å; D332-T335 CarbonylContact O-C 3.48Å; D332-T335 PolarHBondContact O-N 2.89Å
333L81.6Confident95.8Very high162 Ų16244.2 Ų44.285%0.84824%0.237SC*.THydrogen-bonded Turntrans-55.7-36173-70.4173.2000111.9T335L333-T335 VanDerWaalsContact C-N 3.31Å
334D88.9Confident95.8Very high114 Ų11449.5 Ų49.561%0.6127%0.271SS*.THydrogen-bonded Turntrans-860.7177.9-66.2-37000113.4D332 P336 S574D332-D334 PolarHBondContact O-N 3.39Å; D334-P336 VanDerWaalsContact C-CD 3.43Å; D334-P336 VanDerWaalsContact O-CD 3.3Å; D334-P336 WeakPolarHBondContact O-CD 3.49Å; D334-S574 WeakPolarHBondContact O-CA 3.08Å; D334-S574 VanDerWaalsContact O-CB 3.28Å; D334-S574 WeakPolarHBondContact O-CB 3.03Å
335T91.1Very high95.8Very high25 Ų2552 Ų5215%0.15328%0.284CS..SBendtrans-118.873.4176.6-53.40000110Q326 E328 D332 L333Q326-T335 HydrophobicContact CG-CG2 3.65Å; E328-T335 HydrophobicContact CB-CG2 3.7Å; E328-T335 HydrophobicContact CG-CG2 4.25Å; D332-T335 CarbonylContact O-C 3.48Å; D332-T335 PolarHBondContact O-N 2.89Å; L333-T335 VanDerWaalsContact C-N 3.31Å
336P96.8Very high95.8Very high24 Ų2452 Ų5216%0.15628%0.284CS..  trans-67149.3-177.627.6-34.9000112.2D334 F338 K576D334-P336 VanDerWaalsContact C-CD 3.43Å; D334-P336 VanDerWaalsContact O-CD 3.3Å; D334-P336 WeakPolarHBondContact O-CD 3.49Å; P336-F338 HydrophobicContact CG-CE1 4.39Å; P336-F338 HydrophobicContact CG-CE2 3.76Å; P336-F338 HydrophobicContact CG-CZ 3.62Å; P336-F338 WeakPolarHBondContact O-CD2 3.02Å; P336-F338 WeakPolarHBondContact O-CE2 3.28Å; P336-K576 HydrophobicContact CB-CD 4.5Å; P336-K576 HydrophobicContact CB-CG 4.2Å; P336-K576 HydrophobicContact CG-CG 4.3Å
337I98.4Very high95.8Very high17 Ų1752.6 Ų52.69%0.08729%0.286CS..EExtended strand (participates in β ladder)trans-86.1110.4166.9-62.6174.5000108.3F256 P257 V258 M262 A324 I325 Q326 L339 K576F256-I337 HydrophobicContact CD2-CD1 4.24Å; F256-I337 HydrophobicContact CE2-CD1 4.32Å; F256-I337 HydrophobicContact CE2-CG1 4.3Å; F256-I337 HydrophobicContact CE2-CG2 4.25Å; P257-I337 HydrophobicContact CG-CD1 4.01Å; V258-I337 HydrophobicContact CG2-CD1 4.16Å; V258-I337 HydrophobicContact CG2-CG2 4.3Å; M262-I337 HydrophobicContact CE-CB 3.6Å; M262-I337 HydrophobicContact CE-CD1 3.88Å; M262-I337 HydrophobicContact CE-CG1 4.3Å; M262-I337 HydrophobicContact CE-CG2 3.57Å; A324-I337 HydrophobicContact CB-CG2 3.99Å; I325-I337 CarbonylContact O-C 3.53Å; I325-I337 WeakPolarHBondContact O-CA 3.48Å; Q326-I337 HydrophobicContact CB-CG1 4.26Å; Q326-I337 HydrophobicContact CG-CG1 4.38Å; I337-L339 HydrophobicContact CG2-CD2 4.2Å; I337-K576 VanDerWaalsContact O-CE 3.22Å; I337-K576 WeakPolarHBondContact O-CE 3.29Å; I337-K576 PolarHBondContact O-NZ 3.35Å
338F98.7Very high95.8Very high0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-75.7141.8175.2-60.2-93.2000111.2A324 I325 L327 P336 D342 A346 W347 A350 P573 K576A324-F338 CarbonylContact C-O 3.49Å; A324-F338 WeakPolarHBondContact CA-O 3.37Å; I325-F338 HydrophobicContact CB-CB 4.4Å; I325-F338 PolarHBondContact N-O 3.48Å; I325-F338 PolarHBondContact O-N 2.81Å; L327-F338 HydrophobicContact CD1-CD2 4.3Å; L327-F338 HydrophobicContact CD1-CE2 3.67Å; L327-F338 HydrophobicContact CD1-CZ 4.25Å; L327-F338 HydrophobicContact CG-CD2 4.16Å; L327-F338 HydrophobicContact CG-CE2 3.88Å; P336-F338 HydrophobicContact CG-CE1 4.39Å; P336-F338 HydrophobicContact CG-CE2 3.76Å; P336-F338 HydrophobicContact CG-CZ 3.62Å; P336-F338 WeakPolarHBondContact O-CD2 3.02Å; P336-F338 WeakPolarHBondContact O-CE2 3.28Å; F338-D342 VanDerWaalsContact CA-OD2 3.26Å; F338-D342 WeakPolarHBondContact CA-OD2 3.29Å; F338-A346 HydrophobicContact CD1-CB 4.26Å; F338-A346 HydrophobicContact CE1-CB 4.27Å; F338-W347 HydrophobicContact CB-CE3 4.01Å; F338-W347 HydrophobicContact CB-CZ3 4.17Å; F338-W347 WeakPolarHBondContact O-CZ3 3.41Å; F338-A350 HydrophobicContact CB-CB 3.62Å; F338-A350 HydrophobicContact CD1-CB 3.96Å; F338-A350 HydrophobicContact CD2-CB 3.84Å; F338-A350 HydrophobicContact CG-CB 3.52Å; F338-P573 HydrophobicContact CE1-CG 4.21Å; F338-P573 HydrophobicContact CZ-CB 4.4Å; F338-P573 HydrophobicContact CZ-CG 3.73Å; F338-K576 HydrophobicContact CD1-CD 4.46Å; F338-K576 HydrophobicContact CD1-CG 4.05Å; F338-K576 HydrophobicContact CE1-CB 4.47Å; F338-K576 HydrophobicContact CE1-CG 3.76Å; F338-K576 HydrophobicContact CZ-CG 4.47Å
339L98.7Very high95.9Very high5 Ų550.7 Ų50.73%0.02628%0.277CS..  trans-131.2153.9-177.3-58.5171.8000110.1M262 V263 I323 A324 I337 R341 D342 W347M262-L339 HydrophobicContact CB-CD1 4.03Å; M262-L339 HydrophobicContact CB-CD2 4.11Å; M262-L339 HydrophobicContact CE-CD1 4.34Å; M262-L339 HydrophobicContact CE-CD2 4.41Å; M262-L339 HydrophobicContact CG-CD1 4.44Å; V263-L339 HydrophobicContact CG1-CD2 4.29Å; I323-L339 WeakPolarHBondContact O-CD2 3.1Å; A324-L339 HydrophobicContact CB-CD2 3.96Å; I337-L339 HydrophobicContact CG2-CD2 4.2Å; L339-R341 HydrophobicContact CB-CG 4.07Å; L339-R341 HydrophobicContact CD1-CG 4.46Å; L339-R341 PolarHBondContact O-N 3.08Å; L339-D342 PolarHBondContact N-OD2 2.9Å; L339-D342 VanDerWaalsContact O-CB 3.27Å; L339-D342 WeakPolarHBondContact O-CB 3.17Å; L339-D342 PolarHBondContact O-N 3.41Å; L339-W347 VanDerWaalsContact C-CE3 3.42Å
340P98.4Very high95.9Very high39 Ų3949.9 Ų49.925%0.25327%0.273SS..THydrogen-bonded Turntrans-56.6-23.1176.1-26.132.8000115.1I323 W347I323-P340 VanDerWaalsContact O-CD 3.26Å; I323-P340 WeakPolarHBondContact O-CD 2.97Å; P340-W347 HydrophobicContact CB-CZ2 4.32Å; P340-W347 HydrophobicContact CG-CH2 4.04Å; P340-W347 HydrophobicContact CG-CZ2 3.61Å
341R97.2Very high96Very high138 Ų13845.6 Ų45.652%0.52125%0.247SC..THydrogen-bonded Turntrans-86-7.9179.170.7-177.5-178.2-154.44.8114.8D261 M262 L339D261-R341 PolarHBondContact O-NH1 3.27Å; D261-R341 PolarHBondContact O-NH2 2.89Å; M262-R341 VanDerWaalsContact O-CZ 3.3Å; M262-R341 PolarHBondContact O-NH1 3.17Å; M262-R341 VanDerWaalsContact O-NH1 3.14Å; L339-R341 HydrophobicContact CB-CG 4.07Å; L339-R341 HydrophobicContact CD1-CG 4.46Å; L339-R341 PolarHBondContact O-N 3.08Å
342D98.4Very high96.3Very high27 Ų2743.1 Ų43.114%0.14423%0.23CC..SBendtrans-68.2171.4176.5-70.9-24.5000110.8F338 L339 K576F338-D342 VanDerWaalsContact CA-OD2 3.26Å; F338-D342 WeakPolarHBondContact CA-OD2 3.29Å; L339-D342 PolarHBondContact N-OD2 2.9Å; L339-D342 VanDerWaalsContact O-CB 3.27Å; L339-D342 WeakPolarHBondContact O-CB 3.17Å; L339-D342 PolarHBondContact O-N 3.41Å; D342-K576 HydrophobicContact CB-CD 4.43Å; D342-K576 VanDerWaalsContact CG-NZ 3.31Å; D342-K576 IonicContact OD1-NZ 2.97Å; D342-K576 PolarHBondContact OD1-NZ 3.46Å; D342-K576 WeakPolarHBondContact OD2-CD 3.37Å; D342-K576 VanDerWaalsContact OD2-CE 3.28Å; D342-K576 WeakPolarHBondContact OD2-CE 3.14Å; D342-K576 IonicContact OD2-NZ 2.66Å; D342-K576 PolarHBondContact OD2-NZ 3.18Å
343P98.4Very high96.8Very high48 Ų4838.1 Ų38.131%0.31220%0.204SC..  trans-47.4132.3175.2-30.837000111.9L345 A346 W347P343-L345 PolarHBondContact O-N 2.98Å; P343-A346 HydrophobicContact CB-CB 4.26Å; P343-A346 WeakPolarHBondContact O-CA 3.04Å; P343-A346 WeakPolarHBondContact O-CB 3.07Å; P343-A346 PolarHBondContact O-N 3.4Å; P343-W347 PolarHBondContact O-N 3.44Å; P343-W347 VanDerWaalsContact O-N 3.14Å
344P98.3Very high97.6Very high111 Ų11130.5 Ų30.572%0.72116%0.164SC*.Hα-helixtrans-55.3-34.1-168.4-30.935.2000115L348P344-L348 VanDerWaalsContact O-CB 3.28Å; P344-L348 WeakPolarHBondContact O-CB 3.43Å; P344-L348 PolarHBondContact O-N 3.48Å
345L98.4Very high98.1Very high51 Ų5125.6 Ų25.627%0.26714%0.137SC..Hα-helixtrans-74.8-32177.8-63-174.6000112.9P343 L348 L349 V579 M581 I584P343-L345 PolarHBondContact O-N 2.98Å; L345-L348 PolarHBondContact O-N 2.9Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å; L345-V579 HydrophobicContact CB-CG1 4.12Å; L345-M581 HydrophobicContact CD1-CB 4.25Å; L345-M581 HydrophobicContact CD2-CE 3.66Å; L345-I584 HydrophobicContact CB-CD1 3.98Å; L345-I584 HydrophobicContact CD2-CD1 4.05Å; L345-I584 HydrophobicContact CG-CD1 4.45Å
346A98.6Very high98.5Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-66.8-46.8174.700000110.8F338 P343 L348 L349 A350 K576 V579F338-A346 HydrophobicContact CD1-CB 4.26Å; F338-A346 HydrophobicContact CE1-CB 4.27Å; P343-A346 HydrophobicContact CB-CB 4.26Å; P343-A346 WeakPolarHBondContact O-CA 3.04Å; P343-A346 WeakPolarHBondContact O-CB 3.07Å; P343-A346 PolarHBondContact O-N 3.4Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.24Å; A346-L349 PolarHBondContact O-N 3.4Å; A346-A350 WeakPolarHBondContact O-CB 3.46Å; A346-A350 PolarHBondContact O-N 3.35Å; A346-K576 HydrophobicContact CB-CB 4.28Å; A346-K576 WeakPolarHBondContact CB-O 3.37Å; A346-V579 HydrophobicContact CB-CB 4.14Å; A346-V579 HydrophobicContact CB-CG2 4.04Å
347W98.8Very high98.5Very high15 Ų1523.3 Ų23.36%0.05712%0.122CC..Hα-helixtrans-60.8-43.3174.5-178.5-127.3000112D230 P322 I325 F338 L339 P340 P343 A350 K351D230-W347 PolarHBondContact OD1-NE1 2.87Å; D230-W347 PolarHBondContact OD2-NE1 3.32Å; D230-W347 VanDerWaalsContact OD2-NE1 3.16Å; P322-W347 HydrophobicContact CB-CH2 4.03Å; P322-W347 HydrophobicContact CB-CZ2 3.88Å; P322-W347 HydrophobicContact CG-CH2 4.48Å; P322-W347 HydrophobicContact CG-CZ2 3.84Å; I325-W347 HydrophobicContact CB-CZ3 4.11Å; I325-W347 HydrophobicContact CD1-CE3 4.38Å; I325-W347 HydrophobicContact CD1-CH2 3.63Å; I325-W347 HydrophobicContact CD1-CZ2 4.41Å; I325-W347 HydrophobicContact CD1-CZ3 3.61Å; I325-W347 HydrophobicContact CG1-CH2 3.82Å; I325-W347 HydrophobicContact CG1-CZ3 3.76Å; F338-W347 HydrophobicContact CB-CE3 4.01Å; F338-W347 HydrophobicContact CB-CZ3 4.17Å; F338-W347 WeakPolarHBondContact O-CZ3 3.41Å; L339-W347 VanDerWaalsContact C-CE3 3.42Å; P340-W347 HydrophobicContact CB-CZ2 4.32Å; P340-W347 HydrophobicContact CG-CH2 4.04Å; P340-W347 HydrophobicContact CG-CZ2 3.61Å; P343-W347 PolarHBondContact O-N 3.44Å; P343-W347 VanDerWaalsContact O-N 3.14Å; W347-A350 PolarHBondContact O-N 3.03Å; W347-K351 HydrophobicContact CD2-CG 4.46Å; W347-K351 HydrophobicContact CZ2-CD 4.17Å; W347-K351 HydrophobicContact CZ2-CG 4.26Å; W347-K351 PolarHBondContact O-N 3.32Å
348L98.6Very high98.5Very high13 Ų1322.6 Ų22.67%0.06812%0.119CC..Hα-helixtrans-61.4-46.2177.7-174.261.8000112.1W227 K228 P344 L345 A346 K351 M352W227-L348 HydrophobicContact CE3-CD1 4.15Å; W227-L348 HydrophobicContact CH2-CD1 3.93Å; W227-L348 HydrophobicContact CH2-CD2 3.86Å; W227-L348 HydrophobicContact CH2-CG 4.15Å; W227-L348 HydrophobicContact CZ3-CD1 3.56Å; W227-L348 HydrophobicContact CZ3-CD2 4.32Å; W227-L348 HydrophobicContact CZ3-CG 4.1Å; K228-L348 HydrophobicContact CB-CD1 4.34Å; K228-L348 HydrophobicContact CG-CD1 4.02Å; K228-L348 HydrophobicContact CG-CD2 4.49Å; P344-L348 VanDerWaalsContact O-CB 3.28Å; P344-L348 WeakPolarHBondContact O-CB 3.43Å; P344-L348 PolarHBondContact O-N 3.48Å; L345-L348 PolarHBondContact O-N 2.9Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.24Å; L348-K351 PolarHBondContact O-N 2.92Å; L348-M352 HydrophobicContact CD2-CE 4.32Å; L348-M352 HydrophobicContact CG-CE 4.11Å; L348-M352 WeakPolarHBondContact O-CG 3.13Å; L348-M352 PolarHBondContact O-N 3.4Å
349L98.7Very high98.5Very high1 Ų123 Ų231%0.00512%0.12CC..Hα-helixtrans-65.7-38.6178.3-17855.2000111.8L345 A346 K351 M352 W353 M568 P573 V579 I584L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å; A346-L349 PolarHBondContact O-N 3.4Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 2.91Å; L349-M352 HydrophobicContact CD1-CB 4.48Å; L349-M352 HydrophobicContact CD1-SD 4.08Å; L349-M352 WeakPolarHBondContact O-CB 3.43Å; L349-M352 PolarHBondContact O-N 2.71Å; L349-W353 VanDerWaalsContact O-CD1 3.23Å; L349-W353 PolarHBondContact O-N 2.92Å; L349-M568 HydrophobicContact CD1-CE 3.97Å; L349-P573 HydrophobicContact CD2-CB 4.46Å; L349-P573 HydrophobicContact CD2-CG 3.89Å; L349-P573 HydrophobicContact CG-CG 4.33Å; L349-V579 HydrophobicContact CB-CG1 4.18Å; L349-V579 HydrophobicContact CD2-CG1 3.74Å; L349-V579 HydrophobicContact CD2-CG2 4.36Å; L349-I584 HydrophobicContact CB-CD1 4.42Å; L349-I584 HydrophobicContact CB-CG1 4.2Å; L349-I584 HydrophobicContact CD1-CG1 4.34Å; L349-I584 HydrophobicContact CD2-CG1 4.27Å
350A98.8Very high98.5Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-59.8-43.4174.600000111.8I325 L327 F338 A346 W347 W353 V354I325-A350 HydrophobicContact CB-CB 4.35Å; I325-A350 HydrophobicContact CD1-CB 4.24Å; I325-A350 HydrophobicContact CG2-CB 4.15Å; L327-A350 HydrophobicContact CD2-CB 4.5Å; F338-A350 HydrophobicContact CB-CB 3.62Å; F338-A350 HydrophobicContact CD1-CB 3.96Å; F338-A350 HydrophobicContact CD2-CB 3.84Å; F338-A350 HydrophobicContact CG-CB 3.52Å; A346-A350 WeakPolarHBondContact O-CB 3.46Å; A346-A350 PolarHBondContact O-N 3.35Å; W347-A350 PolarHBondContact O-N 3.03Å; A350-W353 PolarHBondContact O-N 3.05Å; A350-V354 PolarHBondContact O-N 3.26Å; A350-V354 VanDerWaalsContact O-N 3.15Å
351K98.9Very high98.4Very high8 Ų821 Ų214%0.03511%0.108CC..Hα-helixtrans-62.5-42.4173.2-70-169.7-61.8177.70112.3K228 D230 F233 P322 I325 W347 L348 L349 W353 V354 R355K228-K351 PolarHBondContact O-NZ 3.47Å; D230-K351 WeakPolarHBondContact OD1-CD 3.44Å; D230-K351 WeakPolarHBondContact OD1-CE 3.4Å; D230-K351 IonicContact OD1-NZ 3.59Å; D230-K351 PolarHBondContact OD1-NZ 3.31Å; F233-K351 HydrophobicContact CB-CD 4.41Å; F233-K351 HydrophobicContact CD2-CB 3.97Å; F233-K351 HydrophobicContact CD2-CD 3.97Å; F233-K351 HydrophobicContact CD2-CG 4.06Å; F233-K351 HydrophobicContact CE2-CB 3.93Å; F233-K351 HydrophobicContact CE2-CD 4.49Å; F233-K351 HydrophobicContact CE2-CG 4.1Å; F233-K351 HydrophobicContact CG-CD 4.23Å; P322-K351 HydrophobicContact CG-CD 4.24Å; I325-K351 HydrophobicContact CD1-CG 3.77Å; W347-K351 HydrophobicContact CD2-CG 4.46Å; W347-K351 HydrophobicContact CZ2-CD 4.17Å; W347-K351 HydrophobicContact CZ2-CG 4.26Å; W347-K351 PolarHBondContact O-N 3.32Å; L348-K351 PolarHBondContact O-N 2.92Å; L349-K351 VanDerWaalsContact C-N 3.33Å; L349-K351 PolarHBondContact O-N 2.91Å; K351-W353 VanDerWaalsContact C-N 3.27Å; K351-W353 PolarHBondContact O-N 3.1Å; K351-V354 PolarHBondContact O-N 3.49Å; K351-V354 VanDerWaalsContact O-N 3.16Å; K351-R355 WeakPolarHBondContact O-CG 3.46Å; K351-R355 PolarHBondContact O-N 3.18Å
352M98.8Very high98.4Very high3 Ų314.6 Ų14.62%0.0158%0.083CC..Hα-helixtrans-58.2-39.4175.7-69173.1172.600112.2L205 W227 L348 L349 R355 H356 P562 I584 L588L205-M352 HydrophobicContact CD2-CE 4.25Å; W227-M352 HydrophobicContact CH2-CE 3.19Å; W227-M352 HydrophobicContact CZ2-CE 4.49Å; W227-M352 HydrophobicContact CZ3-CE 3.25Å; W227-M352 HydrophobicContact CZ3-CG 4.19Å; L348-M352 HydrophobicContact CD2-CE 4.32Å; L348-M352 HydrophobicContact CG-CE 4.11Å; L348-M352 WeakPolarHBondContact O-CG 3.13Å; L348-M352 PolarHBondContact O-N 3.4Å; L349-M352 HydrophobicContact CD1-CB 4.48Å; L349-M352 HydrophobicContact CD1-SD 4.08Å; L349-M352 WeakPolarHBondContact O-CB 3.43Å; L349-M352 PolarHBondContact O-N 2.71Å; M352-R355 CarbonylContact O-C 3.56Å; M352-R355 PolarHBondContact O-N 3.3Å; M352-H356 WeakPolarHBondContact O-CB 3.3Å; M352-H356 PolarHBondContact O-N 2.8Å; M352-P562 HydrophobicContact CE-CB 4.19Å; M352-I584 HydrophobicContact CE-CG2 3.75Å; M352-I584 HydrophobicContact SD-CG2 3.92Å; M352-L588 HydrophobicContact CE-CD1 4.11Å; M352-L588 HydrophobicContact CE-CD2 4.5Å; M352-L588 HydrophobicContact SD-CD1 4.38Å; M352-L588 HydrophobicContact SD-CD2 3.94Å; M352-L588 HydrophobicContact SD-CG 4.32Å
353W98.8Very high98.3Very high0 Ų013.8 Ų13.80%08%0.079CC..Hα-helixtrans-66.2-39.1175.6-83.1108000112.9F304 A306 L327 L349 A350 K351 R355 H356 S357 M568 L570 P572F304-W353 HydrophobicContact CB-CH2 3.73Å; F304-W353 HydrophobicContact CB-CZ3 4.43Å; A306-W353 HydrophobicContact CB-CD2 4.24Å; A306-W353 HydrophobicContact CB-CE3 3.48Å; A306-W353 VanDerWaalsContact CB-CE3 3.48Å; A306-W353 HydrophobicContact CB-CZ3 3.88Å; L327-W353 HydrophobicContact CD1-CB 4.22Å; L327-W353 HydrophobicContact CD1-CG 4.06Å; L327-W353 HydrophobicContact CD2-CB 3.51Å; L327-W353 HydrophobicContact CD2-CG 4.22Å; L327-W353 HydrophobicContact CG-CB 4.48Å; L349-W353 VanDerWaalsContact O-CD1 3.23Å; L349-W353 PolarHBondContact O-N 2.92Å; A350-W353 PolarHBondContact O-N 3.05Å; K351-W353 VanDerWaalsContact C-N 3.27Å; K351-W353 PolarHBondContact O-N 3.1Å; W353-R355 VanDerWaalsContact C-N 3.31Å; W353-R355 PolarHBondContact O-N 2.94Å; W353-H356 WeakPolarHBondContact O-CB 3.1Å; W353-H356 PolarHBondContact O-N 3.25Å; W353-S357 PolarHBondContact O-N 3.3Å; W353-S357 PolarHBondContact O-OG 3.02Å; W353-M568 HydrophobicContact CD2-CE 3.75Å; W353-M568 HydrophobicContact CD2-CG 4.26Å; W353-M568 HydrophobicContact CE3-CB 4.39Å; W353-M568 HydrophobicContact CE3-CE 4.32Å; W353-M568 HydrophobicContact CE3-CG 3.87Å; W353-M568 HydrophobicContact CG-CE 4.14Å; W353-M568 HydrophobicContact CH2-CB 3.33Å; W353-M568 HydrophobicContact CH2-CE 4.32Å; W353-M568 HydrophobicContact CH2-CG 3.72Å; W353-M568 HydrophobicContact CZ2-CB 3.84Å; W353-M568 HydrophobicContact CZ2-CE 3.7Å; W353-M568 HydrophobicContact CZ2-CG 4.07Å; W353-M568 HydrophobicContact CZ3-CB 3.64Å; W353-M568 HydrophobicContact CZ3-CG 3.6Å; W353-L570 WeakPolarHBondContact CH2-O 3.28Å; W353-L570 WeakPolarHBondContact CZ2-O 3.46Å; W353-P572 HydrophobicContact CD2-CG 4.25Å; W353-P572 HydrophobicContact CE3-CG 4.29Å; W353-P572 HydrophobicContact CH2-CG 3.84Å; W353-P572 HydrophobicContact CZ2-CB 4.33Å; W353-P572 HydrophobicContact CZ2-CG 3.84Å; W353-P572 VanDerWaalsContact CZ2-N 3.35Å; W353-P572 HydrophobicContact CZ3-CG 4.08Å
354V98.8Very high98.2Very high2 Ų211.6 Ų11.61%0.0126%0.064CC..Hα-helixtrans-62.3-42.6172-179.10000110.8F233 L285 Y287 P308 C310 I325 A350 K351 H356 S357 E358F233-V354 HydrophobicContact CE2-CB 4.09Å; F233-V354 HydrophobicContact CE2-CG1 4.21Å; F233-V354 HydrophobicContact CZ-CB 3.91Å; F233-V354 HydrophobicContact CZ-CG1 3.66Å; F233-V354 HydrophobicContact CZ-CG2 4.47Å; L285-V354 HydrophobicContact CD1-CG1 4.19Å; Y287-V354 HydrophobicContact CE2-CG1 3.77Å; P308-V354 HydrophobicContact CB-CG2 3.95Å; P308-V354 HydrophobicContact CG-CB 4.47Å; P308-V354 HydrophobicContact CG-CG2 4.13Å; C310-V354 HydrophobicContact CB-CG1 4.2Å; C310-V354 HydrophobicContact CB-CG2 4.11Å; I325-V354 HydrophobicContact CD1-CG2 3.86Å; I325-V354 HydrophobicContact CG1-CG2 4.13Å; I325-V354 HydrophobicContact CG2-CG2 3.64Å; A350-V354 PolarHBondContact O-N 3.26Å; A350-V354 VanDerWaalsContact O-N 3.15Å; K351-V354 PolarHBondContact O-N 3.49Å; K351-V354 VanDerWaalsContact O-N 3.16Å; V354-H356 VanDerWaalsContact C-N 3.32Å; V354-H356 PolarHBondContact O-N 3.48Å; V354-S357 PolarHBondContact O-N 3.49Å; V354-E358 WeakPolarHBondContact O-CB 3.29Å; V354-E358 PolarHBondContact O-N 3.49Å
355R98.6Very high98.2Very high11 Ų116.4 Ų6.44%0.0423%0.031CC..Hα-helixtrans-68-30.1176.9-64.6-59.3-58.9160.75.4113.5F233 K351 M352 W353 F359 N563 T564F233-R355 HydrophobicContact CD2-CG 4.16Å; F233-R355 HydrophobicContact CE2-CG 3.95Å; K351-R355 WeakPolarHBondContact O-CG 3.46Å; K351-R355 PolarHBondContact O-N 3.18Å; M352-R355 CarbonylContact O-C 3.56Å; M352-R355 PolarHBondContact O-N 3.3Å; W353-R355 VanDerWaalsContact C-N 3.31Å; W353-R355 PolarHBondContact O-N 2.94Å; R355-F359 PolarHBondContact O-N 2.96Å; R355-N563 WeakPolarHBondContact CB-O 3.48Å; R355-N563 WeakPolarHBondContact CG-O 3.38Å; R355-N563 PolarHBondContact NE-O 3.05Å; R355-T564 PolarHBondContact NH2-OG1 3.38Å
356H98.7Very high98.1Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-63.2-52.5170.6168.9-98.1000110.9F304 M352 W353 V354 E358 F359 Q360 S426 P565 M568F304-H356 PolarHBondContact O-CE1 2.68Å; M352-H356 WeakPolarHBondContact O-CB 3.3Å; M352-H356 PolarHBondContact O-N 2.8Å; W353-H356 WeakPolarHBondContact O-CB 3.1Å; W353-H356 PolarHBondContact O-N 3.25Å; V354-H356 VanDerWaalsContact C-N 3.32Å; V354-H356 PolarHBondContact O-N 3.48Å; H356-E358 PolarHBondContact O-N 3.02Å; H356-F359 WeakPolarHBondContact O-CB 3.39Å; H356-F359 PolarHBondContact O-N 3.02Å; H356-F359 VanDerWaalsContact O-N 3.07Å; H356-Q360 PolarHBondContact NE2-NE2 3.13Å; H356-Q360 WeakPolarHBondContact O-CG 3.14Å; H356-Q360 PolarHBondContact O-N 2.86Å; H356-S426 VanDerWaalsContact NE2-CB 3.34Å; H356-S426 WeakPolarHBondContact NE2-CB 3.26Å; H356-S426 PolarHBondContact NE2-OG 3.3Å; H356-P565 HydrophobicContact CB-CG 4.01Å; H356-P565 PolarHBondContact CD2-O 3.15Å; H356-P565 VanDerWaalsContact CD2-O 3.31Å; H356-M568 HydrophobicContact CB-CG 4.1Å
357S98.6Very high98.1Very high0 Ų04.6 Ų4.60%02%0.021CC..Hα-helixtrans-61.1-38177.6-58.80000111.2A306 P308 W353 V354 F359 Q360 V361A306-S357 PolarHBondContact O-OG 3.26Å; P308-S357 WeakPolarHBondContact CD-OG 3.5Å; P308-S357 WeakPolarHBondContact CG-OG 3.43Å; W353-S357 PolarHBondContact O-N 3.3Å; W353-S357 PolarHBondContact O-OG 3.02Å; V354-S357 PolarHBondContact O-N 3.49Å; S357-F359 PolarHBondContact O-N 3.33Å; S357-Q360 PolarHBondContact O-N 3.16Å; S357-V361 PolarHBondContact O-N 2.9Å
358E97.9Very high98Very high3 Ų35.1 Ų5.11%0.0143%0.025CC..Hα-helixtrans-58.5-45.5171.9-175.671.713800111.8N242 M245 Y287 V354 H356 Q360 V361 F362N242-E358 HydrophobicContact CB-CG 4.33Å; N242-E358 PolarHBondContact ND2-OE2 2.82Å; M245-E358 VanDerWaalsContact CG-OE2 3.28Å; M245-E358 WeakPolarHBondContact CG-OE2 3.43Å; Y287-E358 HydrophobicContact CE1-CB 4.28Å; Y287-E358 WeakPolarHBondContact CE1-OE2 3.38Å; Y287-E358 WeakPolarHBondContact OH-CB 3.37Å; Y287-E358 PolarHBondContact OH-OE2 3.39Å; V354-E358 WeakPolarHBondContact O-CB 3.29Å; V354-E358 PolarHBondContact O-N 3.49Å; H356-E358 PolarHBondContact O-N 3.02Å; E358-Q360 VanDerWaalsContact C-N 3.29Å; E358-Q360 PolarHBondContact O-N 3.22Å; E358-V361 PolarHBondContact O-N 2.59Å; E358-F362 WeakPolarHBondContact O-CA 3.22Å; E358-F362 WeakPolarHBondContact O-CB 3.41Å; E358-F362 PolarHBondContact O-N 2.78Å
359F98.1Very high98Very high7 Ų74.5 Ų4.53%0.0312%0.022CC..Hα-helixtrans-56.7-43.5175.4-174.5-90.6000112.3R355 H356 S357 Q363 V425 T564 C566 Q597 T601R355-F359 PolarHBondContact O-N 2.96Å; H356-F359 WeakPolarHBondContact O-CB 3.39Å; H356-F359 PolarHBondContact O-N 3.02Å; H356-F359 VanDerWaalsContact O-N 3.07Å; S357-F359 PolarHBondContact O-N 3.33Å; F359-Q363 HydrophobicContact CD1-CG 4.13Å; F359-Q363 HydrophobicContact CD2-CG 4.25Å; F359-Q363 HydrophobicContact CE1-CG 3.83Å; F359-Q363 HydrophobicContact CE2-CG 3.97Å; F359-Q363 HydrophobicContact CG-CG 4.37Å; F359-Q363 HydrophobicContact CZ-CG 3.75Å; F359-Q363 WeakPolarHBondContact O-CB 3.4Å; F359-Q363 VanDerWaalsContact O-CG 3.29Å; F359-Q363 WeakPolarHBondContact O-CG 3.47Å; F359-Q363 PolarHBondContact O-N 2.82Å; F359-V425 HydrophobicContact CE1-CG1 4.16Å; F359-V425 HydrophobicContact CE1-CG2 4.27Å; F359-T564 HydrophobicContact CB-CG2 3.81Å; F359-T564 HydrophobicContact CD2-CG2 3.79Å; F359-T564 HydrophobicContact CG-CG2 4.28Å; F359-C566 HydrophobicContact CD1-CB 3.83Å; F359-C566 HydrophobicContact CE1-CB 3.33Å; F359-C566 HydrophobicContact CE2-CB 4.19Å; F359-C566 HydrophobicContact CG-CB 4.43Å; F359-C566 HydrophobicContact CZ-CB 3.53Å; F359-Q597 HydrophobicContact CE2-CG 4.48Å; F359-T601 HydrophobicContact CE2-CG2 4.49Å
360Q98.1Very high98Very high0 Ų05.8 Ų5.80%03%0.027CC..Hα-helixtrans-63.9-48.8-178.4-51-50.7-58.700111.1M290 H356 S357 E358 L364 T427 C566M290-Q360 HydrophobicContact CE-CB 3.54Å; M290-Q360 HydrophobicContact CE-CG 3.72Å; M290-Q360 HydrophobicContact SD-CB 3.95Å; H356-Q360 PolarHBondContact NE2-NE2 3.13Å; H356-Q360 WeakPolarHBondContact O-CG 3.14Å; H356-Q360 PolarHBondContact O-N 2.86Å; S357-Q360 PolarHBondContact O-N 3.16Å; E358-Q360 VanDerWaalsContact C-N 3.29Å; E358-Q360 PolarHBondContact O-N 3.22Å; Q360-L364 WeakPolarHBondContact O-CB 3.36Å; Q360-L364 PolarHBondContact O-N 3.04Å; Q360-T427 HydrophobicContact CB-CG2 3.96Å; Q360-T427 HydrophobicContact CG-CG2 3.94Å; Q360-T427 VanDerWaalsContact OE1-CG2 3.27Å; Q360-T427 PolarHBondContact OE1-OG1 2.75Å; Q360-C566 PolarHBondContact NE2-O 3.04Å
361V98Very high98Very high3 Ų35.8 Ų5.82%0.0183%0.027CC..Hα-helixtrans-68-44.5-179.8166.40000111.2M245 Y287 I289 M290 S357 E358 Q363 L365 S366M245-V361 HydrophobicContact CE-CG1 4Å; M245-V361 HydrophobicContact CG-CG1 4.27Å; M245-V361 HydrophobicContact SD-CG1 3.54Å; M245-V361 VanDerWaalsContact SD-CG1 3.54Å; Y287-V361 HydrophobicContact CD1-CB 4.45Å; Y287-V361 HydrophobicContact CD1-CG2 3.86Å; Y287-V361 HydrophobicContact CE1-CB 4.38Å; Y287-V361 HydrophobicContact CE1-CG2 4.28Å; I289-V361 HydrophobicContact CG2-CG2 4.03Å; M290-V361 HydrophobicContact CG-CG2 4.02Å; M290-V361 HydrophobicContact SD-CG2 3.81Å; S357-V361 PolarHBondContact O-N 2.9Å; E358-V361 PolarHBondContact O-N 2.59Å; V361-Q363 PolarHBondContact O-N 2.67Å; V361-L365 HydrophobicContact CB-CD1 4.4Å; V361-L365 HydrophobicContact CG1-CB 4.29Å; V361-L365 HydrophobicContact CG1-CD1 4.06Å; V361-L365 HydrophobicContact CG1-CG 4.47Å; V361-L365 HydrophobicContact CG2-CD1 4.14Å; V361-L365 WeakPolarHBondContact O-CA 3.43Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 PolarHBondContact O-N 3.26Å; V361-S366 PolarHBondContact O-N 3.24Å; V361-S366 VanDerWaalsContact O-N 3.17Å
362F96.5Very high97.9Very high3 Ų35.9 Ų5.91%0.0133%0.027CC..Iπ-helixtrans-52.6-57.4176.6167.4-131.7000111.9S241 N242 E358 S366 H367 T550 Q554S241-F362 WeakPolarHBondContact O-CD2 3.5Å; S241-F362 WeakPolarHBondContact O-CE2 3.46Å; N242-F362 HydrophobicContact CB-CB 3.74Å; N242-F362 HydrophobicContact CB-CD2 3.69Å; N242-F362 HydrophobicContact CB-CG 3.94Å; E358-F362 WeakPolarHBondContact O-CA 3.22Å; E358-F362 WeakPolarHBondContact O-CB 3.41Å; E358-F362 PolarHBondContact O-N 2.78Å; F362-S366 PolarHBondContact O-N 2.91Å; F362-H367 HydrophobicContact CE2-CB 4.44Å; F362-H367 VanDerWaalsContact O-CB 3.28Å; F362-H367 WeakPolarHBondContact O-CB 3.41Å; F362-H367 PolarHBondContact O-N 3.39Å; F362-T550 WeakPolarHBondContact CE2-O 3.41Å; F362-T550 WeakPolarHBondContact CZ-O 3.31Å; F362-Q554 HydrophobicContact CE1-CG 3.83Å; F362-Q554 HydrophobicContact CZ-CG 3.54Å
363Q96.5Very high97.9Very high11 Ų116.6 Ų6.65%0.0513%0.031CC..Iπ-helixtrans-69.2-43.2-171.8-73.8-70.8-30.800112.8F359 V361 L368 F421F359-Q363 HydrophobicContact CD1-CG 4.13Å; F359-Q363 HydrophobicContact CD2-CG 4.25Å; F359-Q363 HydrophobicContact CE1-CG 3.83Å; F359-Q363 HydrophobicContact CE2-CG 3.97Å; F359-Q363 HydrophobicContact CG-CG 4.37Å; F359-Q363 HydrophobicContact CZ-CG 3.75Å; F359-Q363 WeakPolarHBondContact O-CB 3.4Å; F359-Q363 VanDerWaalsContact O-CG 3.29Å; F359-Q363 WeakPolarHBondContact O-CG 3.47Å; F359-Q363 PolarHBondContact O-N 2.82Å; V361-Q363 PolarHBondContact O-N 2.67Å; Q363-L368 WeakPolarHBondContact O-CB 3.35Å; Q363-L368 PolarHBondContact O-N 2.79Å; Q363-L368 VanDerWaalsContact O-N 3.15Å; Q363-F421 HydrophobicContact CB-CE1 4.28Å; Q363-F421 HydrophobicContact CB-CZ 3.95Å
364L96.5Very high97.9Very high1 Ų16.6 Ų6.61%0.0053%0.031CC..Iπ-helixtrans-88.6-37.3-174.1-68.6177.2000113.1Q360 L368 L369 F421 T427 L432 L435Q360-L364 WeakPolarHBondContact O-CB 3.36Å; Q360-L364 PolarHBondContact O-N 3.04Å; L364-L368 HydrophobicContact CD2-CD2 4.15Å; L364-L369 WeakPolarHBondContact O-CB 3.42Å; L364-L369 PolarHBondContact O-N 2.91Å; L364-F421 HydrophobicContact CD1-CD1 4.49Å; L364-F421 HydrophobicContact CD1-CE1 4.19Å; L364-F421 HydrophobicContact CD2-CD1 3.92Å; L364-F421 HydrophobicContact CD2-CE1 3.38Å; L364-F421 HydrophobicContact CD2-CZ 3.75Å; L364-F421 HydrophobicContact CG-CD1 4.39Å; L364-F421 HydrophobicContact CG-CE1 3.69Å; L364-F421 HydrophobicContact CG-CZ 4.32Å; L364-T427 WeakPolarHBondContact CD1-OG1 3.4Å; L364-L432 HydrophobicContact CD1-CB 4.38Å; L364-L432 HydrophobicContact CD1-CG 4.02Å; L364-L432 HydrophobicContact CD2-CD1 3.78Å; L364-L432 HydrophobicContact CD2-CD2 4.43Å; L364-L432 HydrophobicContact CD2-CG 3.69Å; L364-L435 HydrophobicContact CD1-CD2 3.92Å
365L97.3Very high97.9Very high3 Ų36.5 Ų6.52%0.0163%0.03CC..Iπ-helixtrans-99.6-61.5-170-51.4-172.3000111.1I289 V361 R370 L435 E439I289-L365 HydrophobicContact CD1-CD1 3.74Å; I289-L365 HydrophobicContact CG1-CD1 4.45Å; I289-L365 HydrophobicContact CG2-CD1 4.21Å; V361-L365 HydrophobicContact CB-CD1 4.4Å; V361-L365 HydrophobicContact CG1-CB 4.29Å; V361-L365 HydrophobicContact CG1-CD1 4.06Å; V361-L365 HydrophobicContact CG1-CG 4.47Å; V361-L365 HydrophobicContact CG2-CD1 4.14Å; V361-L365 WeakPolarHBondContact O-CA 3.43Å; V361-L365 WeakPolarHBondContact O-CB 3.37Å; V361-L365 PolarHBondContact O-N 3.26Å; L365-R370 VanDerWaalsContact O-CB 3.29Å; L365-R370 WeakPolarHBondContact O-CB 3.35Å; L365-R370 WeakPolarHBondContact O-CG 3.49Å; L365-R370 PolarHBondContact O-N 3.35Å; L365-L435 HydrophobicContact CD1-CD1 4.07Å; L365-L435 HydrophobicContact CD1-CG 4.26Å; L365-L435 HydrophobicContact CD2-CG 4.01Å; L365-L435 HydrophobicContact CG-CG 4.35Å; L365-E439 HydrophobicContact CB-CB 4.39Å; L365-E439 HydrophobicContact CB-CG 3.98Å; L365-E439 HydrophobicContact CD1-CB 3.87Å; L365-E439 HydrophobicContact CD1-CG 4.15Å; L365-E439 HydrophobicContact CD2-CB 3.4Å; L365-E439 HydrophobicContact CD2-CG 3.9Å; L365-E439 HydrophobicContact CG-CB 4.07Å; L365-E439 HydrophobicContact CG-CG 4.21Å
366S96.9Very high97.9Very high3 Ų36 Ų62%0.0213%0.029CC..Iπ-helixtrans-67.5-38.9-177-66.60000113N242 V361 F362N242-S366 VanDerWaalsContact OD1-CB 3.23Å; N242-S366 WeakPolarHBondContact OD1-CB 3.38Å; N242-S366 PolarHBondContact OD1-OG 3.04Å; V361-S366 PolarHBondContact O-N 3.24Å; V361-S366 VanDerWaalsContact O-N 3.17Å; F362-S366 PolarHBondContact O-N 2.91Å
367H98Very high97.9Very high9 Ų96 Ų64%0.0423%0.029CC..Iπ-helixtrans-88.1-79.6179.2-174.1-142.3000110.5F362 L369 T371 H372 H547 N551 Q554F362-H367 HydrophobicContact CE2-CB 4.44Å; F362-H367 VanDerWaalsContact O-CB 3.28Å; F362-H367 WeakPolarHBondContact O-CB 3.41Å; F362-H367 PolarHBondContact O-N 3.39Å; H367-L369 PolarHBondContact O-N 3.21Å; H367-T371 PolarHBondContact O-N 2.84Å; H367-T371 VanDerWaalsContact O-N 3.09Å; H367-T371 PolarHBondContact O-OG1 3Å; H367-H372 AromaticContact CD2-NE2 3.97Å; H367-H372 AromaticContact CE1-NE2 3.82Å; H367-H372 AromaticContact NE2-CD2 3.93Å; H367-H372 AromaticContact NE2-NE2 3.37Å; H367-H372 PolarHBondContact NE2-NE2 3.29Å; H367-H547 AromaticContact CD2-CD2 3.99Å; H367-H547 AromaticContact NE2-CD2 3.77Å; H367-H547 AromaticContact NE2-NE2 3.6Å; H367-N551 PolarHBondContact NE2-OD1 3.37Å; H367-Q554 PolarHBondContact CE1-NE2 3.03Å
368L97.5Very high98Very high26 Ų266 Ų614%0.1363%0.029CC..Iπ-helixtrans-56.7-59.1-172.7176.967000114.2Q363 L364 H372 L373 I415Q363-L368 WeakPolarHBondContact O-CB 3.35Å; Q363-L368 PolarHBondContact O-N 2.79Å; Q363-L368 VanDerWaalsContact O-N 3.15Å; L364-L368 HydrophobicContact CD2-CD2 4.15Å; L368-H372 HydrophobicContact CD1-CB 4.2Å; L368-H372 VanDerWaalsContact O-CB 3.3Å; L368-H372 WeakPolarHBondContact O-CB 3.33Å; L368-H372 PolarHBondContact O-N 3.19Å; L368-L373 HydrophobicContact CD1-CD2 4.43Å; L368-L373 HydrophobicContact CD1-CG 4.36Å; L368-L373 HydrophobicContact CG-CD1 4.4Å; L368-L373 HydrophobicContact CG-CG 4.41Å; L368-L373 PolarHBondContact O-N 3.04Å; L368-I415 HydrophobicContact CD2-CD1 4.15Å; L368-I415 HydrophobicContact CD2-CG2 3.9Å
369L97.9Very high98Very high1 Ų16 Ų61%0.0053%0.029CC..Iπ-helixtrans-70-52.9-173.4-175.679.8000112P153 L364 H367 T371 L373 V374 E439 Y440P153-L369 HydrophobicContact CG-CD1 4.33Å; L364-L369 WeakPolarHBondContact O-CB 3.42Å; L364-L369 PolarHBondContact O-N 2.91Å; H367-L369 PolarHBondContact O-N 3.21Å; L369-T371 VanDerWaalsContact C-N 3.34Å; L369-T371 PolarHBondContact O-N 3.18Å; L369-L373 HydrophobicContact CD1-CB 4.48Å; L369-L373 HydrophobicContact CD1-CD1 3.83Å; L369-V374 WeakPolarHBondContact O-CG2 3.4Å; L369-V374 PolarHBondContact O-N 3.34Å; L369-E439 HydrophobicContact CD2-CB 3.63Å; L369-E439 HydrophobicContact CD2-CG 3.34Å; L369-Y440 HydrophobicContact CD1-CD2 4.48Å
370R97.9Very high98Very high27 Ų275.7 Ų5.710%0.1023%0.027CC..Iπ-helixtrans-77.3-12.3-171.6-74.7-172.2169.6-140.8-0.2114.6L365 E439 L443 T542L365-R370 VanDerWaalsContact O-CB 3.29Å; L365-R370 WeakPolarHBondContact O-CB 3.35Å; L365-R370 WeakPolarHBondContact O-CG 3.49Å; L365-R370 PolarHBondContact O-N 3.35Å; R370-E439 IonicContact CZ-OE1 3.24Å; R370-E439 IonicContact NE-OE1 3.2Å; R370-E439 PolarHBondContact NE-OE1 3.42Å; R370-E439 IonicContact NH2-OE1 2.73Å; R370-E439 PolarHBondContact NH2-OE1 2.91Å; R370-L443 HydrophobicContact CG-CD1 4.05Å; R370-T542 WeakPolarHBondContact O-CG2 3.48Å
371T98.7Very high98.1Very high0 Ų05.7 Ų5.70%03%0.027CC..Iπ-helixtrans-114.2-71.5170.5730000111.4H367 L369 L373 V374 V375 T542 Q546 H547H367-T371 PolarHBondContact O-N 2.84Å; H367-T371 VanDerWaalsContact O-N 3.09Å; H367-T371 PolarHBondContact O-OG1 3Å; L369-T371 VanDerWaalsContact C-N 3.34Å; L369-T371 PolarHBondContact O-N 3.18Å; T371-L373 PolarHBondContact O-N 3.04Å; T371-V374 PolarHBondContact O-N 3.34Å; T371-V375 WeakPolarHBondContact O-CB 3.31Å; T371-V375 VanDerWaalsContact O-CG2 3.29Å; T371-V375 WeakPolarHBondContact O-CG2 3.15Å; T371-V375 PolarHBondContact O-N 3.28Å; T371-T542 HydrophobicContact CG2-CG2 4.4Å; T371-Q546 HydrophobicContact CG2-CB 4.48Å; T371-Q546 HydrophobicContact CG2-CG 3.81Å; T371-H547 HydrophobicContact CG2-CB 4.4Å
372H98.8Very high98.1Very high11 Ų115.5 Ų5.55%0.0513%0.026CC..Iπ-helixtrans-56.1-53.7-171.8-75-105.2000112.8H367 L368 V375 E376 N407 H547 I668 I670H367-H372 AromaticContact CD2-NE2 3.97Å; H367-H372 AromaticContact CE1-NE2 3.82Å; H367-H372 AromaticContact NE2-CD2 3.93Å; H367-H372 AromaticContact NE2-NE2 3.37Å; H367-H372 PolarHBondContact NE2-NE2 3.29Å; L368-H372 HydrophobicContact CD1-CB 4.2Å; L368-H372 VanDerWaalsContact O-CB 3.3Å; L368-H372 WeakPolarHBondContact O-CB 3.33Å; L368-H372 PolarHBondContact O-N 3.19Å; H372-V375 PolarHBondContact O-N 3.1Å; H372-E376 WeakPolarHBondContact O-CB 3.42Å; H372-E376 PolarHBondContact O-N 3.42Å; H372-N407 VanDerWaalsContact C-ND2 3.35Å; H372-N407 WeakPolarHBondContact CB-OD1 3.48Å; H372-N407 PolarHBondContact ND1-OD1 3.41Å; H372-N407 PolarHBondContact O-ND2 3.11Å; H372-H547 AromaticContact NE2-CD2 3.94Å; H372-H547 AromaticContact NE2-NE2 3.68Å; H372-I668 WeakPolarHBondContact CE1-CG2 3.47Å; H372-I668 WeakPolarHBondContact ND1-CG2 3.29Å; H372-I670 PolarHBondContact CE1-O 3.37Å
373L98.5Very high98.2Very high17 Ų176.2 Ų6.29%0.0893%0.03CC..Iπ-helixtrans-73-34.2-174.4-57.7-173.9000112P153 L368 L369 T371 V377P153-L373 HydrophobicContact CG-CB 4.16Å; L368-L373 HydrophobicContact CD1-CD2 4.43Å; L368-L373 HydrophobicContact CD1-CG 4.36Å; L368-L373 HydrophobicContact CG-CD1 4.4Å; L368-L373 HydrophobicContact CG-CG 4.41Å; L368-L373 PolarHBondContact O-N 3.04Å; L369-L373 HydrophobicContact CD1-CB 4.48Å; L369-L373 HydrophobicContact CD1-CD1 3.83Å; T371-L373 PolarHBondContact O-N 3.04Å; L373-V377 PolarHBondContact O-N 3.47Å
374V98.6Very high98.3Very high0 Ų07.4 Ų7.40%03%0.034CC..Hα-helixtrans-62.6-49.9172165.40000111L369 T371 E376 V377 F378 L443 L448 F514 T542L369-V374 WeakPolarHBondContact O-CG2 3.4Å; L369-V374 PolarHBondContact O-N 3.34Å; T371-V374 PolarHBondContact O-N 3.34Å; V374-E376 VanDerWaalsContact C-N 3.34Å; V374-E376 PolarHBondContact O-N 3.38Å; V374-V377 WeakPolarHBondContact O-CB 3.35Å; V374-V377 PolarHBondContact O-N 2.7Å; V374-F378 HydrophobicContact CG1-CD2 4.33Å; V374-F378 HydrophobicContact CG1-CE2 3.89Å; V374-F378 VanDerWaalsContact O-CD2 3.22Å; V374-F378 WeakPolarHBondContact O-CD2 3.39Å; V374-L443 HydrophobicContact CG2-CD2 4.06Å; V374-L448 HydrophobicContact CG1-CD1 3.98Å; V374-L448 HydrophobicContact CG1-CD2 4.42Å; V374-L448 HydrophobicContact CG2-CD2 4.41Å; V374-F514 HydrophobicContact CB-CZ 4.43Å; V374-F514 HydrophobicContact CG1-CZ 4.2Å; V374-F514 HydrophobicContact CG2-CE1 4.17Å; V374-F514 HydrophobicContact CG2-CZ 4.27Å; V374-T542 HydrophobicContact CG1-CG2 4.15Å
375V98.9Very high98.5Very high0 Ų08.3 Ų8.30%04%0.038CC..Hα-helixtrans-70.2-32.1-177.4177.30000111.7T371 H372 V377 F378 C379 L400 T403 T542 I668T371-V375 WeakPolarHBondContact O-CB 3.31Å; T371-V375 VanDerWaalsContact O-CG2 3.29Å; T371-V375 WeakPolarHBondContact O-CG2 3.15Å; T371-V375 PolarHBondContact O-N 3.28Å; H372-V375 PolarHBondContact O-N 3.1Å; V375-V377 PolarHBondContact O-N 3.28Å; V375-F378 PolarHBondContact O-N 2.55Å; V375-F378 VanDerWaalsContact O-N 3.15Å; V375-C379 WeakPolarHBondContact O-CB 3.46Å; V375-C379 PolarHBondContact O-N 3.26Å; V375-L400 HydrophobicContact CG1-CD2 3.99Å; V375-T403 HydrophobicContact CB-CG2 4.36Å; V375-T403 HydrophobicContact CG1-CG2 3.96Å; V375-T542 HydrophobicContact CG2-CG2 3.66Å; V375-I668 HydrophobicContact CB-CD1 3.94Å; V375-I668 HydrophobicContact CG1-CD1 4.35Å; V375-I668 HydrophobicContact CG2-CD1 3.86Å
376E98.9Very high98.5Very high1 Ų18.1 Ų8.11%0.0054%0.038CC..Hα-helixtrans-60.3-35.4173.2178.3166.8-161.200112.5C155 V156 H372 V374 C379 V380 T403 L404 N407 R411C155-E376 HydrophobicContact CB-CG 4.41Å; C155-E376 WeakPolarHBondContact CB-OE1 3.2Å; V156-E376 WeakPolarHBondContact CG1-OE1 3.5Å; V156-E376 PolarHBondContact N-OE1 3.15Å; H372-E376 WeakPolarHBondContact O-CB 3.42Å; H372-E376 PolarHBondContact O-N 3.42Å; V374-E376 VanDerWaalsContact C-N 3.34Å; V374-E376 PolarHBondContact O-N 3.38Å; E376-C379 WeakPolarHBondContact O-CB 3.46Å; E376-C379 PolarHBondContact O-N 2.54Å; E376-V380 HydrophobicContact CG-CG2 4.27Å; E376-V380 WeakPolarHBondContact O-CG2 3.39Å; E376-V380 PolarHBondContact O-N 3.25Å; E376-T403 HydrophobicContact CB-CG2 4.49Å; E376-L404 HydrophobicContact CG-CD2 3.84Å; E376-N407 VanDerWaalsContact CB-ND2 3.33Å; E376-N407 WeakPolarHBondContact CB-ND2 3.29Å; E376-N407 WeakPolarHBondContact OE2-CB 3.26Å; E376-N407 PolarHBondContact OE2-ND2 2.83Å; E376-R411 IonicContact OE1-CZ 3.76Å; E376-R411 IonicContact OE1-NH1 3.35Å; E376-R411 PolarHBondContact OE1-NH1 3.04Å; E376-R411 IonicContact OE1-NH2 2.78Å; E376-R411 PolarHBondContact OE1-NH2 3.19Å; E376-R411 IonicContact OE2-CZ 3.69Å; E376-R411 IonicContact OE2-NH1 3.49Å; E376-R411 PolarHBondContact OE2-NH1 3.05Å; E376-R411 IonicContact OE2-NH2 3.25Å
377V98.9Very high98.6Very high0 Ų08 Ų80%04%0.037CC..Hα-helixtrans-59.8-49.2173.5167.20000110.8W145 P153 L373 V374 V375 C379 A381 I509 F514W145-V377 HydrophobicContact CH2-CB 4.23Å; W145-V377 HydrophobicContact CH2-CG1 4.01Å; W145-V377 HydrophobicContact CH2-CG2 4.39Å; W145-V377 WeakPolarHBondContact CH2-O 3.15Å; W145-V377 HydrophobicContact CZ3-CG2 4.35Å; P153-V377 HydrophobicContact CB-CG2 3.76Å; L373-V377 PolarHBondContact O-N 3.47Å; V374-V377 WeakPolarHBondContact O-CB 3.35Å; V374-V377 PolarHBondContact O-N 2.7Å; V375-V377 PolarHBondContact O-N 3.28Å; V377-C379 VanDerWaalsContact C-N 3.27Å; V377-C379 PolarHBondContact O-N 2.7Å; V377-A381 WeakPolarHBondContact O-CB 3.45Å; V377-A381 PolarHBondContact O-N 3.26Å; V377-A381 VanDerWaalsContact O-N 3.09Å; V377-I509 HydrophobicContact CG1-CB 4.34Å; V377-I509 HydrophobicContact CG1-CG1 4.35Å; V377-I509 HydrophobicContact CG1-CG2 3.96Å; V377-F514 HydrophobicContact CB-CE2 4.12Å; V377-F514 HydrophobicContact CB-CZ 4.04Å; V377-F514 HydrophobicContact CG1-CD2 3.89Å; V377-F514 HydrophobicContact CG1-CE2 3.63Å; V377-F514 HydrophobicContact CG1-CZ 4.07Å; V377-F514 HydrophobicContact CG2-CD1 4.47Å; V377-F514 HydrophobicContact CG2-CE1 4.17Å; V377-F514 HydrophobicContact CG2-CE2 4.5Å; V377-F514 HydrophobicContact CG2-CZ 4.18Å
378F98.9Very high98.6Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-61.5-37.9175.7-69.3-79.3000111.9V374 V375 T382 W505 I509 F514 L535 V538 A539V374-F378 HydrophobicContact CG1-CD2 4.33Å; V374-F378 HydrophobicContact CG1-CE2 3.89Å; V374-F378 VanDerWaalsContact O-CD2 3.22Å; V374-F378 WeakPolarHBondContact O-CD2 3.39Å; V375-F378 PolarHBondContact O-N 2.55Å; V375-F378 VanDerWaalsContact O-N 3.15Å; F378-T382 WeakPolarHBondContact O-CB 3.4Å; F378-T382 PolarHBondContact O-N 2.72Å; F378-T382 PolarHBondContact O-OG1 2.98Å; F378-W505 HydrophobicContact CD1-CZ2 4.05Å; F378-I509 HydrophobicContact CD1-CD1 3.58Å; F378-I509 HydrophobicContact CD1-CG1 4.37Å; F378-I509 HydrophobicContact CE1-CD1 3.81Å; F378-I509 HydrophobicContact CE1-CG2 4.36Å; F378-F514 HydrophobicContact CE2-CE2 4.49Å; F378-L535 HydrophobicContact CE1-CD1 3.64Å; F378-L535 HydrophobicContact CE1-CG 4.09Å; F378-L535 HydrophobicContact CZ-CD1 3.86Å; F378-V538 HydrophobicContact CE2-CG1 4.45Å; F378-V538 HydrophobicContact CZ-CG1 4.26Å; F378-A539 HydrophobicContact CB-CB 4.31Å; F378-A539 HydrophobicContact CD1-CB 3.83Å; F378-A539 HydrophobicContact CD2-CB 4.17Å; F378-A539 HydrophobicContact CE1-CB 4.14Å; F378-A539 HydrophobicContact CE2-CB 4.48Å; F378-A539 HydrophobicContact CG-CB 3.85Å; F378-A539 HydrophobicContact CZ-CB 4.46Å
379C98.8Very high98.7Very high3 Ų38.2 Ų8.22%0.024%0.043CC..Hα-helixtrans-62.3-53.7179.6-170.40000111.9V375 E376 V377 T382 L383 L400 L404V375-C379 WeakPolarHBondContact O-CB 3.46Å; V375-C379 PolarHBondContact O-N 3.26Å; E376-C379 WeakPolarHBondContact O-CB 3.46Å; E376-C379 PolarHBondContact O-N 2.54Å; V377-C379 VanDerWaalsContact C-N 3.27Å; V377-C379 PolarHBondContact O-N 2.7Å; C379-T382 PolarHBondContact O-N 3.3Å; C379-L383 WeakPolarHBondContact O-CG 3.32Å; C379-L383 PolarHBondContact O-N 3.16Å; C379-L400 HydrophobicContact CB-CB 4.49Å; C379-L400 HydrophobicContact CB-CD2 3.93Å; C379-L404 HydrophobicContact CB-CD2 3.98Å; C379-L404 VanDerWaalsContact SG-CG 3.57Å
380V98.9Very high98.7Very high0 Ų08.1 Ų8.10%04%0.043CC..Hα-helixtrans-63.6-45.7-178.21760000110.6W145 V156 E376 T382 L383 R384 L404W145-V380 HydrophobicContact CD2-CB 4.45Å; W145-V380 HydrophobicContact CD2-CG1 3.62Å; W145-V380 HydrophobicContact CE3-CB 4.13Å; W145-V380 HydrophobicContact CE3-CG1 3.7Å; W145-V380 HydrophobicContact CG-CG1 4.38Å; W145-V380 HydrophobicContact CH2-CB 3.55Å; W145-V380 HydrophobicContact CH2-CG1 3.75Å; W145-V380 HydrophobicContact CH2-CG2 4.46Å; W145-V380 HydrophobicContact CZ2-CB 3.89Å; W145-V380 HydrophobicContact CZ2-CG1 3.66Å; W145-V380 HydrophobicContact CZ3-CB 3.67Å; W145-V380 HydrophobicContact CZ3-CG1 3.76Å; W145-V380 HydrophobicContact CZ3-CG2 4.14Å; V156-V380 HydrophobicContact CB-CG2 3.8Å; V156-V380 HydrophobicContact CG2-CG2 4.44Å; E376-V380 HydrophobicContact CG-CG2 4.27Å; E376-V380 WeakPolarHBondContact O-CG2 3.39Å; E376-V380 PolarHBondContact O-N 3.25Å; V380-T382 PolarHBondContact O-N 2.88Å; V380-L383 PolarHBondContact O-N 3.37Å; V380-R384 VanDerWaalsContact CG1-CD 3.44Å; V380-R384 HydrophobicContact CG1-CG 4.35Å; V380-R384 WeakPolarHBondContact O-CB 3.29Å; V380-R384 VanDerWaalsContact O-CD 3.31Å; V380-R384 WeakPolarHBondContact O-CD 3.48Å; V380-R384 WeakPolarHBondContact O-CG 3.43Å; V380-R384 PolarHBondContact O-N 2.92Å; V380-L404 HydrophobicContact CG2-CD2 3.79Å
381A98.9Very high98.7Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-61.6-43.5177.100000112.5W145 V377 L383 R384 Q385 D508 I509W145-A381 HydrophobicContact CZ2-CB 4.18Å; V377-A381 WeakPolarHBondContact O-CB 3.45Å; V377-A381 PolarHBondContact O-N 3.26Å; V377-A381 VanDerWaalsContact O-N 3.09Å; A381-L383 PolarHBondContact O-N 2.84Å; A381-R384 PolarHBondContact O-N 3.38Å; A381-Q385 WeakPolarHBondContact O-CB 3.49Å; A381-Q385 WeakPolarHBondContact O-CG 2.78Å; A381-Q385 PolarHBondContact O-N 3.32Å; A381-D508 HydrophobicContact CB-CB 4.17Å; A381-I509 HydrophobicContact CB-CD1 4.22Å; A381-I509 HydrophobicContact CB-CG1 3.47Å; A381-I509 VanDerWaalsContact CB-CG1 3.47Å
382T98.9Very high98.7Very high0 Ų06.9 Ų6.90%04%0.038CC..Hα-helixtrans-61.1-45.7178.6-620000111.2F378 C379 V380 R384 L386 Y393 L396 L400 W505F378-T382 WeakPolarHBondContact O-CB 3.4Å; F378-T382 PolarHBondContact O-N 2.72Å; F378-T382 PolarHBondContact O-OG1 2.98Å; C379-T382 PolarHBondContact O-N 3.3Å; V380-T382 PolarHBondContact O-N 2.88Å; T382-R384 VanDerWaalsContact C-N 3.29Å; T382-R384 PolarHBondContact O-N 2.97Å; T382-L386 HydrophobicContact CG2-CD1 4.33Å; T382-L386 PolarHBondContact O-N 2.95Å; T382-L386 VanDerWaalsContact O-N 3.17Å; T382-Y393 HydrophobicContact CG2-CD2 3.94Å; T382-L396 HydrophobicContact CG2-CB 4.24Å; T382-L396 HydrophobicContact CG2-CD1 4.16Å; T382-L396 WeakPolarHBondContact OG1-CD1 3.44Å; T382-L400 HydrophobicContact CG2-CD1 3.77Å; T382-W505 PolarHBondContact OG1-NE1 3.4Å
383L98.8Very high98.8Very high18 Ų188 Ų89%0.0944%0.042CC..Hα-helixtrans-65-34.3177.3-69.2167.5000111.5R139 F143 V168 C379 V380 A381 Y393 L404R139-L383 WeakPolarHBondContact CB-O 3.44Å; R139-L383 WeakPolarHBondContact CD-O 3.41Å; F143-L383 HydrophobicContact CD1-CD1 3.95Å; F143-L383 HydrophobicContact CD2-CB 3.79Å; F143-L383 HydrophobicContact CD2-CD1 4.49Å; F143-L383 HydrophobicContact CE1-CD1 3.79Å; F143-L383 HydrophobicContact CE2-CB 4.09Å; F143-L383 HydrophobicContact CE2-CD1 4.35Å; F143-L383 HydrophobicContact CE2-CD2 4.34Å; F143-L383 HydrophobicContact CG-CB 4.01Å; F143-L383 HydrophobicContact CG-CD1 4.3Å; F143-L383 HydrophobicContact CZ-CD1 4Å; F143-L383 HydrophobicContact CZ-CD2 4.39Å; V168-L383 HydrophobicContact CG1-CD1 4.1Å; C379-L383 WeakPolarHBondContact O-CG 3.32Å; C379-L383 PolarHBondContact O-N 3.16Å; V380-L383 PolarHBondContact O-N 3.37Å; A381-L383 PolarHBondContact O-N 2.84Å; L383-Y393 HydrophobicContact CD2-CE2 4.29Å; L383-L404 HydrophobicContact CD1-CD1 3.75Å
384R98.8Very high98.8Very high35 Ų357.6 Ų7.613%0.1324%0.04CC..Hα-helixtrans-80.3-34.6-177.7-72.1165.354.870.40.5114.8Q140 F143 V380 A381 T382 D508Q140-R384 HydrophobicContact CG-CB 4.34Å; Q140-R384 VanDerWaalsContact CG-O 3.25Å; Q140-R384 WeakPolarHBondContact CG-O 3.23Å; Q140-R384 PolarHBondContact NE2-O 3.11Å; Q140-R384 PolarHBondContact O-NH1 2.86Å; F143-R384 HydrophobicContact CB-CG 3.88Å; F143-R384 WeakPolarHBondContact O-CD 3.5Å; F143-R384 WeakPolarHBondContact O-CG 3.42Å; F143-R384 PolarHBondContact O-NH1 3.48Å; V380-R384 VanDerWaalsContact CG1-CD 3.44Å; V380-R384 HydrophobicContact CG1-CG 4.35Å; V380-R384 WeakPolarHBondContact O-CB 3.29Å; V380-R384 VanDerWaalsContact O-CD 3.31Å; V380-R384 WeakPolarHBondContact O-CD 3.48Å; V380-R384 WeakPolarHBondContact O-CG 3.43Å; V380-R384 PolarHBondContact O-N 2.92Å; A381-R384 PolarHBondContact O-N 3.38Å; T382-R384 VanDerWaalsContact C-N 3.29Å; T382-R384 PolarHBondContact O-N 2.97Å; R384-D508 WeakPolarHBondContact CD-OD2 3.33Å; R384-D508 IonicContact CZ-OD2 3.74Å; R384-D508 IonicContact NE-OD1 3.61Å; R384-D508 IonicContact NE-OD2 3.64Å; R384-D508 PolarHBondContact NE-OD2 3.35Å; R384-D508 IonicContact NH2-OD1 3.12Å; R384-D508 IonicContact NH2-OD2 3.84Å
385Q98.9Very high98.8Very high20 Ų207.8 Ų7.89%0.0934%0.041CC..Hα-helixtrans-114.5-18.3-164.8-53.8-55.6-22.500114.3L136 Q140 A381 A504 W505 D508L136-Q385 WeakPolarHBondContact CD2-O 3.35Å; Q140-Q385 VanDerWaalsContact NE2-OE1 3.17Å; A381-Q385 WeakPolarHBondContact O-CB 3.49Å; A381-Q385 WeakPolarHBondContact O-CG 2.78Å; A381-Q385 PolarHBondContact O-N 3.32Å; Q385-A504 HydrophobicContact CB-CB 4.4Å; Q385-A504 HydrophobicContact CG-CB 4.41Å; Q385-W505 HydrophobicContact CB-CB 3.84Å; Q385-W505 HydrophobicContact CG-CB 4.48Å; Q385-D508 HydrophobicContact CG-CB 3.87Å; Q385-D508 WeakPolarHBondContact CG-OD2 3.24Å; Q385-D508 PolarHBondContact NE2-OD2 2.89Å
386L98.9Very high98.8Very high0 Ų07.8 Ų7.80%04%0.041CC..SBendtrans-114.2118.5-177.8-55.4-179.2000110.7R139 T382 H390 M392 E501 L502 W505R139-L386 PolarHBondContact NH1-O 2.72Å; T382-L386 HydrophobicContact CG2-CD1 4.33Å; T382-L386 PolarHBondContact O-N 2.95Å; T382-L386 VanDerWaalsContact O-N 3.17Å; L386-H390 HydrophobicContact CB-CB 4.34Å; L386-M392 HydrophobicContact CD1-CB 3.98Å; L386-E501 HydrophobicContact CD2-CB 4.17Å; L386-L502 HydrophobicContact CD2-CD2 4.16Å; L386-W505 HydrophobicContact CD1-CD2 4.32Å; L386-W505 HydrophobicContact CD1-CG 4.05Å; L386-W505 HydrophobicContact CD2-CB 4Å; L386-W505 HydrophobicContact CD2-CG 4.35Å; L386-W505 HydrophobicContact CG-CB 4.21Å; L386-W505 HydrophobicContact CG-CG 4.12Å
387P98.5Very high98.8Very high0 Ų08.6 Ų8.60%05%0.047CC..  trans-69.6160.5177.429-33.2000111.3R132 E135 L136 V389 H390 Y393 E501R132-P387 HydrophobicContact CG-CB 4.09Å; R132-P387 HydrophobicContact CG-CG 3.84Å; E135-P387 VanDerWaalsContact OE2-CB 3.27Å; E135-P387 WeakPolarHBondContact OE2-CB 3.42Å; L136-P387 HydrophobicContact CD2-CB 4.31Å; L136-P387 HydrophobicContact CG-CB 4.37Å; P387-V389 HydrophobicContact CB-CG1 4.46Å; P387-V389 HydrophobicContact CG-CG1 4.28Å; P387-V389 PolarHBondContact O-N 3.26Å; P387-H390 HydrophobicContact CG-CB 4.04Å; P387-H390 VanDerWaalsContact O-CB 3.25Å; P387-H390 WeakPolarHBondContact O-CB 3.35Å; P387-H390 PolarHBondContact O-N 3.47Å; P387-Y393 WeakPolarHBondContact O-CB 3.39Å; P387-E501 WeakPolarHBondContact CD-OE2 3.35Å; P387-E501 WeakPolarHBondContact CG-OE2 3.47Å
388A98.1Very high98.7Very high35 Ų359.7 Ų9.729%0.2895%0.054SC..THydrogen-bonded Turntrans-57.3-27.1-175.400000114.4E135 Y393 K394E135-A388 VanDerWaalsContact OE1-CB 3.31Å; E135-A388 WeakPolarHBondContact OE1-CB 3.41Å; E135-A388 PolarHBondContact OE1-N 2.79Å; E135-A388 PolarHBondContact OE2-N 3.09Å; A388-Y393 VanDerWaalsContact CA-CD1 3.46Å; A388-Y393 HydrophobicContact CB-CD1 4.37Å; A388-Y393 HydrophobicContact CB-CE1 4.06Å; A388-Y393 WeakPolarHBondContact O-CD1 3.1Å; A388-K394 WeakPolarHBondContact O-CG 3.36Å
389V98.4Very high98.7Very high4 Ų49.7 Ų9.72%0.0246%0.055CC..THydrogen-bonded Turntrans-80.1-17.1179.573.60000113.1R113 A117 K118 P387 K394R113-V389 HydrophobicContact CB-CB 4.48Å; R113-V389 HydrophobicContact CB-CG2 4.36Å; A117-V389 VanDerWaalsContact CA-O 3.31Å; A117-V389 WeakPolarHBondContact CA-O 3.38Å; K118-V389 HydrophobicContact CB-CG2 3.89Å; K118-V389 HydrophobicContact CG-CG2 4.13Å; K118-V389 PolarHBondContact N-O 3.47Å; P387-V389 HydrophobicContact CB-CG1 4.46Å; P387-V389 HydrophobicContact CG-CG1 4.28Å; P387-V389 PolarHBondContact O-N 3.26Å; V389-K394 WeakPolarHBondContact O-CE 3.32Å
390H98.9Very high98.7Very high0 Ų010.4 Ų10.40%06%0.058CC..SBendtrans-67133.8-175.5-167.8-81.6000110.9L386 P387 M392 Y393 K394 Y490 D499 E501L386-H390 HydrophobicContact CB-CB 4.34Å; P387-H390 HydrophobicContact CG-CB 4.04Å; P387-H390 VanDerWaalsContact O-CB 3.25Å; P387-H390 WeakPolarHBondContact O-CB 3.35Å; P387-H390 PolarHBondContact O-N 3.47Å; H390-M392 VanDerWaalsContact C-N 3.28Å; H390-M392 PolarHBondContact ND1-N 3.34Å; H390-M392 PolarHBondContact O-N 2.93Å; H390-Y393 WeakPolarHBondContact O-CB 3.31Å; H390-Y393 PolarHBondContact O-N 3.22Å; H390-K394 PolarHBondContact O-N 3.47Å; H390-Y490 PolarHBondContact CE1-OH 3.42Å; H390-Y490 PolarHBondContact NE2-OH 2.83Å; H390-Y490 VanDerWaalsContact NE2-OH 3.16Å; H390-D499 IonicContact NE2-OD2 3.58Å; H390-D499 PolarHBondContact NE2-OD2 2.85Å; H390-E501 IonicContact CD2-OE2 3.87Å; H390-E501 PolarHBondContact CD2-OE2 3.19Å; H390-E501 VanDerWaalsContact CD2-OE2 3.28Å
391P98.8Very high98.7Very high0 Ų012.8 Ų12.80%07%0.067CC..Hα-helixtrans-57.7-40.6-177.122-33.6000112.4A117 T119 Y393 K394 L395 Y489 Y490 F622A117-P391 HydrophobicContact CB-CB 3.87Å; T119-P391 HydrophobicContact CG2-CG 4.19Å; P391-Y393 PolarHBondContact O-N 3.37Å; P391-K394 PolarHBondContact O-N 3.15Å; P391-L395 WeakPolarHBondContact O-CB 3.43Å; P391-L395 PolarHBondContact O-N 3.34Å; P391-Y489 HydrophobicContact CB-CD1 4.02Å; P391-Y489 HydrophobicContact CB-CD2 3.35Å; P391-Y489 HydrophobicContact CB-CE1 4.32Å; P391-Y489 HydrophobicContact CB-CE2 3.72Å; P391-Y489 HydrophobicContact CB-CG 3.53Å; P391-Y489 HydrophobicContact CG-CD1 4.31Å; P391-Y489 HydrophobicContact CG-CD2 4.16Å; P391-Y489 HydrophobicContact CG-CG 3.86Å; P391-Y490 HydrophobicContact CG-CE2 4.44Å; P391-F622 HydrophobicContact CB-CE1 4.47Å; P391-F622 WeakPolarHBondContact O-CZ 3.38Å
392M98.8Very high98.6Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-71.9-25.7178.5-56.5-57.497.800113.7L386 H390 L395 L396 V486 Y489 Y490 L502 L532 L536L386-M392 HydrophobicContact CD1-CB 3.98Å; H390-M392 VanDerWaalsContact C-N 3.28Å; H390-M392 PolarHBondContact ND1-N 3.34Å; H390-M392 PolarHBondContact O-N 2.93Å; M392-L395 HydrophobicContact CE-CD2 4.25Å; M392-L395 HydrophobicContact SD-CD2 4.11Å; M392-L396 WeakPolarHBondContact O-CB 3.3Å; M392-L396 WeakPolarHBondContact O-CG 3.42Å; M392-L396 PolarHBondContact O-N 3.31Å; M392-L396 VanDerWaalsContact O-N 3.11Å; M392-V486 HydrophobicContact CE-CG2 4.31Å; M392-V486 HydrophobicContact SD-CG2 3.97Å; M392-Y489 HydrophobicContact CE-CD2 4.48Å; M392-Y490 HydrophobicContact CE-CE2 4.4Å; M392-Y490 HydrophobicContact CG-CE2 4.4Å; M392-L502 HydrophobicContact CB-CD2 4.21Å; M392-L502 HydrophobicContact CG-CD2 3.88Å; M392-L532 HydrophobicContact SD-CD2 4.36Å; M392-L536 HydrophobicContact CG-CD1 4.35Å; M392-L536 HydrophobicContact SD-CD1 3.25Å; M392-L536 WeakPolarHBondContact SD-CD1 3.39Å; M392-L536 HydrophobicContact SD-CD2 4.34Å; M392-L536 HydrophobicContact SD-CG 4.41Å
393Y98.9Very high98.6Very high35 Ų3513.2 Ų13.214%0.1377%0.069CC..Hα-helixtrans-66.4-49.6168.8172.6-88.6000110T382 L383 P387 A388 H390 P391 L395 L396 A397T382-Y393 HydrophobicContact CG2-CD2 3.94Å; L383-Y393 HydrophobicContact CD2-CE2 4.29Å; P387-Y393 WeakPolarHBondContact O-CB 3.39Å; A388-Y393 VanDerWaalsContact CA-CD1 3.46Å; A388-Y393 HydrophobicContact CB-CD1 4.37Å; A388-Y393 HydrophobicContact CB-CE1 4.06Å; A388-Y393 WeakPolarHBondContact O-CD1 3.1Å; H390-Y393 WeakPolarHBondContact O-CB 3.31Å; H390-Y393 PolarHBondContact O-N 3.22Å; P391-Y393 PolarHBondContact O-N 3.37Å; Y393-L395 VanDerWaalsContact C-N 3.26Å; Y393-L395 PolarHBondContact O-N 3.07Å; Y393-L396 PolarHBondContact O-N 2.89Å; Y393-A397 HydrophobicContact CD1-CB 4.45Å; Y393-A397 HydrophobicContact CE1-CB 4.09Å; Y393-A397 VanDerWaalsContact O-CB 3.31Å; Y393-A397 WeakPolarHBondContact O-CB 3.18Å; Y393-A397 PolarHBondContact O-N 3.43Å
394K98.8Very high98.6Very high8 Ų812.4 Ų12.44%0.0356%0.064CC..Hα-helixtrans-59.5-38.6-179.6-65.1176.2177.5-720111.8G115 A117 A388 V389 H390 P391 P398 H621 F622G115-K394 WeakPolarHBondContact O-CE 3.38Å; G115-K394 PolarHBondContact O-NZ 3Å; A117-K394 HydrophobicContact CB-CD 3.68Å; A388-K394 WeakPolarHBondContact O-CG 3.36Å; V389-K394 WeakPolarHBondContact O-CE 3.32Å; H390-K394 PolarHBondContact O-N 3.47Å; P391-K394 PolarHBondContact O-N 3.15Å; K394-P398 WeakPolarHBondContact O-CD 3.24Å; K394-H621 HydrophobicContact CB-CB 3.86Å; K394-H621 WeakPolarHBondContact CD-O 3.24Å; K394-H621 HydrophobicContact CG-CB 3.99Å; K394-H621 PolarHBondContact NZ-O 3.31Å; K394-F622 HydrophobicContact CB-CD1 4.3Å; K394-F622 HydrophobicContact CB-CD2 4.13Å; K394-F622 HydrophobicContact CB-CE1 3.82Å; K394-F622 HydrophobicContact CB-CE2 3.63Å; K394-F622 HydrophobicContact CB-CG 4.45Å; K394-F622 HydrophobicContact CB-CZ 3.46Å; K394-F622 VanDerWaalsContact CB-CZ 3.46Å; K394-F622 HydrophobicContact CD-CD1 3.96Å; K394-F622 HydrophobicContact CD-CE1 3.87Å; K394-F622 HydrophobicContact CD-CZ 4.39Å
395L98.9Very high98.6Very high4 Ų410.8 Ų10.82%0.0216%0.058CC..Hα-helixtrans-65.4-45.7175.6-178.162.3000112P391 M392 Y393 H399 F481 V482 M485 L536 I540 F622P391-L395 WeakPolarHBondContact O-CB 3.43Å; P391-L395 PolarHBondContact O-N 3.34Å; M392-L395 HydrophobicContact CE-CD2 4.25Å; M392-L395 HydrophobicContact SD-CD2 4.11Å; Y393-L395 VanDerWaalsContact C-N 3.26Å; Y393-L395 PolarHBondContact O-N 3.07Å; L395-H399 PolarHBondContact O-CD2 3.35Å; L395-H399 VanDerWaalsContact O-CD2 3.3Å; L395-F481 HydrophobicContact CD1-CE1 3.63Å; L395-F481 HydrophobicContact CD1-CZ 3.82Å; L395-V482 HydrophobicContact CD2-CG1 4.42Å; L395-V482 HydrophobicContact CD2-CG2 4.45Å; L395-M485 HydrophobicContact CD1-CB 4.46Å; L395-M485 HydrophobicContact CD1-CE 4.33Å; L395-M485 HydrophobicContact CD1-CG 4.25Å; L395-M485 HydrophobicContact CD2-CB 4.36Å; L395-L536 HydrophobicContact CD2-CD1 4.18Å; L395-I540 HydrophobicContact CD1-CD1 4.47Å; L395-I540 HydrophobicContact CG-CD1 4.25Å; L395-F622 HydrophobicContact CB-CE2 4.25Å; L395-F622 HydrophobicContact CB-CZ 4.24Å
396L98.9Very high98.5Very high1 Ų110.1 Ų10.11%0.0056%0.055CC..Hα-helixtrans-82-27.1-175.8-70.1172.8000114T382 M392 Y393 P398 H399 L400 W505 L536 A539 I540T382-L396 HydrophobicContact CG2-CB 4.24Å; T382-L396 HydrophobicContact CG2-CD1 4.16Å; T382-L396 WeakPolarHBondContact OG1-CD1 3.44Å; M392-L396 WeakPolarHBondContact O-CB 3.3Å; M392-L396 WeakPolarHBondContact O-CG 3.42Å; M392-L396 PolarHBondContact O-N 3.31Å; M392-L396 VanDerWaalsContact O-N 3.11Å; Y393-L396 PolarHBondContact O-N 2.89Å; L396-P398 VanDerWaalsContact C-CD 3.49Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.45Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 2.65Å; L396-L400 HydrophobicContact CB-CD1 3.95Å; L396-L400 HydrophobicContact CB-CG 4.46Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.05Å; L396-W505 HydrophobicContact CD1-CZ2 3.78Å; L396-L536 HydrophobicContact CD1-CD2 3.7Å; L396-L536 HydrophobicContact CD2-CD2 3.85Å; L396-L536 HydrophobicContact CG-CD2 3.82Å; L396-A539 HydrophobicContact CD2-CB 4.08Å; L396-I540 HydrophobicContact CD2-CD1 4.39Å; L396-I540 HydrophobicContact CD2-CG1 4.02Å
397A98.4Very high98.5Very high17 Ų1710.4 Ų10.414%0.146%0.057CC..G310 helixtrans-52.8-44.7-171.900000114.2Y393 H399 L400Y393-A397 HydrophobicContact CD1-CB 4.45Å; Y393-A397 HydrophobicContact CE1-CB 4.09Å; Y393-A397 VanDerWaalsContact O-CB 3.31Å; Y393-A397 WeakPolarHBondContact O-CB 3.18Å; Y393-A397 PolarHBondContact O-N 3.43Å; A397-H399 PolarHBondContact O-N 3.24Å; A397-L400 PolarHBondContact O-N 3.28Å
398P98.3Very high98.5Very high23 Ų2310.5 Ų10.515%0.1496%0.057CC..G310 helixtrans-62.4-26.8175.4-21.133.6000113.3K394 L396 Y617K394-P398 WeakPolarHBondContact O-CD 3.24Å; L396-P398 VanDerWaalsContact C-CD 3.49Å; P398-Y617 HydrophobicContact CB-CD1 3.61Å; P398-Y617 HydrophobicContact CB-CE1 3.83Å; P398-Y617 HydrophobicContact CG-CD1 3.75Å; P398-Y617 HydrophobicContact CG-CE1 4.08Å; P398-Y617 HydrophobicContact CG-CG 4.45Å
399H98.8Very high98.4Very high1 Ų19 Ų91%0.0054%0.044CC..G310 helixtrans-90.3-0.5-174.4-61.2-63.8000114.7L395 L396 A397 I540 S543 Y617 N666 S667L395-H399 PolarHBondContact O-CD2 3.35Å; L395-H399 VanDerWaalsContact O-CD2 3.3Å; L396-H399 CarbonylContact O-C 3.55Å; L396-H399 WeakPolarHBondContact O-CA 3.45Å; L396-H399 WeakPolarHBondContact O-CB 3.42Å; L396-H399 PolarHBondContact O-N 2.65Å; A397-H399 PolarHBondContact O-N 3.24Å; H399-I540 HydrophobicContact CB-CG1 4.27Å; H399-S543 WeakPolarHBondContact O-CB 3.3Å; H399-S543 PolarHBondContact O-OG 3.12Å; H399-S543 VanDerWaalsContact O-OG 3.1Å; H399-Y617 AromaticContact CE1-CE1 3.88Å; H399-Y617 AromaticContact NE2-CE1 3.65Å; H399-Y617 AromaticContact NE2-CZ 3.81Å; H399-Y617 PolarHBondContact NE2-OH 3.43Å; H399-Y617 VanDerWaalsContact NE2-OH 3.13Å; H399-N666 WeakPolarHBondContact CA-O 3.49Å; H399-N666 PolarHBondContact CE1-OD1 2.92Å; H399-N666 VanDerWaalsContact CE1-OD1 3.28Å; H399-N666 PolarHBondContact ND1-O 2.96Å; H399-S667 VanDerWaalsContact C-CB 3.41Å; H399-S667 VanDerWaalsContact O-CB 3.3Å; H399-S667 WeakPolarHBondContact O-CB 3.44Å
400L98.4Very high98.3Very high17 Ų179.2 Ų9.29%0.0895%0.048CC..SBendtrans-119.6-0.8-179-60.2173.6000112.7V375 C379 T382 L396 A397 Y402 T403V375-L400 HydrophobicContact CG1-CD2 3.99Å; C379-L400 HydrophobicContact CB-CB 4.49Å; C379-L400 HydrophobicContact CB-CD2 3.93Å; T382-L400 HydrophobicContact CG2-CD1 3.77Å; L396-L400 HydrophobicContact CB-CD1 3.95Å; L396-L400 HydrophobicContact CB-CG 4.46Å; L396-L400 WeakPolarHBondContact O-CG 3.46Å; L396-L400 PolarHBondContact O-N 3.05Å; A397-L400 PolarHBondContact O-N 3.28Å; L400-Y402 PolarHBondContact O-N 3.09Å; L400-T403 PolarHBondContact O-N 3.21Å; L400-T403 PolarHBondContact O-OG1 2.94Å
401R97.8Very high98.2Very high50 Ų5010 Ų1019%0.1895%0.05CC..THydrogen-bonded Turntrans-54127.3-178.7179.7177.9-180-105.26.8109.8T403 D610 S667R401-T403 PolarHBondContact O-N 3.42Å; R401-T403 VanDerWaalsContact O-N 3.1Å; R401-D610 IonicContact CZ-OD2 3.1Å; R401-D610 IonicContact NH1-OD2 3.61Å; R401-D610 PolarHBondContact NH1-OD2 3.03Å; R401-D610 IonicContact NH2-OD2 2.71Å; R401-D610 PolarHBondContact NH2-OD2 3.25Å; R401-S667 WeakPolarHBondContact O-CB 3.44Å; R401-S667 PolarHBondContact O-OG 2.95Å
402Y98.2Very high98Very high10 Ų1012.2 Ų12.24%0.0396%0.064CC..THydrogen-bonded Turntrans64.20.2176.7-56.3-26.9000118.2R169 F170 D171 K174 L400 L404 E405 I406 D610 T669R169-Y402 WeakPolarHBondContact O-CD1 3.28Å; R169-Y402 WeakPolarHBondContact O-CE1 3.46Å; F170-Y402 AromaticContact CD1-CD1 3.88Å; F170-Y402 HydrophobicContact CD1-CD1 3.88Å; F170-Y402 AromaticContact CD1-CD2 3.38Å; F170-Y402 HydrophobicContact CD1-CD2 3.38Å; F170-Y402 HydrophobicContact CD1-CE1 4.29Å; F170-Y402 AromaticContact CD1-CE2 3.74Å; F170-Y402 HydrophobicContact CD1-CE2 3.74Å; F170-Y402 AromaticContact CD1-CG 3.41Å; F170-Y402 HydrophobicContact CD1-CG 3.41Å; F170-Y402 VanDerWaalsContact CD1-CG 3.41Å; F170-Y402 VanDerWaalsContact CE1-CB 3.48Å; F170-Y402 AromaticContact CE1-CD2 3.58Å; F170-Y402 HydrophobicContact CE1-CD2 3.58Å; F170-Y402 HydrophobicContact CE1-CE2 4.31Å; F170-Y402 AromaticContact CE1-CG 3.65Å; F170-Y402 HydrophobicContact CE1-CG 3.65Å; D171-Y402 VanDerWaalsContact CB-OH 3.29Å; D171-Y402 WeakPolarHBondContact CB-OH 3.33Å; D171-Y402 PolarHBondContact N-OH 2.8Å; D171-Y402 PolarHBondContact OD1-OH 3.4Å; D171-Y402 PolarHBondContact OD2-OH 3.13Å; K174-Y402 HydrophobicContact CG-CE2 4.05Å; L400-Y402 PolarHBondContact O-N 3.09Å; Y402-L404 VanDerWaalsContact C-N 3.29Å; Y402-L404 PolarHBondContact O-N 2.81Å; Y402-E405 PolarHBondContact O-N 3.31Å; Y402-I406 WeakPolarHBondContact O-CG2 3.43Å; Y402-I406 PolarHBondContact O-N 3.42Å; Y402-D610 WeakPolarHBondContact CE2-OD2 3.38Å; Y402-T669 HydrophobicContact CD2-CG2 4.16Å
403T98.7Very high97.7Very high0 Ų015.8 Ų15.80%08%0.081CC..Hα-helixtrans-59.9-39.5-177.7-57.70000112.3V375 E376 L400 R401 I406 N407 I668V375-T403 HydrophobicContact CB-CG2 4.36Å; V375-T403 HydrophobicContact CG1-CG2 3.96Å; E376-T403 HydrophobicContact CB-CG2 4.49Å; L400-T403 PolarHBondContact O-N 3.21Å; L400-T403 PolarHBondContact O-OG1 2.94Å; R401-T403 PolarHBondContact O-N 3.42Å; R401-T403 VanDerWaalsContact O-N 3.1Å; T403-I406 WeakPolarHBondContact O-CG2 3.33Å; T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.43Å; T403-N407 VanDerWaalsContact O-CG 3.24Å; T403-N407 PolarHBondContact O-N 3.28Å; T403-N407 VanDerWaalsContact O-N 3.08Å; T403-N407 PolarHBondContact O-OD1 2.85Å; T403-I668 HydrophobicContact CG2-CB 4.47Å; T403-I668 PolarHBondContact N-O 3.21Å; T403-I668 PolarHBondContact OG1-O 2.88Å
404L98.6Very high97.4Very high1 Ų115.8 Ų15.81%0.0058%0.083CC..Hα-helixtrans-65.2-46177.1-60-172.2000112.4F143 V156 L164 V168 E376 C379 V380 L383 Y402 N407 C408F143-L404 HydrophobicContact CD1-CD1 4.18Å; F143-L404 HydrophobicContact CE1-CD1 4.18Å; V156-L404 HydrophobicContact CB-CD2 4.21Å; V156-L404 HydrophobicContact CG1-CB 4.48Å; V156-L404 HydrophobicContact CG1-CD2 4.17Å; V156-L404 HydrophobicContact CG2-CD1 4.35Å; L164-L404 HydrophobicContact CD1-CB 4.12Å; L164-L404 HydrophobicContact CD2-CB 4.26Å; V168-L404 HydrophobicContact CB-CD1 4.33Å; V168-L404 HydrophobicContact CG1-CD1 4.37Å; V168-L404 HydrophobicContact CG2-CD1 4.17Å; E376-L404 HydrophobicContact CG-CD2 3.84Å; C379-L404 HydrophobicContact CB-CD2 3.98Å; C379-L404 VanDerWaalsContact SG-CG 3.57Å; V380-L404 HydrophobicContact CG2-CD2 3.79Å; L383-L404 HydrophobicContact CD1-CD1 3.75Å; Y402-L404 VanDerWaalsContact C-N 3.29Å; Y402-L404 PolarHBondContact O-N 2.81Å; L404-N407 PolarHBondContact O-N 3.18Å; L404-C408 WeakPolarHBondContact O-CB 3.3Å; L404-C408 PolarHBondContact O-N 3.46Å; L404-C408 PolarHBondContact O-SG 2.74Å
405E97.9Very high97.3Very high1 Ų116.2 Ų16.21%0.0059%0.086CC..Hα-helixtrans-58.7-51.9178.7174.182.9-172.100111.1E161 L164 R169 F170 Y402 N407 C408 R409E161-E405 WeakPolarHBondContact CB-OE1 3.11Å; E161-E405 WeakPolarHBondContact CB-OE2 3.08Å; E161-E405 WeakPolarHBondContact CG-OE1 3.02Å; L164-E405 HydrophobicContact CD1-CB 4.22Å; R169-E405 VanDerWaalsContact CA-OE2 3.29Å; R169-E405 WeakPolarHBondContact CA-OE2 3.42Å; R169-E405 WeakPolarHBondContact CB-OE2 3.19Å; R169-E405 VanDerWaalsContact CG-OE2 3.26Å; R169-E405 WeakPolarHBondContact CG-OE2 3.39Å; R169-E405 IonicContact NE-OE2 2.74Å; F170-E405 HydrophobicContact CB-CG 4.19Å; F170-E405 HydrophobicContact CD1-CG 3.94Å; F170-E405 HydrophobicContact CD2-CG 3.63Å; F170-E405 HydrophobicContact CE1-CG 4.25Å; F170-E405 HydrophobicContact CE2-CG 3.94Å; F170-E405 HydrophobicContact CG-CG 3.62Å; F170-E405 HydrophobicContact CZ-CG 4.24Å; Y402-E405 PolarHBondContact O-N 3.31Å; E405-N407 VanDerWaalsContact C-N 3.33Å; E405-N407 PolarHBondContact O-N 3.35Å; E405-C408 WeakPolarHBondContact O-CB 3.44Å; E405-C408 PolarHBondContact O-N 2.95Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 3.32Å; E405-R409 IonicContact OE1-CZ 3.68Å; E405-R409 VanDerWaalsContact OE1-CZ 3.25Å; E405-R409 IonicContact OE1-NE 3.77Å; E405-R409 PolarHBondContact OE1-NE 3.21Å; E405-R409 IonicContact OE1-NH2 2.66Å; E405-R409 PolarHBondContact OE1-NH2 2.94Å
406I97.9Very high97Very high6 Ų617.1 Ų17.13%0.0319%0.092CC..Hα-helixtrans-67.6-35.8-176.2-169.358.3000111.9F170 F178 Y402 T403 R409 G410 I668 I670F170-I406 HydrophobicContact CE2-CD1 4.44Å; F170-I406 HydrophobicContact CZ-CB 4.11Å; F170-I406 HydrophobicContact CZ-CD1 4.1Å; F178-I406 HydrophobicContact CD2-CD1 4.45Å; F178-I406 HydrophobicContact CE2-CD1 3.53Å; F178-I406 HydrophobicContact CZ-CD1 3.86Å; Y402-I406 WeakPolarHBondContact O-CG2 3.43Å; Y402-I406 PolarHBondContact O-N 3.42Å; T403-I406 WeakPolarHBondContact O-CG2 3.33Å; I406-R409 HydrophobicContact CD1-CB 4.46Å; I406-R409 CarbonylContact O-C 3.52Å; I406-R409 PolarHBondContact O-N 3.44Å; I406-G410 PolarHBondContact O-N 2.51Å; I406-I668 HydrophobicContact CG2-CG2 4.12Å; I406-I670 VanDerWaalsContact CD1-OXT 3.3Å; I406-I670 WeakPolarHBondContact CD1-OXT 3.37Å; I406-I670 VanDerWaalsContact CG1-C 3.4Å; I406-I670 WeakPolarHBondContact CG1-OXT 3.41Å
407N98.5Very high96.7Very high6 Ų622.3 Ų22.33%0.03213%0.126CC..Hα-helixtrans-69-36.3175.7-74.117.2000112.4H372 E376 T403 L404 E405 G410 R411H372-N407 VanDerWaalsContact C-ND2 3.35Å; H372-N407 WeakPolarHBondContact CB-OD1 3.48Å; H372-N407 PolarHBondContact ND1-OD1 3.41Å; H372-N407 PolarHBondContact O-ND2 3.11Å; E376-N407 VanDerWaalsContact CB-ND2 3.33Å; E376-N407 WeakPolarHBondContact CB-ND2 3.29Å; E376-N407 WeakPolarHBondContact OE2-CB 3.26Å; E376-N407 PolarHBondContact OE2-ND2 2.83Å; T403-N407 VanDerWaalsContact O-CB 3.31Å; T403-N407 WeakPolarHBondContact O-CB 3.43Å; T403-N407 VanDerWaalsContact O-CG 3.24Å; T403-N407 PolarHBondContact O-N 3.28Å; T403-N407 VanDerWaalsContact O-N 3.08Å; T403-N407 PolarHBondContact O-OD1 2.85Å; L404-N407 PolarHBondContact O-N 3.18Å; E405-N407 VanDerWaalsContact C-N 3.33Å; E405-N407 PolarHBondContact O-N 3.35Å; N407-G410 PolarHBondContact O-N 3.34Å; N407-R411 WeakPolarHBondContact O-CG 3.33Å; N407-R411 PolarHBondContact O-N 2.91Å
408C97.8Very high96.4Very high1 Ų128.1 Ų28.11%0.00716%0.155CC..Hα-helixtrans-60.3-45.2169.8-80.40000111.4E161 L164 L404 E405 R411 T412E161-C408 HydrophobicContact CB-CB 4.3Å; L164-C408 HydrophobicContact CD1-CB 4.33Å; L404-C408 WeakPolarHBondContact O-CB 3.3Å; L404-C408 PolarHBondContact O-N 3.46Å; L404-C408 PolarHBondContact O-SG 2.74Å; E405-C408 WeakPolarHBondContact O-CB 3.44Å; E405-C408 PolarHBondContact O-N 2.95Å; C408-R411 PolarHBondContact O-N 3.36Å; C408-R411 PolarHBondContact SG-NH2 2.8Å; C408-R411 VanDerWaalsContact SG-NH2 3.44Å; C408-T412 WeakPolarHBondContact O-CG2 3.49Å; C408-T412 PolarHBondContact O-N 3.46Å; C408-T412 PolarHBondContact O-OG1 2.66Å
409R96.2Very high96.2Very high3 Ų327.2 Ų27.21%0.01115%0.149CC..Hα-helixtrans-63.7-39.8174.7-69.5175.6180-89.9-7.1112.2E161 E179 E405 I406 R411 T412 Q413E161-R409 HydrophobicContact CB-CG 4.3Å; E161-R409 HydrophobicContact CG-CG 4.41Å; E179-R409 IonicContact OE1-NH1 3.83Å; E179-R409 PolarHBondContact OE1-NH1 3.48Å; E179-R409 IonicContact OE1-NH2 3.55Å; E405-R409 WeakPolarHBondContact O-CG 3.45Å; E405-R409 PolarHBondContact O-N 3.32Å; E405-R409 IonicContact OE1-CZ 3.68Å; E405-R409 VanDerWaalsContact OE1-CZ 3.25Å; E405-R409 IonicContact OE1-NE 3.77Å; E405-R409 PolarHBondContact OE1-NE 3.21Å; E405-R409 IonicContact OE1-NH2 2.66Å; E405-R409 PolarHBondContact OE1-NH2 2.94Å; I406-R409 HydrophobicContact CD1-CB 4.46Å; I406-R409 CarbonylContact O-C 3.52Å; I406-R409 PolarHBondContact O-N 3.44Å; R409-R411 PolarHBondContact O-N 3.29Å; R409-T412 PolarHBondContact O-N 2.76Å; R409-T412 PolarHBondContact O-OG1 3.31Å; R409-Q413 VanDerWaalsContact O-CB 3.25Å; R409-Q413 WeakPolarHBondContact O-CB 3.43Å; R409-Q413 WeakPolarHBondContact O-CG 3.49Å; R409-Q413 PolarHBondContact O-N 3.02Å
410G96.2Very high95.9Very high10 Ų1028.1 Ų28.110%0.10315%0.154CC..Iπ-helixtrans-58.2-47.7173.800000111.7I406 N407 T412 L414 I415I406-G410 PolarHBondContact O-N 2.51Å; N407-G410 PolarHBondContact O-N 3.34Å; G410-T412 PolarHBondContact O-N 3.05Å; G410-L414 WeakPolarHBondContact O-CA 3.4Å; G410-L414 VanDerWaalsContact O-CB 3.32Å; G410-L414 WeakPolarHBondContact O-CB 3.47Å; G410-L414 PolarHBondContact O-N 2.84Å; G410-I415 PolarHBondContact O-N 3.42Å; G410-I415 VanDerWaalsContact O-N 3.08Å
411R96.6Very high95.8Very high15 Ų1528 Ų286%0.05715%0.153CC..Iπ-helixtrans-59.3-42175.2-78.9-175.8-74.5-89.64.4113.1W148 E376 N407 C408 R409 I415 S416W148-R411 HydrophobicContact CD2-CG 4.24Å; W148-R411 HydrophobicContact CG-CG 4.41Å; E376-R411 IonicContact OE1-CZ 3.76Å; E376-R411 IonicContact OE1-NH1 3.35Å; E376-R411 PolarHBondContact OE1-NH1 3.04Å; E376-R411 IonicContact OE1-NH2 2.78Å; E376-R411 PolarHBondContact OE1-NH2 3.19Å; E376-R411 IonicContact OE2-CZ 3.69Å; E376-R411 IonicContact OE2-NH1 3.49Å; E376-R411 PolarHBondContact OE2-NH1 3.05Å; E376-R411 IonicContact OE2-NH2 3.25Å; N407-R411 WeakPolarHBondContact O-CG 3.33Å; N407-R411 PolarHBondContact O-N 2.91Å; C408-R411 PolarHBondContact O-N 3.36Å; C408-R411 PolarHBondContact SG-NH2 2.8Å; C408-R411 VanDerWaalsContact SG-NH2 3.44Å; R409-R411 PolarHBondContact O-N 3.29Å; R411-I415 HydrophobicContact CG-CD1 4.22Å; R411-S416 VanDerWaalsContact O-CB 3.28Å; R411-S416 WeakPolarHBondContact O-CB 3.38Å; R411-S416 PolarHBondContact O-N 3.45Å
412T94.6Very high95.7Very high47 Ų4729.1 Ų29.129%0.28816%0.159SC..Iπ-helixtrans-84.7-35.8-175.557.60000113.6K159 A160 C408 R409 G410 S416K159-T412 VanDerWaalsContact O-CG2 3.26Å; K159-T412 WeakPolarHBondContact O-CG2 3.45Å; A160-T412 HydrophobicContact CB-CG2 4.46Å; C408-T412 WeakPolarHBondContact O-CG2 3.49Å; C408-T412 PolarHBondContact O-N 3.46Å; C408-T412 PolarHBondContact O-OG1 2.66Å; R409-T412 PolarHBondContact O-N 2.76Å; R409-T412 PolarHBondContact O-OG1 3.31Å; G410-T412 PolarHBondContact O-N 3.05Å; T412-S416 VanDerWaalsContact O-CB 3.25Å; T412-S416 WeakPolarHBondContact O-CB 3.44Å; T412-S416 PolarHBondContact O-OG 2.87Å
413Q93.1Very high95.6Very high75 Ų7536 Ų3635%0.3519%0.185SC..Iπ-helixtrans-106-29.7-169.5-53.4-17714.700114R409 G419 I420R409-Q413 VanDerWaalsContact O-CB 3.25Å; R409-Q413 WeakPolarHBondContact O-CB 3.43Å; R409-Q413 WeakPolarHBondContact O-CG 3.49Å; R409-Q413 PolarHBondContact O-N 3.02Å; Q413-G419 CarbonylContact O-C 3.33Å; Q413-G419 WeakPolarHBondContact O-CA 3.3Å; Q413-I420 PolarHBondContact O-N 2.92Å
414L93.8Very high95.4Very high35 Ų3536.5 Ų36.518%0.18319%0.188CC..Iπ-helixtrans-99.6-58.3-175.9-58.6-178.9000112G410 G419 I420 F421 I600G410-L414 WeakPolarHBondContact O-CA 3.4Å; G410-L414 VanDerWaalsContact O-CB 3.32Å; G410-L414 WeakPolarHBondContact O-CB 3.47Å; G410-L414 PolarHBondContact O-N 2.84Å; L414-G419 CarbonylContact O-C 3.34Å; L414-G419 WeakPolarHBondContact O-CA 3.23Å; L414-I420 HydrophobicContact CD2-CB 4.16Å; L414-I420 HydrophobicContact CD2-CD1 3.77Å; L414-I420 HydrophobicContact CD2-CG1 4.18Å; L414-I420 PolarHBondContact O-N 2.86Å; L414-F421 HydrophobicContact CB-CD2 4.22Å; L414-F421 HydrophobicContact CB-CE2 4.42Å; L414-F421 PolarHBondContact O-N 2.88Å; L414-I600 HydrophobicContact CD2-CD1 4.01Å; L414-I600 HydrophobicContact CD2-CG1 4.46Å
415I94.7Very high95.4Very high18 Ų1836.7 Ų36.79%0.09219%0.189CC..SBendtrans-1033.5-167.669.4178.5000113.8W148 L368 G410 R411 F421 L432W148-I415 HydrophobicContact CH2-CD1 3.46Å; W148-I415 VanDerWaalsContact CH2-CD1 3.46Å; W148-I415 HydrophobicContact CH2-CG1 3.83Å; W148-I415 HydrophobicContact CZ2-CD1 3.92Å; W148-I415 HydrophobicContact CZ2-CG1 3.96Å; W148-I415 HydrophobicContact CZ3-CD1 3.83Å; L368-I415 HydrophobicContact CD2-CD1 4.15Å; L368-I415 HydrophobicContact CD2-CG2 3.9Å; G410-I415 PolarHBondContact O-N 3.42Å; G410-I415 VanDerWaalsContact O-N 3.08Å; R411-I415 HydrophobicContact CG-CD1 4.22Å; I415-F421 HydrophobicContact CG2-CD2 4.2Å; I415-F421 HydrophobicContact CG2-CE2 4.46Å; I415-L432 HydrophobicContact CB-CD1 3.78Å; I415-L432 HydrophobicContact CB-CD2 4.08Å; I415-L432 HydrophobicContact CG2-CD1 3.7Å; I415-L432 HydrophobicContact CG2-CD2 4.35Å
416S93.5Very high95.4Very high22 Ų2236.6 Ų36.615%0.15419%0.189CC..SBendtrans-69.7165.8174.975.20000112.3R411 T412 N418 G419R411-S416 VanDerWaalsContact O-CB 3.28Å; R411-S416 WeakPolarHBondContact O-CB 3.38Å; R411-S416 PolarHBondContact O-N 3.45Å; T412-S416 VanDerWaalsContact O-CB 3.25Å; T412-S416 WeakPolarHBondContact O-CB 3.44Å; T412-S416 PolarHBondContact O-OG 2.87Å; S416-N418 PolarHBondContact O-N 2.85Å; S416-N418 PolarHBondContact OG-N 2.89Å; S416-G419 PolarHBondContact O-N 3.14Å; S416-G419 PolarHBondContact OG-N 2.89Å; S416-G419 VanDerWaalsContact OG-N 3.1Å
417P92.9Very high95.3Very high111 Ų11136.3 Ų36.372%0.72119%0.187SC*.THydrogen-bonded Turntrans-57.5-18.2175.2-27.336.2000115.2K422P417-K422 WeakPolarHBondContact O-CG 3.31Å
418N91.5Very high95.1Very high139 Ų13936.1 Ų36.174%0.74319%0.187SC*.THydrogen-bonded Turntrans-114.86176.2-63.8-49.5000112.7S416S416-N418 PolarHBondContact O-N 2.85Å; S416-N418 PolarHBondContact OG-N 2.89Å
419G94.1Very high94.9Very high3 Ų337.4 Ų37.43%0.03120%0.2CC..SBendtrans-75.1175-174.500000114Q413 L414 S416 F421 K422 R423Q413-G419 CarbonylContact O-C 3.33Å; Q413-G419 WeakPolarHBondContact O-CA 3.3Å; L414-G419 CarbonylContact O-C 3.34Å; L414-G419 WeakPolarHBondContact O-CA 3.23Å; S416-G419 PolarHBondContact O-N 3.14Å; S416-G419 PolarHBondContact OG-N 2.89Å; S416-G419 VanDerWaalsContact OG-N 3.1Å; G419-F421 VanDerWaalsContact C-N 3.32Å; G419-F421 PolarHBondContact O-N 3.44Å; G419-K422 PolarHBondContact O-N 3.3Å; G419-R423 WeakPolarHBondContact O-CG 3.41Å; G419-R423 PolarHBondContact O-N 3.29Å
420I93.7Very high94.7Very high20 Ų2043.5 Ų43.510%0.10323%0.233CC..Hα-helixtrans-57.7-42.1-177.1-64.8-177.5000111.9L182 Q413 L414 K422 R423 V424 V596 I600L182-I420 HydrophobicContact CD2-CD1 4.41Å; Q413-I420 PolarHBondContact O-N 2.92Å; L414-I420 HydrophobicContact CD2-CB 4.16Å; L414-I420 HydrophobicContact CD2-CD1 3.77Å; L414-I420 HydrophobicContact CD2-CG1 4.18Å; L414-I420 PolarHBondContact O-N 2.86Å; I420-K422 PolarHBondContact O-N 3.24Å; I420-R423 PolarHBondContact O-N 3.47Å; I420-V424 HydrophobicContact CG2-CG2 3.88Å; I420-V424 WeakPolarHBondContact O-CG2 3.26Å; I420-V424 PolarHBondContact O-N 3.2Å; I420-V596 HydrophobicContact CG2-CG1 4.02Å; I420-I600 HydrophobicContact CD1-CD1 3.79Å; I420-I600 HydrophobicContact CD1-CG1 4.14Å
421F95.2Very high94.7Very high16 Ų1643.1 Ų43.17%0.0723%0.228CC..Hα-helixtrans-58.6-47.2-179.5-87.1-102.7000111.7Q363 L364 L414 I415 G419 R423 V424 V425 G428 L432Q363-F421 HydrophobicContact CB-CE1 4.28Å; Q363-F421 HydrophobicContact CB-CZ 3.95Å; L364-F421 HydrophobicContact CD1-CD1 4.49Å; L364-F421 HydrophobicContact CD1-CE1 4.19Å; L364-F421 HydrophobicContact CD2-CD1 3.92Å; L364-F421 HydrophobicContact CD2-CE1 3.38Å; L364-F421 HydrophobicContact CD2-CZ 3.75Å; L364-F421 HydrophobicContact CG-CD1 4.39Å; L364-F421 HydrophobicContact CG-CE1 3.69Å; L364-F421 HydrophobicContact CG-CZ 4.32Å; L414-F421 HydrophobicContact CB-CD2 4.22Å; L414-F421 HydrophobicContact CB-CE2 4.42Å; L414-F421 PolarHBondContact O-N 2.88Å; I415-F421 HydrophobicContact CG2-CD2 4.2Å; I415-F421 HydrophobicContact CG2-CE2 4.46Å; G419-F421 VanDerWaalsContact C-N 3.32Å; G419-F421 PolarHBondContact O-N 3.44Å; F421-R423 PolarHBondContact O-N 3.44Å; F421-V424 PolarHBondContact O-N 3.33Å; F421-V425 HydrophobicContact CB-CB 4.49Å; F421-V425 HydrophobicContact CD1-CB 3.89Å; F421-V425 HydrophobicContact CD1-CG1 3.84Å; F421-V425 HydrophobicContact CD1-CG2 3.92Å; F421-V425 HydrophobicContact CE1-CG1 4.11Å; F421-V425 HydrophobicContact CE1-CG2 4.3Å; F421-V425 HydrophobicContact CG-CB 4.41Å; F421-V425 HydrophobicContact CG-CG2 4.18Å; F421-V425 WeakPolarHBondContact O-CB 3.29Å; F421-V425 PolarHBondContact O-N 3.36Å; F421-G428 WeakPolarHBondContact O-CA 3.33Å; F421-L432 HydrophobicContact CB-CD1 3.71Å; F421-L432 HydrophobicContact CD1-CD1 3.77Å; F421-L432 HydrophobicContact CD2-CD1 4.48Å; F421-L432 HydrophobicContact CG-CD1 3.73Å
422K96.2Very high94.7Very high73 Ų7342.8 Ų42.832%0.31723%0.228SC..Hα-helixtrans-61-30.8177-177.959.1-179.8172.30112.3N296 P417 G419 I420N296-K422 PolarHBondContact ND2-O 3.09Å; N296-K422 WeakPolarHBondContact OD1-CD 3.46Å; N296-K422 WeakPolarHBondContact OD1-CE 3.43Å; N296-K422 PolarHBondContact OD1-NZ 3.04Å; P417-K422 WeakPolarHBondContact O-CG 3.31Å; G419-K422 PolarHBondContact O-N 3.3Å; I420-K422 PolarHBondContact O-N 3.24Å
423R95Very high94.8Very high154 Ų15442.9 Ų42.958%0.58123%0.226SC*.Hα-helixtrans-82.8-31.5-175-69.3170.560.8-169.8-2.4114.1I298 G419 I420 F421I298-R423 WeakPolarHBondContact CG2-O 3.43Å; G419-R423 WeakPolarHBondContact O-CG 3.41Å; G419-R423 PolarHBondContact O-N 3.29Å; I420-R423 PolarHBondContact O-N 3.47Å; F421-R423 PolarHBondContact O-N 3.44Å
424V95.8Very high95Very high10 Ų1041.9 Ų41.96%0.06122%0.223CC..Hα-helixtrans-136.5-13.9-171.2-58.30000116.7I298 I420 F421 C566 T567 Q593 V596I298-V424 VanDerWaalsContact CD1-C 3.44Å; I420-V424 HydrophobicContact CG2-CG2 3.88Å; I420-V424 WeakPolarHBondContact O-CG2 3.26Å; I420-V424 PolarHBondContact O-N 3.2Å; F421-V424 PolarHBondContact O-N 3.33Å; V424-C566 PolarHBondContact O-SG 3.12Å; V424-T567 WeakPolarHBondContact O-CB 3.29Å; V424-T567 WeakPolarHBondContact O-CG2 3.26Å; V424-Q593 HydrophobicContact CB-CG 4.37Å; V424-Q593 HydrophobicContact CG1-CG 4.29Å; V424-V596 HydrophobicContact CB-CG1 4.44Å; V424-V596 HydrophobicContact CG1-CB 3.94Å; V424-V596 HydrophobicContact CG1-CG1 3.88Å; V424-V596 HydrophobicContact CG1-CG2 4.25Å; V424-V596 HydrophobicContact CG2-CB 4.41Å; V424-V596 HydrophobicContact CG2-CG1 3.79Å
425V97.6Very high95.2Very high5 Ų540.2 Ų40.23%0.0321%0.214CC..  trans-103142.3-171.5-176.10000111.6N296 F359 F421 T427 G428 C566N296-V425 WeakPolarHBondContact CB-O 3.45Å; N296-V425 PolarHBondContact ND2-O 2.96Å; F359-V425 HydrophobicContact CE1-CG1 4.16Å; F359-V425 HydrophobicContact CE1-CG2 4.27Å; F421-V425 HydrophobicContact CB-CB 4.49Å; F421-V425 HydrophobicContact CD1-CB 3.89Å; F421-V425 HydrophobicContact CD1-CG1 3.84Å; F421-V425 HydrophobicContact CD1-CG2 3.92Å; F421-V425 HydrophobicContact CE1-CG1 4.11Å; F421-V425 HydrophobicContact CE1-CG2 4.3Å; F421-V425 HydrophobicContact CG-CB 4.41Å; F421-V425 HydrophobicContact CG-CG2 4.18Å; F421-V425 WeakPolarHBondContact O-CB 3.29Å; F421-V425 PolarHBondContact O-N 3.36Å; V425-T427 VanDerWaalsContact C-N 3.29Å; V425-T427 PolarHBondContact O-N 3.16Å; V425-G428 PolarHBondContact O-N 3.39Å; V425-C566 HydrophobicContact CG2-CB 4.43Å
426S98.1Very high95.3Very high0 Ų039.8 Ų39.80%021%0.213CC..THydrogen-bonded Turntrans-57.6-37.1-180-82.90000113.6N296 F304 H356 G428 C566 T567 M568N296-S426 WeakPolarHBondContact CB-O 3.3Å; N296-S426 PolarHBondContact N-O 2.96Å; F304-S426 WeakPolarHBondContact O-CB 3.37Å; F304-S426 PolarHBondContact O-OG 3.11Å; H356-S426 VanDerWaalsContact NE2-CB 3.34Å; H356-S426 WeakPolarHBondContact NE2-CB 3.26Å; H356-S426 PolarHBondContact NE2-OG 3.3Å; S426-G428 VanDerWaalsContact C-N 3.31Å; S426-C566 PolarHBondContact N-O 3.42Å; S426-C566 VanDerWaalsContact N-O 3.13Å; S426-T567 VanDerWaalsContact OG-CA 3.26Å; S426-T567 WeakPolarHBondContact OG-CA 3.45Å; S426-T567 PolarHBondContact OG-OG1 3.02Å; S426-T567 VanDerWaalsContact OG-OG1 3.08Å; S426-M568 PolarHBondContact OG-N 3.18Å
427T96.9Very high95.5Very high0 Ų040.6 Ų40.60%022%0.215CC..THydrogen-bonded Turntrans-84.2-0.6177.7490000113.6M290 I293 I305 Q360 L364 V425 G431 L432 L435M290-T427 HydrophobicContact CE-CG2 3.69Å; I293-T427 HydrophobicContact CG2-CG2 4.24Å; I305-T427 HydrophobicContact CD1-CG2 3.69Å; Q360-T427 HydrophobicContact CB-CG2 3.96Å; Q360-T427 HydrophobicContact CG-CG2 3.94Å; Q360-T427 VanDerWaalsContact OE1-CG2 3.27Å; Q360-T427 PolarHBondContact OE1-OG1 2.75Å; L364-T427 WeakPolarHBondContact CD1-OG1 3.4Å; V425-T427 VanDerWaalsContact C-N 3.29Å; V425-T427 PolarHBondContact O-N 3.16Å; T427-G431 CarbonylContact O-C 3.51Å; T427-L432 WeakPolarHBondContact O-CA 3.43Å; T427-L432 WeakPolarHBondContact O-CB 3.26Å; T427-L432 PolarHBondContact O-N 3.17Å; T427-L435 HydrophobicContact CG2-CD2 4.01Å
428G94.6Very high95.6Very high2 Ų239.1 Ų39.12%0.02120%0.195CC..THydrogen-bonded Turntrans-58.9150.9-179.400000114.1N296 F421 V425 S426N296-G428 WeakPolarHBondContact CB-O 3.32Å; N296-G428 PolarHBondContact OD1-O 3.27Å; F421-G428 WeakPolarHBondContact O-CA 3.33Å; V425-G428 PolarHBondContact O-N 3.39Å; S426-G428 VanDerWaalsContact C-N 3.31Å
429G92.3Very high95.9Very high27 Ų2733.4 Ų33.428%0.27816%0.163SC..THydrogen-bonded Turntrans83.6-140-172.200000111.5G431 L432G429-G431 VanDerWaalsContact C-N 3.28Å; G429-G431 PolarHBondContact O-N 2.92Å; G429-L432 WeakPolarHBondContact O-CB 3.43Å; G429-L432 PolarHBondContact O-N 3.01Å
430D93.3Very high96Very high132 Ų13233.2 Ų33.271%0.70616%0.162SC*.Hα-helixtrans-63.6-32.9-172.6-58.6-15.8000113L432 L433 I434D430-L432 PolarHBondContact O-N 3.43Å; D430-L433 PolarHBondContact O-N 3.11Å; D430-I434 HydrophobicContact CB-CD1 4.5Å; D430-I434 WeakPolarHBondContact O-CG1 3.49Å; D430-I434 PolarHBondContact O-N 2.91Å
431G96.3Very high96.1Very high1 Ų138.8 Ų38.81%0.0119%0.185CC..Hα-helixtrans-58.2-32.1179.300000113.6P294 T427 G429 L435P294-G431 WeakPolarHBondContact O-CA 3.09Å; T427-G431 CarbonylContact O-C 3.51Å; G429-G431 VanDerWaalsContact C-N 3.28Å; G429-G431 PolarHBondContact O-N 2.92Å; G431-L435 VanDerWaalsContact O-CB 3.24Å; G431-L435 WeakPolarHBondContact O-CB 3.36Å; G431-L435 PolarHBondContact O-N 2.82Å
432L96.1Very high96.1Very high8 Ų842.3 Ų42.34%0.04221%0.208CC..Hα-helixtrans-62.7-51.4-178.8-179.9153.1000110.6L364 I415 F421 T427 G429 D430 L435 A436L364-L432 HydrophobicContact CD1-CB 4.38Å; L364-L432 HydrophobicContact CD1-CG 4.02Å; L364-L432 HydrophobicContact CD2-CD1 3.78Å; L364-L432 HydrophobicContact CD2-CD2 4.43Å; L364-L432 HydrophobicContact CD2-CG 3.69Å; I415-L432 HydrophobicContact CB-CD1 3.78Å; I415-L432 HydrophobicContact CB-CD2 4.08Å; I415-L432 HydrophobicContact CG2-CD1 3.7Å; I415-L432 HydrophobicContact CG2-CD2 4.35Å; F421-L432 HydrophobicContact CB-CD1 3.71Å; F421-L432 HydrophobicContact CD1-CD1 3.77Å; F421-L432 HydrophobicContact CD2-CD1 4.48Å; F421-L432 HydrophobicContact CG-CD1 3.73Å; T427-L432 WeakPolarHBondContact O-CA 3.43Å; T427-L432 WeakPolarHBondContact O-CB 3.26Å; T427-L432 PolarHBondContact O-N 3.17Å; G429-L432 WeakPolarHBondContact O-CB 3.43Å; G429-L432 PolarHBondContact O-N 3.01Å; D430-L432 PolarHBondContact O-N 3.43Å; L432-L435 PolarHBondContact O-N 2.93Å; L432-A436 WeakPolarHBondContact O-CB 3.29Å; L432-A436 PolarHBondContact O-N 3.26Å
433L95.7Very high96.1Very high50 Ų5038.9 Ų38.926%0.26219%0.193SC..Hα-helixtrans-69.9-41.6-177.3-179.460.5000110.6W148 A149 I152 D430 L435 A436 Q437W148-L433 HydrophobicContact CZ3-CD1 4.43Å; A149-L433 HydrophobicContact CB-CD1 3.53Å; A149-L433 HydrophobicContact CB-CD2 3.84Å; A149-L433 HydrophobicContact CB-CG 4.35Å; I152-L433 HydrophobicContact CD1-CD1 4.3Å; I152-L433 HydrophobicContact CG2-CD1 4.36Å; D430-L433 PolarHBondContact O-N 3.11Å; L433-L435 VanDerWaalsContact C-N 3.31Å; L433-L435 PolarHBondContact O-N 2.86Å; L433-A436 PolarHBondContact O-N 3.47Å; L433-Q437 HydrophobicContact CD1-CG 4.17Å; L433-Q437 HydrophobicContact CG-CG 4.32Å; L433-Q437 WeakPolarHBondContact O-CB 3.48Å; L433-Q437 WeakPolarHBondContact O-CG 3.24Å; L433-Q437 PolarHBondContact O-N 3.37Å
434I97.7Very high96.2Very high54 Ų5433.5 Ų33.528%0.27718%0.177SC..Hα-helixtrans-60.5-43.2177.7-64.7166.7000110.7I293 P294 D430 Q437 R438I293-I434 HydrophobicContact CD1-CB 4.2Å; I293-I434 HydrophobicContact CD1-CG2 3.6Å; P294-I434 HydrophobicContact CG-CD1 3.77Å; D430-I434 HydrophobicContact CB-CD1 4.5Å; D430-I434 WeakPolarHBondContact O-CG1 3.49Å; D430-I434 PolarHBondContact O-N 2.91Å; I434-Q437 PolarHBondContact O-N 3.18Å; I434-R438 WeakPolarHBondContact O-CG 3.33Å; I434-R438 PolarHBondContact O-N 3.19Å
435L97.8Very high96.3Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-65.1-46.8178.7-178.157.9000111.6I289 M290 I293 L364 L365 T427 G431 L432 L433 Q437 R438 E439I289-L435 HydrophobicContact CG1-CD1 3.98Å; I289-L435 HydrophobicContact CG2-CD1 4.25Å; M290-L435 HydrophobicContact CE-CD2 4.08Å; M290-L435 HydrophobicContact SD-CD1 3.66Å; M290-L435 HydrophobicContact SD-CD2 3.4Å; M290-L435 WeakPolarHBondContact SD-CD2 3.42Å; M290-L435 HydrophobicContact SD-CG 4.19Å; I293-L435 HydrophobicContact CD1-CB 3.98Å; I293-L435 HydrophobicContact CD1-CD1 4.29Å; I293-L435 HydrophobicContact CG1-CB 4.47Å; I293-L435 HydrophobicContact CG1-CD1 4.3Å; L364-L435 HydrophobicContact CD1-CD2 3.92Å; L365-L435 HydrophobicContact CD1-CD1 4.07Å; L365-L435 HydrophobicContact CD1-CG 4.26Å; L365-L435 HydrophobicContact CD2-CG 4.01Å; L365-L435 HydrophobicContact CG-CG 4.35Å; T427-L435 HydrophobicContact CG2-CD2 4.01Å; G431-L435 VanDerWaalsContact O-CB 3.24Å; G431-L435 WeakPolarHBondContact O-CB 3.36Å; G431-L435 PolarHBondContact O-N 2.82Å; L432-L435 PolarHBondContact O-N 2.93Å; L433-L435 VanDerWaalsContact C-N 3.31Å; L433-L435 PolarHBondContact O-N 2.86Å; L435-Q437 VanDerWaalsContact C-N 3.3Å; L435-Q437 PolarHBondContact O-N 3.32Å; L435-R438 PolarHBondContact O-N 3.01Å; L435-E439 PolarHBondContact O-N 2.99Å; L435-E439 VanDerWaalsContact O-N 3.14Å
436A97.1Very high96.3Very high8 Ų838.8 Ų38.87%0.06620%0.196CC..Hα-helixtrans-59.2-40.6175.700000112.1I152 L432 L433 R438 E439 Y440I152-A436 HydrophobicContact CG2-CB 4.09Å; L432-A436 WeakPolarHBondContact O-CB 3.29Å; L432-A436 PolarHBondContact O-N 3.26Å; L433-A436 PolarHBondContact O-N 3.47Å; A436-R438 VanDerWaalsContact C-N 3.34Å; A436-R438 PolarHBondContact O-N 3.27Å; A436-E439 PolarHBondContact O-N 2.95Å; A436-Y440 WeakPolarHBondContact O-CB 3.49Å; A436-Y440 PolarHBondContact O-N 2.88Å
437Q97Very high96.3Very high40 Ų4039.3 Ų39.319%0.18720%0.2CC..Hα-helixtrans-65.4-34.4177-73.4169-15.100113.2T150 G151 I152 L433 I434 L435 K441T150-Q437 WeakPolarHBondContact O-CG 3.37Å; T150-Q437 PolarHBondContact O-NE2 3.01Å; G151-Q437 WeakPolarHBondContact O-CA 3.36Å; G151-Q437 WeakPolarHBondContact O-CG 3.5Å; I152-Q437 HydrophobicContact CG2-CG 4.14Å; L433-Q437 HydrophobicContact CD1-CG 4.17Å; L433-Q437 HydrophobicContact CG-CG 4.32Å; L433-Q437 WeakPolarHBondContact O-CB 3.48Å; L433-Q437 WeakPolarHBondContact O-CG 3.24Å; L433-Q437 PolarHBondContact O-N 3.37Å; I434-Q437 PolarHBondContact O-N 3.18Å; L435-Q437 VanDerWaalsContact C-N 3.3Å; L435-Q437 PolarHBondContact O-N 3.32Å; Q437-K441 WeakPolarHBondContact O-CG 3.5Å; Q437-K441 PolarHBondContact O-N 3.33Å
438R97Very high96.3Very high80 Ų8039.7 Ų39.730%0.30220%0.202SC..Hα-helixtrans-67.5-45175.3-74.1177.7-178.1-170.8-2.3111.3I289 D291 I434 L435 A436 Y440 K441I289-R438 HydrophobicContact CD1-CB 4.25Å; I289-R438 HydrophobicContact CG1-CB 3.93Å; I289-R438 WeakPolarHBondContact O-CD 2.86Å; I289-R438 PolarHBondContact O-NH1 3.4Å; D291-R438 VanDerWaalsContact O-CZ 3.27Å; D291-R438 PolarHBondContact O-NH1 3.34Å; D291-R438 PolarHBondContact O-NH2 3.1Å; I434-R438 WeakPolarHBondContact O-CG 3.33Å; I434-R438 PolarHBondContact O-N 3.19Å; L435-R438 PolarHBondContact O-N 3.01Å; A436-R438 VanDerWaalsContact C-N 3.34Å; A436-R438 PolarHBondContact O-N 3.27Å; R438-Y440 VanDerWaalsContact C-N 3.34Å; R438-K441 PolarHBondContact O-N 3.28Å
439E96.1Very high96.5Very high18 Ų1840.7 Ų40.78%0.08421%0.206CC..Hα-helixtrans-64.9-42.6177.4179.862.7-161.300111I289 L365 L369 R370 L435 A436 K441 V442 L443I289-E439 HydrophobicContact CD1-CB 3.92Å; I289-E439 WeakPolarHBondContact CD1-OE2 3.44Å; L365-E439 HydrophobicContact CB-CB 4.39Å; L365-E439 HydrophobicContact CB-CG 3.98Å; L365-E439 HydrophobicContact CD1-CB 3.87Å; L365-E439 HydrophobicContact CD1-CG 4.15Å; L365-E439 HydrophobicContact CD2-CB 3.4Å; L365-E439 HydrophobicContact CD2-CG 3.9Å; L365-E439 HydrophobicContact CG-CB 4.07Å; L365-E439 HydrophobicContact CG-CG 4.21Å; L369-E439 HydrophobicContact CD2-CB 3.63Å; L369-E439 HydrophobicContact CD2-CG 3.34Å; R370-E439 IonicContact CZ-OE1 3.24Å; R370-E439 IonicContact NE-OE1 3.2Å; R370-E439 PolarHBondContact NE-OE1 3.42Å; R370-E439 IonicContact NH2-OE1 2.73Å; R370-E439 PolarHBondContact NH2-OE1 2.91Å; L435-E439 PolarHBondContact O-N 2.99Å; L435-E439 VanDerWaalsContact O-N 3.14Å; A436-E439 PolarHBondContact O-N 2.95Å; E439-K441 PolarHBondContact O-N 3.21Å; E439-V442 CarbonylContact O-C 3.59Å; E439-V442 WeakPolarHBondContact O-CG2 2.92Å; E439-V442 PolarHBondContact O-N 2.92Å; E439-L443 PolarHBondContact O-N 2.65Å
440Y97.4Very high96.8Very high0 Ų039.8 Ų39.80%020%0.195CC..Hα-helixtrans-55.5-42.5179.5-174.5-119.2000111.5G151 P153 L369 A436 R438 V442 L443 F514 T515 L517G151-Y440 WeakPolarHBondContact O-CB 3.36Å; G151-Y440 WeakPolarHBondContact O-CD1 3.48Å; P153-Y440 HydrophobicContact CB-CE2 4.37Å; P153-Y440 VanDerWaalsContact CD-CE2 3.48Å; P153-Y440 HydrophobicContact CG-CD2 3.92Å; P153-Y440 HydrophobicContact CG-CE2 3.51Å; L369-Y440 HydrophobicContact CD1-CD2 4.48Å; A436-Y440 WeakPolarHBondContact O-CB 3.49Å; A436-Y440 PolarHBondContact O-N 2.88Å; R438-Y440 VanDerWaalsContact C-N 3.34Å; Y440-V442 PolarHBondContact O-N 2.81Å; Y440-L443 HydrophobicContact CD2-CD2 4.28Å; Y440-L443 WeakPolarHBondContact O-CB 3.28Å; Y440-L443 PolarHBondContact O-N 2.71Å; Y440-L443 VanDerWaalsContact O-N 3.16Å; Y440-F514 HydrophobicContact CE2-CD1 4.12Å; Y440-F514 VanDerWaalsContact OH-CA 3.28Å; Y440-F514 WeakPolarHBondContact OH-CA 3.34Å; Y440-T515 WeakPolarHBondContact CE1-O 3.32Å; Y440-T515 PolarHBondContact OH-N 3.23Å; Y440-T515 PolarHBondContact OH-O 2.88Å; Y440-L517 HydrophobicContact CD2-CD2 4.01Å; Y440-L517 HydrophobicContact CE1-CB 3.87Å; Y440-L517 HydrophobicContact CE1-CD2 4.39Å; Y440-L517 HydrophobicContact CE2-CB 4.39Å; Y440-L517 HydrophobicContact CE2-CD2 3.58Å; Y440-L517 HydrophobicContact CE2-CG 4.5Å; Y440-L517 WeakPolarHBondContact O-CD1 3.33Å; Y440-L517 WeakPolarHBondContact O-CD2 3.12Å
441K96.1Very high97Very high137 Ų13737.4 Ų37.460%0.59618%0.18SC*.Hα-helixtrans-61.2-24.2177.5-73171.7-177.6178.40115Q437 R438 E439Q437-K441 WeakPolarHBondContact O-CG 3.5Å; Q437-K441 PolarHBondContact O-N 3.33Å; R438-K441 PolarHBondContact O-N 3.28Å; E439-K441 PolarHBondContact O-N 3.21Å
442V94.3Very high97.1Very high90 Ų9040.5 Ų40.555%0.54519%0.193SC..Hα-helixtrans-107-2.2180-58.80000112.8E439 Y440 T444E439-V442 CarbonylContact O-C 3.59Å; E439-V442 WeakPolarHBondContact O-CG2 2.92Å; E439-V442 PolarHBondContact O-N 2.92Å; Y440-V442 PolarHBondContact O-N 2.81Å; V442-T444 PolarHBondContact O-N 3.09Å
443L96.4Very high97.1Very high0 Ų040.7 Ų40.70%019%0.194CC..  trans-65132.2173.1-176.367.2000109.8R370 V374 E439 Y440 L448 L517 F520R370-L443 HydrophobicContact CG-CD1 4.05Å; V374-L443 HydrophobicContact CG2-CD2 4.06Å; E439-L443 PolarHBondContact O-N 2.65Å; Y440-L443 HydrophobicContact CD2-CD2 4.28Å; Y440-L443 WeakPolarHBondContact O-CB 3.28Å; Y440-L443 PolarHBondContact O-N 2.71Å; Y440-L443 VanDerWaalsContact O-N 3.16Å; L443-L448 HydrophobicContact CD1-CD2 4.09Å; L443-L517 HydrophobicContact CB-CD2 4.21Å; L443-F520 HydrophobicContact CD2-CE2 4.12Å; L443-F520 HydrophobicContact CG-CD2 4.35Å; L443-F520 HydrophobicContact CG-CE2 4.04Å
444T97.5Very high97.2Very high42 Ų4238.3 Ų38.326%0.25818%0.181SC..  trans-129.3148.7173.864.90000110.4V442 R446 S447 L448 F520V442-T444 PolarHBondContact O-N 3.09Å; T444-R446 PolarHBondContact O-N 3.42Å; T444-S447 PolarHBondContact N-OG 3.31Å; T444-S447 WeakPolarHBondContact O-CB 3.27Å; T444-S447 PolarHBondContact O-N 3.35Å; T444-S447 PolarHBondContact O-OG 2.8Å; T444-S447 WeakPolarHBondContact OG1-CB 3.46Å; T444-S447 PolarHBondContact OG1-N 3.38Å; T444-S447 PolarHBondContact OG1-OG 2.89Å; T444-L448 PolarHBondContact O-N 3.08Å; T444-F520 CarbonylContact C-O 3.25Å; T444-F520 WeakPolarHBondContact CA-O 3.35Å
445Y98.2Very high97.2Very high30 Ų3038.7 Ų38.712%0.11819%0.186CC..THydrogen-bonded Turntrans-54.3-39.1171.3175.6-122.8000111.3S447 L448 Q449 F520 L522 T534 L535 V538Y445-S447 VanDerWaalsContact C-N 3.32Å; Y445-S447 PolarHBondContact O-N 3.47Å; Y445-L448 WeakPolarHBondContact O-CB 3.23Å; Y445-L448 PolarHBondContact O-N 2.85Å; Y445-L448 VanDerWaalsContact O-N 3.17Å; Y445-Q449 VanDerWaalsContact CE1-NE2 3.33Å; Y445-F520 WeakPolarHBondContact CB-O 3.34Å; Y445-F520 VanDerWaalsContact N-CE2 3.35Å; Y445-F520 PolarHBondContact N-O 3.05Å; Y445-L522 HydrophobicContact CD1-CD1 3.99Å; Y445-L522 HydrophobicContact CD2-CD1 3.95Å; Y445-L522 HydrophobicContact CE1-CD1 3.95Å; Y445-L522 HydrophobicContact CE2-CD1 3.92Å; Y445-L522 HydrophobicContact CG-CB 4.12Å; Y445-L522 HydrophobicContact CG-CD1 3.98Å; Y445-T534 WeakPolarHBondContact OH-CG2 3.47Å; Y445-L535 HydrophobicContact CD2-CD1 4.5Å; Y445-L535 HydrophobicContact CE2-CD1 3.63Å; Y445-L535 WeakPolarHBondContact OH-CA 3.41Å; Y445-L535 PolarHBondContact OH-N 3.47Å; Y445-V538 HydrophobicContact CD2-CG2 4.49Å; Y445-V538 HydrophobicContact CE2-CB 4.24Å; Y445-V538 HydrophobicContact CE2-CG1 4.36Å; Y445-V538 HydrophobicContact CE2-CG2 3.7Å
446R97.3Very high97.2Very high95 Ų9543.2 Ų43.236%0.35821%0.21SC..G310 helixtrans-58.2-41.2173.3-178.2178.8172.681.41.9112.5T444 L448 Q449 F452 D456T444-R446 PolarHBondContact O-N 3.42Å; R446-L448 PolarHBondContact O-N 3.18Å; R446-Q449 WeakPolarHBondContact O-CB 3.38Å; R446-Q449 PolarHBondContact O-N 3.46Å; R446-Q449 VanDerWaalsContact O-N 3.08Å; R446-F452 HydrophobicContact CG-CB 3.58Å; R446-F452 HydrophobicContact CG-CD2 3.92Å; R446-F452 HydrophobicContact CG-CG 3.9Å; R446-F452 VanDerWaalsContact CZ-CG 3.42Å; R446-D456 IonicContact CZ-OD1 3.36Å; R446-D456 IonicContact CZ-OD2 3.33Å; R446-D456 IonicContact NE-OD1 2.66Å; R446-D456 PolarHBondContact NE-OD1 2.95Å; R446-D456 IonicContact NE-OD2 2.68Å; R446-D456 PolarHBondContact NE-OD2 3.3Å; R446-D456 IonicContact NH2-OD1 3.21Å; R446-D456 PolarHBondContact NH2-OD1 2.74Å; R446-D456 IonicContact NH2-OD2 2.7Å
447S96.7Very high97.2Very high12 Ų1244.2 Ų44.28%0.08421%0.212CC..G310 helixtrans-71.2-10.9179.372.90000114.8R244 T444 Y445 Q449R244-S447 PolarHBondContact NH1-O 2.86Å; T444-S447 PolarHBondContact N-OG 3.31Å; T444-S447 WeakPolarHBondContact O-CB 3.27Å; T444-S447 PolarHBondContact O-N 3.35Å; T444-S447 PolarHBondContact O-OG 2.8Å; T444-S447 WeakPolarHBondContact OG1-CB 3.46Å; T444-S447 PolarHBondContact OG1-N 3.38Å; T444-S447 PolarHBondContact OG1-OG 2.89Å; Y445-S447 VanDerWaalsContact C-N 3.32Å; Y445-S447 PolarHBondContact O-N 3.47Å; S447-Q449 VanDerWaalsContact C-N 3.3Å
448L98Very high97.3Very high8 Ų844 Ų444%0.04222%0.221CC..G310 helixtrans-84.2-7.1171.4-59.8176.6000112.4V374 L443 T444 Y445 R446 F520 V538V374-L448 HydrophobicContact CG1-CD1 3.98Å; V374-L448 HydrophobicContact CG1-CD2 4.42Å; V374-L448 HydrophobicContact CG2-CD2 4.41Å; L443-L448 HydrophobicContact CD1-CD2 4.09Å; T444-L448 PolarHBondContact O-N 3.08Å; Y445-L448 WeakPolarHBondContact O-CB 3.23Å; Y445-L448 PolarHBondContact O-N 2.85Å; Y445-L448 VanDerWaalsContact O-N 3.17Å; R446-L448 PolarHBondContact O-N 3.18Å; L448-F520 HydrophobicContact CD1-CE2 4.18Å; L448-F520 HydrophobicContact CD1-CZ 4Å; L448-V538 HydrophobicContact CB-CG1 3.79Å; L448-V538 HydrophobicContact CB-CG2 4.49Å; L448-V538 HydrophobicContact CD1-CG1 3.95Å
449Q98.4Very high97.3Very high23 Ų2340.2 Ų40.211%0.10721%0.207CC..SBendtrans-101.7115.2178.5-59.8178.340.500109.3Y445 R446 S447 H451 F452 D453 W475 V538Y445-Q449 VanDerWaalsContact CE1-NE2 3.33Å; R446-Q449 WeakPolarHBondContact O-CB 3.38Å; R446-Q449 PolarHBondContact O-N 3.46Å; R446-Q449 VanDerWaalsContact O-N 3.08Å; S447-Q449 VanDerWaalsContact C-N 3.3Å; Q449-H451 VanDerWaalsContact C-N 3.35Å; Q449-H451 PolarHBondContact O-N 3.25Å; Q449-F452 HydrophobicContact CB-CD2 3.85Å; Q449-F452 HydrophobicContact CG-CD2 4.47Å; Q449-F452 PolarHBondContact O-N 2.96Å; Q449-F452 VanDerWaalsContact O-N 3.09Å; Q449-D453 PolarHBondContact O-N 3.46Å; Q449-W475 HydrophobicContact CB-CH2 4.17Å; Q449-W475 HydrophobicContact CB-CZ2 4.3Å; Q449-W475 HydrophobicContact CG-CH2 3.87Å; Q449-W475 HydrophobicContact CG-CZ2 4.17Å; Q449-V538 HydrophobicContact CG-CG2 3.78Å
450P97.8Very high97.2Very high8 Ų843.3 Ų43.35%0.05222%0.22CC..Hα-helixtrans-54.5-44.4-171.1-2935.8000114.1F452 D453 F454 L472 W475 F541P450-F452 VanDerWaalsContact C-N 3.28Å; P450-F452 PolarHBondContact O-N 2.99Å; P450-D453 PolarHBondContact O-N 3.42Å; P450-F454 HydrophobicContact CB-CD2 4.32Å; P450-F454 HydrophobicContact CB-CE2 3.93Å; P450-F454 WeakPolarHBondContact O-CD2 3.42Å; P450-F454 PolarHBondContact O-N 2.85Å; P450-L472 HydrophobicContact CB-CD2 4.23Å; P450-W475 VanDerWaalsContact CD-CZ3 3.44Å; P450-W475 HydrophobicContact CG-CB 4.35Å; P450-W475 HydrophobicContact CG-CD2 4.09Å; P450-W475 HydrophobicContact CG-CE3 3.67Å; P450-W475 HydrophobicContact CG-CG 4.38Å; P450-W475 HydrophobicContact CG-CZ3 4.32Å; P450-F541 HydrophobicContact CG-CD1 3.96Å; P450-F541 HydrophobicContact CG-CE1 3.41Å; P450-F541 VanDerWaalsContact CG-CE1 3.41Å; P450-F541 HydrophobicContact CG-CE2 4.13Å; P450-F541 HydrophobicContact CG-CZ 3.52Å
451H97.8Very high97Very high82 Ų8251.8 Ų51.838%0.3826%0.26SS..Hα-helixtrans-55.6-45179.6-176.690.9000112Q449 T455 F460 L472Q449-H451 VanDerWaalsContact C-N 3.35Å; Q449-H451 PolarHBondContact O-N 3.25Å; H451-T455 VanDerWaalsContact O-CB 3.31Å; H451-T455 WeakPolarHBondContact O-CB 3.38Å; H451-T455 PolarHBondContact O-N 3.43Å; H451-T455 VanDerWaalsContact O-N 3.11Å; H451-T455 PolarHBondContact O-OG1 3Å; H451-F460 AromaticContact CE1-CE2 3.86Å; H451-F460 AromaticContact ND1-CE2 3.69Å; H451-L472 HydrophobicContact CB-CD2 4.22Å
452F98.1Very high96.9Very high65 Ų6545.5 Ų45.529%0.28523%0.233SC..Hα-helixtrans-74.5-38.7179.5-63.8-44.2000112.4R446 Q449 P450 F454 T455 D456R446-F452 HydrophobicContact CG-CB 3.58Å; R446-F452 HydrophobicContact CG-CD2 3.92Å; R446-F452 HydrophobicContact CG-CG 3.9Å; R446-F452 VanDerWaalsContact CZ-CG 3.42Å; Q449-F452 HydrophobicContact CB-CD2 3.85Å; Q449-F452 HydrophobicContact CG-CD2 4.47Å; Q449-F452 PolarHBondContact O-N 2.96Å; Q449-F452 VanDerWaalsContact O-N 3.09Å; P450-F452 VanDerWaalsContact C-N 3.28Å; P450-F452 PolarHBondContact O-N 2.99Å; F452-F454 PolarHBondContact O-N 2.87Å; F452-T455 PolarHBondContact O-N 2.71Å; F452-D456 VanDerWaalsContact O-CB 3.28Å; F452-D456 WeakPolarHBondContact O-CB 3.44Å; F452-D456 PolarHBondContact O-N 3.41Å
453D97.3Very high96.9Very high13 Ų1344 Ų447%0.0723%0.225CC..Hα-helixtrans-57.3-48.2174177.594.3000112R244 Q449 P450 T455 R457R244-D453 IonicContact CZ-OD1 2.73Å; R244-D453 IonicContact NH1-OD1 3.46Å; R244-D453 PolarHBondContact NH1-OD1 3.27Å; R244-D453 IonicContact NH1-OD2 3.54Å; Q449-D453 PolarHBondContact O-N 3.46Å; P450-D453 PolarHBondContact O-N 3.42Å; D453-T455 VanDerWaalsContact C-N 3.34Å; D453-T455 PolarHBondContact O-N 2.91Å; D453-R457 WeakPolarHBondContact O-CB 3.43Å; D453-R457 WeakPolarHBondContact O-CG 3.25Å; D453-R457 PolarHBondContact O-N 3.13Å; D453-R457 VanDerWaalsContact O-N 3.09Å; D453-R457 PolarHBondContact O-NE 2.8Å; D453-R457 IonicContact OD1-NE 2.7Å; D453-R457 IonicContact OD2-CZ 2.68Å; D453-R457 IonicContact OD2-NE 2.78Å; D453-R457 PolarHBondContact OD2-NE 3.49Å; D453-R457 IonicContact OD2-NH2 2.71Å; D453-R457 PolarHBondContact OD2-NH2 2.7Å
454F98.3Very high96.7Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-67.4-34.5178-65.7-61.7000113P450 F452 G458 V459 F460 Y465 Y467 R468 L472P450-F454 HydrophobicContact CB-CD2 4.32Å; P450-F454 HydrophobicContact CB-CE2 3.93Å; P450-F454 WeakPolarHBondContact O-CD2 3.42Å; P450-F454 PolarHBondContact O-N 2.85Å; F452-F454 PolarHBondContact O-N 2.87Å; F454-G458 PolarHBondContact O-N 2.84Å; F454-G458 VanDerWaalsContact O-N 3.16Å; F454-V459 HydrophobicContact CB-CG2 4.36Å; F454-V459 HydrophobicContact CD1-CG2 3.95Å; F454-V459 PolarHBondContact O-N 3.08Å; F454-F460 HydrophobicContact CB-CD2 4.1Å; F454-Y465 HydrophobicContact CD1-CE1 4.08Å; F454-Y465 AromaticContact CE1-CE1 4Å; F454-Y465 HydrophobicContact CE1-CE1 4Å; F454-Y465 AromaticContact CE1-CZ 3.86Å; F454-Y467 AromaticContact CE1-CD1 3.94Å; F454-Y467 HydrophobicContact CE1-CD1 3.94Å; F454-Y467 AromaticContact CE1-CE1 3.87Å; F454-Y467 HydrophobicContact CE1-CE1 3.87Å; F454-Y467 AromaticContact CZ-CD1 3.83Å; F454-Y467 HydrophobicContact CZ-CD1 3.83Å; F454-Y467 AromaticContact CZ-CE1 3.62Å; F454-Y467 HydrophobicContact CZ-CE1 3.62Å; F454-R468 HydrophobicContact CD1-CB 4.03Å; F454-R468 HydrophobicContact CD1-CG 3.85Å; F454-R468 HydrophobicContact CD2-CB 4.41Å; F454-R468 HydrophobicContact CD2-CG 3.7Å; F454-R468 HydrophobicContact CE1-CB 3.62Å; F454-R468 HydrophobicContact CE1-CG 3.91Å; F454-R468 HydrophobicContact CE2-CB 4.06Å; F454-R468 HydrophobicContact CE2-CG 3.77Å; F454-R468 HydrophobicContact CG-CB 4.44Å; F454-R468 HydrophobicContact CG-CG 3.79Å; F454-R468 HydrophobicContact CZ-CB 3.69Å; F454-R468 HydrophobicContact CZ-CG 3.92Å; F454-L472 HydrophobicContact CD2-CD2 4.27Å; F454-L472 HydrophobicContact CD2-CG 4.37Å; F454-L472 HydrophobicContact CE2-CG 4.38Å
455T97.6Very high96.7Very high61 Ų6146.9 Ų46.937%0.37424%0.239SC..Hα-helixtrans-68.4-49.4177.6-62.90000111.1H451 F452 D453 R457 G458H451-T455 VanDerWaalsContact O-CB 3.31Å; H451-T455 WeakPolarHBondContact O-CB 3.38Å; H451-T455 PolarHBondContact O-N 3.43Å; H451-T455 VanDerWaalsContact O-N 3.11Å; H451-T455 PolarHBondContact O-OG1 3Å; F452-T455 PolarHBondContact O-N 2.71Å; D453-T455 VanDerWaalsContact C-N 3.34Å; D453-T455 PolarHBondContact O-N 2.91Å; T455-R457 VanDerWaalsContact C-N 3.26Å; T455-R457 PolarHBondContact O-N 3.31Å; T455-G458 WeakPolarHBondContact O-CA 3.17Å; T455-G458 PolarHBondContact O-N 3.39Å
456D97.1Very high96.7Very high95 Ų9546.3 Ų46.351%0.50824%0.237SC..Hα-helixtrans-66.9-30.9-176.9-64.5-7.7000110.8R446 F452 G458R446-D456 IonicContact CZ-OD1 3.36Å; R446-D456 IonicContact CZ-OD2 3.33Å; R446-D456 IonicContact NE-OD1 2.66Å; R446-D456 PolarHBondContact NE-OD1 2.95Å; R446-D456 IonicContact NE-OD2 2.68Å; R446-D456 PolarHBondContact NE-OD2 3.3Å; R446-D456 IonicContact NH2-OD1 3.21Å; R446-D456 PolarHBondContact NH2-OD1 2.74Å; R446-D456 IonicContact NH2-OD2 2.7Å; F452-D456 VanDerWaalsContact O-CB 3.28Å; F452-D456 WeakPolarHBondContact O-CB 3.44Å; F452-D456 PolarHBondContact O-N 3.41Å; D456-G458 VanDerWaalsContact C-N 3.33Å
457R97.5Very high96.8Very high29 Ų2942 Ų4211%0.10922%0.221CC..THydrogen-bonded Turntrans-77.8-13170-69.2-172.1-63.9125.2-9.9114R244 I246 K247 K248 D453 T455 V459 Y465R244-R457 WeakPolarHBondContact O-CD 3.4Å; R244-R457 VanDerWaalsContact O-CZ 3.31Å; R244-R457 PolarHBondContact O-NE 3.33Å; R244-R457 PolarHBondContact O-NH1 2.95Å; R244-R457 VanDerWaalsContact O-NH1 3.11Å; I246-R457 WeakPolarHBondContact O-CD 3.14Å; I246-R457 PolarHBondContact O-NH1 3.16Å; K247-R457 CarbonylContact C-O 3.57Å; K247-R457 WeakPolarHBondContact CA-O 3.41Å; K247-R457 HydrophobicContact CB-CB 4.44Å; K248-R457 PolarHBondContact N-O 2.73Å; D453-R457 WeakPolarHBondContact O-CB 3.43Å; D453-R457 WeakPolarHBondContact O-CG 3.25Å; D453-R457 PolarHBondContact O-N 3.13Å; D453-R457 VanDerWaalsContact O-N 3.09Å; D453-R457 PolarHBondContact O-NE 2.8Å; D453-R457 IonicContact OD1-NE 2.7Å; D453-R457 IonicContact OD2-CZ 2.68Å; D453-R457 IonicContact OD2-NE 2.78Å; D453-R457 PolarHBondContact OD2-NE 3.49Å; D453-R457 IonicContact OD2-NH2 2.71Å; D453-R457 PolarHBondContact OD2-NH2 2.7Å; T455-R457 VanDerWaalsContact C-N 3.26Å; T455-R457 PolarHBondContact O-N 3.31Å; R457-V459 HydrophobicContact CB-CG1 4.37Å; R457-V459 HydrophobicContact CB-CG2 3.89Å; R457-Y465 PolarHBondContact NH1-OH 2.8Å; R457-Y465 PolarHBondContact NH2-OH 2.82Å
458G97.7Very high96.9Very high36 Ų3642.3 Ų42.337%0.37122%0.22SC..THydrogen-bonded Turntrans71.723.8179.700000114.8K248 F454 T455 D456K248-G458 WeakPolarHBondContact CB-O 3.46Å; F454-G458 PolarHBondContact O-N 2.84Å; F454-G458 VanDerWaalsContact O-N 3.16Å; T455-G458 WeakPolarHBondContact O-CA 3.17Å; T455-G458 PolarHBondContact O-N 3.39Å; D456-G458 VanDerWaalsContact C-N 3.33Å
459V97.4Very high96.9Very high0 Ų044.7 Ų44.70%023%0.231CC..  trans-110.414.3-170.6-64.30000113.7I246 F283 F454 R457 Q461 V462 Y465 R468I246-V459 HydrophobicContact CG2-CG1 4.37Å; F283-V459 HydrophobicContact CD1-CG1 4.15Å; F283-V459 HydrophobicContact CE1-CG1 4.17Å; F454-V459 HydrophobicContact CB-CG2 4.36Å; F454-V459 HydrophobicContact CD1-CG2 3.95Å; F454-V459 PolarHBondContact O-N 3.08Å; R457-V459 HydrophobicContact CB-CG1 4.37Å; R457-V459 HydrophobicContact CB-CG2 3.89Å; V459-Q461 PolarHBondContact O-N 3.35Å; V459-Q461 VanDerWaalsContact O-N 3.13Å; V459-V462 HydrophobicContact CB-CG2 3.84Å; V459-V462 HydrophobicContact CG1-CG2 4.18Å; V459-V462 PolarHBondContact O-N 3.13Å; V459-Y465 HydrophobicContact CB-CE1 4.07Å; V459-Y465 HydrophobicContact CG2-CE1 3.79Å; V459-R468 PolarHBondContact O-NH1 3.19Å
460F94.8Very high96.9Very high83 Ų8343.6 Ų43.636%0.36423%0.226SC..THydrogen-bonded Turntrans-61.1-23.8-177.8-153.6-83.3000113.8H451 F454 R468 L472H451-F460 AromaticContact CE1-CE2 3.86Å; H451-F460 AromaticContact ND1-CE2 3.69Å; F454-F460 HydrophobicContact CB-CD2 4.1Å; F460-R468 VanDerWaalsContact C-NH1 3.26Å; F460-R468 VanDerWaalsContact O-CZ 3.22Å; F460-R468 PolarHBondContact O-NH1 3.27Å; F460-L472 HydrophobicContact CE2-CD1 3.9Å; F460-L472 HydrophobicContact CZ-CD1 3.85Å
461Q92.3Very high96.9Very high178 Ų17843.2 Ų43.283%0.83222%0.223SC*.THydrogen-bonded Turntrans-108.24.7-175.9-64.3-179.1-7.200114.2V459V459-Q461 PolarHBondContact O-N 3.35Å; V459-Q461 VanDerWaalsContact O-N 3.13Å
462V94.6Very high97Very high5 Ų540.6 Ų40.63%0.0321%0.212CC..  trans-65126.6179.4-177.60000109.7L238 F283 V459 Y465 R468L238-V462 HydrophobicContact CD1-CG1 3.86Å; L238-V462 HydrophobicContact CD2-CG1 3.88Å; F283-V462 HydrophobicContact CD1-CG2 4.34Å; F283-V462 HydrophobicContact CE1-CG2 3.39Å; F283-V462 HydrophobicContact CZ-CG2 3.58Å; V459-V462 HydrophobicContact CB-CG2 3.84Å; V459-V462 HydrophobicContact CG1-CG2 4.18Å; V459-V462 PolarHBondContact O-N 3.13Å; V462-Y465 HydrophobicContact CB-CD1 4.2Å; V462-R468 PolarHBondContact O-NH1 2.95Å; V462-R468 PolarHBondContact O-NH2 3.24Å; V462-R468 VanDerWaalsContact O-NH2 3.11Å
463P93.6Very high97Very high59 Ų5939.2 Ų39.238%0.38321%0.207SC..THydrogen-bonded Turntrans-70.2155.3179.129.6-35000111.5Q314 Y465Q314-P463 HydrophobicContact CG-CG 4.42Å; P463-Y465 PolarHBondContact O-N 2.66Å
464N93.8Very high97.1Very high102 Ų10238.6 Ų38.655%0.54520%0.204SC..THydrogen-bonded Turntrans55.934176-52.9-38.3000114N239 F466N239-N464 PolarHBondContact ND2-O 2.78Å; N464-F466 PolarHBondContact O-N 3.47Å
465Y97.6Very high97.1Very high0 Ų039.3 Ų39.30%021%0.206CC..  trans-98.472.4177.2-164.2178.4000109.5L238 P243 I246 F454 R457 V459 V462 P463 Y467 R468 E469L238-Y465 HydrophobicContact CB-CD2 3.78Å; L238-Y465 HydrophobicContact CB-CE2 4.17Å; L238-Y465 HydrophobicContact CB-CG 4.31Å; L238-Y465 HydrophobicContact CD2-CD1 4.01Å; L238-Y465 HydrophobicContact CD2-CD2 4.02Å; L238-Y465 HydrophobicContact CD2-CE1 4.15Å; L238-Y465 HydrophobicContact CD2-CE2 4.15Å; L238-Y465 HydrophobicContact CD2-CG 3.93Å; L238-Y465 HydrophobicContact CG-CD2 4.47Å; L238-Y465 WeakPolarHBondContact O-CD2 3Å; L238-Y465 WeakPolarHBondContact O-CE2 3.34Å; P243-Y465 HydrophobicContact CB-CE2 4.2Å; P243-Y465 PolarHBondContact O-OH 3.15Å; I246-Y465 HydrophobicContact CG2-CE1 4.43Å; F454-Y465 HydrophobicContact CD1-CE1 4.08Å; F454-Y465 AromaticContact CE1-CE1 4Å; F454-Y465 HydrophobicContact CE1-CE1 4Å; F454-Y465 AromaticContact CE1-CZ 3.86Å; R457-Y465 PolarHBondContact NH1-OH 2.8Å; R457-Y465 PolarHBondContact NH2-OH 2.82Å; V459-Y465 HydrophobicContact CB-CE1 4.07Å; V459-Y465 HydrophobicContact CG2-CE1 3.79Å; V462-Y465 HydrophobicContact CB-CD1 4.2Å; P463-Y465 PolarHBondContact O-N 2.66Å; Y465-Y467 VanDerWaalsContact C-N 3.28Å; Y465-Y467 AromaticContact CE2-CD1 3.79Å; Y465-Y467 HydrophobicContact CE2-CD1 3.79Å; Y465-Y467 HydrophobicContact CE2-CG 4.39Å; Y465-Y467 PolarHBondContact O-N 2.68Å; Y465-R468 HydrophobicContact CD1-CB 3.83Å; Y465-R468 HydrophobicContact CD2-CB 4.16Å; Y465-R468 HydrophobicContact CE1-CB 4.24Å; Y465-R468 HydrophobicContact CG-CB 3.79Å; Y465-R468 WeakPolarHBondContact O-CB 3.41Å; Y465-R468 PolarHBondContact O-N 3.17Å; Y465-E469 PolarHBondContact O-N 3.08Å
466F98Very high97.2Very high19 Ų1941.7 Ų41.78%0.08321%0.213CC..Hα-helixtrans-60.9-35.4-172.8-58.3-60.4000112.6Y235 N239 N464 R468 E469 N470 L652 Y656Y235-F466 HydrophobicContact CE2-CE2 4.41Å; N239-F466 WeakPolarHBondContact OD1-CB 3.31Å; N239-F466 PolarHBondContact OD1-N 2.65Å; N464-F466 PolarHBondContact O-N 3.47Å; F466-R468 VanDerWaalsContact C-N 3.3Å; F466-R468 PolarHBondContact O-N 3.49Å; F466-E469 PolarHBondContact O-N 3.26Å; F466-N470 WeakPolarHBondContact O-CB 3.45Å; F466-N470 VanDerWaalsContact O-CG 3.24Å; F466-N470 PolarHBondContact O-N 2.92Å; F466-L652 HydrophobicContact CE1-CD1 4.46Å; F466-L652 HydrophobicContact CE2-CD1 4.05Å; F466-L652 HydrophobicContact CZ-CD1 3.67Å; F466-Y656 HydrophobicContact CB-CD1 3.57Å; F466-Y656 HydrophobicContact CB-CE1 4.33Å; F466-Y656 HydrophobicContact CB-CG 3.74Å
467Y98.4Very high97.2Very high4 Ų437.5 Ų37.52%0.01619%0.192CC..Hα-helixtrans-55.8-44.2172.9169.1-114.3000112P243 F454 Y465 S471 Q546 A549 Y656 L659P243-Y467 HydrophobicContact CB-CD1 3.71Å; P243-Y467 HydrophobicContact CB-CE1 4.39Å; P243-Y467 HydrophobicContact CB-CG 3.84Å; P243-Y467 HydrophobicContact CG-CD1 3.47Å; P243-Y467 VanDerWaalsContact CG-CD1 3.47Å; P243-Y467 HydrophobicContact CG-CD2 3.73Å; P243-Y467 HydrophobicContact CG-CE1 3.89Å; P243-Y467 HydrophobicContact CG-CE2 4.16Å; P243-Y467 HydrophobicContact CG-CG 3.36Å; P243-Y467 WeakPolarHBondContact O-CD1 3.09Å; P243-Y467 WeakPolarHBondContact O-CE1 3.24Å; F454-Y467 AromaticContact CE1-CD1 3.94Å; F454-Y467 HydrophobicContact CE1-CD1 3.94Å; F454-Y467 AromaticContact CE1-CE1 3.87Å; F454-Y467 HydrophobicContact CE1-CE1 3.87Å; F454-Y467 AromaticContact CZ-CD1 3.83Å; F454-Y467 HydrophobicContact CZ-CD1 3.83Å; F454-Y467 AromaticContact CZ-CE1 3.62Å; F454-Y467 HydrophobicContact CZ-CE1 3.62Å; Y465-Y467 VanDerWaalsContact C-N 3.28Å; Y465-Y467 AromaticContact CE2-CD1 3.79Å; Y465-Y467 HydrophobicContact CE2-CD1 3.79Å; Y465-Y467 HydrophobicContact CE2-CG 4.39Å; Y465-Y467 PolarHBondContact O-N 2.68Å; Y467-S471 WeakPolarHBondContact CD2-OG 3.44Å; Y467-S471 WeakPolarHBondContact CE2-OG 3.09Å; Y467-S471 WeakPolarHBondContact O-CB 3.31Å; Y467-S471 PolarHBondContact O-N 3.34Å; Y467-S471 PolarHBondContact O-OG 2.74Å; Y467-Q546 PolarHBondContact OH-NE2 3.06Å; Y467-Q546 PolarHBondContact OH-OE1 2.97Å; Y467-A549 HydrophobicContact CD2-CB 3.88Å; Y467-A549 HydrophobicContact CE2-CB 3.53Å; Y467-Y656 WeakPolarHBondContact CD2-OH 3.46Å; Y467-L659 HydrophobicContact CD2-CD1 4.01Å
468R98.3Very high97.3Very high19 Ų1936.1 Ų36.17%0.07219%0.186CC..Hα-helixtrans-62.6-53.8177.5177.2-161.766.8-142.2-3.5111.2F454 V459 F460 V462 Y465 F466 N470 S471 L472F454-R468 HydrophobicContact CD1-CB 4.03Å; F454-R468 HydrophobicContact CD1-CG 3.85Å; F454-R468 HydrophobicContact CD2-CB 4.41Å; F454-R468 HydrophobicContact CD2-CG 3.7Å; F454-R468 HydrophobicContact CE1-CB 3.62Å; F454-R468 HydrophobicContact CE1-CG 3.91Å; F454-R468 HydrophobicContact CE2-CB 4.06Å; F454-R468 HydrophobicContact CE2-CG 3.77Å; F454-R468 HydrophobicContact CG-CB 4.44Å; F454-R468 HydrophobicContact CG-CG 3.79Å; F454-R468 HydrophobicContact CZ-CB 3.69Å; F454-R468 HydrophobicContact CZ-CG 3.92Å; V459-R468 PolarHBondContact O-NH1 3.19Å; F460-R468 VanDerWaalsContact C-NH1 3.26Å; F460-R468 VanDerWaalsContact O-CZ 3.22Å; F460-R468 PolarHBondContact O-NH1 3.27Å; V462-R468 PolarHBondContact O-NH1 2.95Å; V462-R468 PolarHBondContact O-NH2 3.24Å; V462-R468 VanDerWaalsContact O-NH2 3.11Å; Y465-R468 HydrophobicContact CD1-CB 3.83Å; Y465-R468 HydrophobicContact CD2-CB 4.16Å; Y465-R468 HydrophobicContact CE1-CB 4.24Å; Y465-R468 HydrophobicContact CG-CB 3.79Å; Y465-R468 WeakPolarHBondContact O-CB 3.41Å; Y465-R468 PolarHBondContact O-N 3.17Å; F466-R468 VanDerWaalsContact C-N 3.3Å; F466-R468 PolarHBondContact O-N 3.49Å; R468-N470 PolarHBondContact O-N 3.35Å; R468-S471 PolarHBondContact O-N 2.94Å; R468-L472 HydrophobicContact CG-CD1 3.85Å; R468-L472 HydrophobicContact CG-CG 4.44Å; R468-L472 VanDerWaalsContact O-CG 3.31Å; R468-L472 WeakPolarHBondContact O-CG 3.3Å; R468-L472 PolarHBondContact O-N 3.44Å
469E98.1Very high97.4Very high57 Ų5735.9 Ų35.927%0.26618%0.176SC..Hα-helixtrans-60-49-174.3-70.6170.1-162.500111Y465 F466 L472 M473Y465-E469 PolarHBondContact O-N 3.08Å; F466-E469 PolarHBondContact O-N 3.26Å; E469-L472 PolarHBondContact O-N 3.46Å; E469-M473 WeakPolarHBondContact O-CG 3.49Å; E469-M473 PolarHBondContact O-N 3.12Å
470N98.6Very high97.4Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-68.1-39.4-179.5-62.5-3.1000111.8F466 R468 L472 M473 L474 I645 L659F466-N470 WeakPolarHBondContact O-CB 3.45Å; F466-N470 VanDerWaalsContact O-CG 3.24Å; F466-N470 PolarHBondContact O-N 2.92Å; R468-N470 PolarHBondContact O-N 3.35Å; N470-L472 PolarHBondContact O-N 2.81Å; N470-M473 HydrophobicContact CB-CE 4.4Å; N470-M473 PolarHBondContact O-N 3.46Å; N470-M473 VanDerWaalsContact OD1-CE 3.25Å; N470-M473 WeakPolarHBondContact OD1-CE 3.36Å; N470-L474 WeakPolarHBondContact O-CB 3.41Å; N470-L474 VanDerWaalsContact O-CG 3.28Å; N470-L474 WeakPolarHBondContact O-CG 3.21Å; N470-L474 PolarHBondContact O-N 3.07Å; N470-I645 HydrophobicContact CB-CD1 4.08Å; N470-L659 HydrophobicContact CB-CB 3.86Å; N470-L659 HydrophobicContact CB-CD1 3.73Å; N470-L659 HydrophobicContact CB-CG 4.46Å
471S98.5Very high97.6Very high0 Ų035.4 Ų35.40%018%0.182CC..Hα-helixtrans-61.9-42.4176.1-66.40000112.1Y467 R468 W475 F541Y467-S471 WeakPolarHBondContact CD2-OG 3.44Å; Y467-S471 WeakPolarHBondContact CE2-OG 3.09Å; Y467-S471 WeakPolarHBondContact O-CB 3.31Å; Y467-S471 PolarHBondContact O-N 3.34Å; Y467-S471 PolarHBondContact O-OG 2.74Å; R468-S471 PolarHBondContact O-N 2.94Å; S471-W475 VanDerWaalsContact O-CB 3.24Å; S471-W475 WeakPolarHBondContact O-CB 2.97Å; S471-W475 PolarHBondContact O-N 2.88Å; S471-F541 WeakPolarHBondContact O-CE2 3.25Å
472L98.7Very high98Very high27 Ų2726.9 Ų26.914%0.14114%0.142CC..Hα-helixtrans-67.3-43.2178.4-68.8173.6000111.2P450 H451 F454 F460 R468 E469 N470 L474 W475 E476P450-L472 HydrophobicContact CB-CD2 4.23Å; H451-L472 HydrophobicContact CB-CD2 4.22Å; F454-L472 HydrophobicContact CD2-CD2 4.27Å; F454-L472 HydrophobicContact CD2-CG 4.37Å; F454-L472 HydrophobicContact CE2-CG 4.38Å; F460-L472 HydrophobicContact CE2-CD1 3.9Å; F460-L472 HydrophobicContact CZ-CD1 3.85Å; R468-L472 HydrophobicContact CG-CD1 3.85Å; R468-L472 HydrophobicContact CG-CG 4.44Å; R468-L472 VanDerWaalsContact O-CG 3.31Å; R468-L472 WeakPolarHBondContact O-CG 3.3Å; R468-L472 PolarHBondContact O-N 3.44Å; E469-L472 PolarHBondContact O-N 3.46Å; N470-L472 PolarHBondContact O-N 2.81Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.34Å; L472-W475 PolarHBondContact O-N 3.13Å; L472-E476 WeakPolarHBondContact O-CG 3.47Å; L472-E476 PolarHBondContact O-N 3.38Å
473M98.8Very high98.2Very high37 Ų3727.7 Ų27.718%0.18215%0.148CC..Hα-helixtrans-59.8-44.1176-69.6-172.8-66.600112.5E469 N470 A477 I641 Q644 I645E469-M473 WeakPolarHBondContact O-CG 3.49Å; E469-M473 PolarHBondContact O-N 3.12Å; N470-M473 HydrophobicContact CB-CE 4.4Å; N470-M473 PolarHBondContact O-N 3.46Å; N470-M473 VanDerWaalsContact OD1-CE 3.25Å; N470-M473 WeakPolarHBondContact OD1-CE 3.36Å; M473-A477 PolarHBondContact O-N 2.87Å; M473-A477 VanDerWaalsContact O-N 3.12Å; M473-I641 HydrophobicContact CB-CD1 4.25Å; M473-I641 HydrophobicContact CB-CG1 4.34Å; M473-I641 HydrophobicContact CB-CG2 4.21Å; M473-I641 HydrophobicContact CE-CG2 4.41Å; M473-I641 WeakPolarHBondContact O-CD1 3.43Å; M473-Q644 VanDerWaalsContact SD-CD 3.5Å; M473-Q644 HydrophobicContact SD-CG 4.48Å; M473-Q644 PolarHBondContact SD-NE2 3.01Å; M473-I645 HydrophobicContact CE-CG1 4.04Å
474L98.9Very high98.4Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-67.9-41.9178-71.3167.6000111.9N470 L472 A477 I478 F541 A545 L614 L638 I641 L659 P661 I664N470-L474 WeakPolarHBondContact O-CB 3.41Å; N470-L474 VanDerWaalsContact O-CG 3.28Å; N470-L474 WeakPolarHBondContact O-CG 3.21Å; N470-L474 PolarHBondContact O-N 3.07Å; L472-L474 VanDerWaalsContact C-N 3.34Å; L472-L474 PolarHBondContact O-N 3.34Å; L474-A477 PolarHBondContact O-N 2.82Å; L474-I478 WeakPolarHBondContact O-CB 3.3Å; L474-I478 WeakPolarHBondContact O-CD1 3.49Å; L474-I478 VanDerWaalsContact O-CG1 3.24Å; L474-I478 WeakPolarHBondContact O-CG1 3.35Å; L474-I478 PolarHBondContact O-N 3.26Å; L474-F541 HydrophobicContact CB-CE2 4.31Å; L474-A545 HydrophobicContact CB-CB 4.41Å; L474-A545 HydrophobicContact CD1-CB 3.89Å; L474-L614 HydrophobicContact CD2-CD2 4.34Å; L474-L638 HydrophobicContact CD2-CD2 4.04Å; L474-I641 HydrophobicContact CD2-CG2 4.22Å; L474-I641 HydrophobicContact CG-CG2 4.49Å; L474-L659 HydrophobicContact CD1-CB 4.02Å; L474-L659 HydrophobicContact CD1-CD1 4.41Å; L474-L659 HydrophobicContact CD1-CD2 3.98Å; L474-L659 HydrophobicContact CD1-CG 4.37Å; L474-P661 HydrophobicContact CD2-CG 4.11Å; L474-I664 HydrophobicContact CD1-CD1 3.53Å; L474-I664 HydrophobicContact CD2-CD1 4.24Å
475W98.9Very high98.7Very high15 Ų1523.3 Ų23.36%0.05712%0.121CC..Hα-helixtrans-57.2-50.5175.6176.4-88.4000111.4Q449 P450 S471 L472 A477 I478 H479 T537 V538 F541Q449-W475 HydrophobicContact CB-CH2 4.17Å; Q449-W475 HydrophobicContact CB-CZ2 4.3Å; Q449-W475 HydrophobicContact CG-CH2 3.87Å; Q449-W475 HydrophobicContact CG-CZ2 4.17Å; P450-W475 VanDerWaalsContact CD-CZ3 3.44Å; P450-W475 HydrophobicContact CG-CB 4.35Å; P450-W475 HydrophobicContact CG-CD2 4.09Å; P450-W475 HydrophobicContact CG-CE3 3.67Å; P450-W475 HydrophobicContact CG-CG 4.38Å; P450-W475 HydrophobicContact CG-CZ3 4.32Å; S471-W475 VanDerWaalsContact O-CB 3.24Å; S471-W475 WeakPolarHBondContact O-CB 2.97Å; S471-W475 PolarHBondContact O-N 2.88Å; L472-W475 PolarHBondContact O-N 3.13Å; W475-A477 VanDerWaalsContact C-N 3.34Å; W475-A477 PolarHBondContact O-N 3.24Å; W475-I478 PolarHBondContact O-N 3.34Å; W475-H479 WeakPolarHBondContact O-CB 3.3Å; W475-H479 PolarHBondContact O-N 3.41Å; W475-T537 HydrophobicContact CD2-CG2 3.77Å; W475-T537 HydrophobicContact CE3-CG2 3.74Å; W475-T537 HydrophobicContact CH2-CG2 3.66Å; W475-T537 HydrophobicContact CZ2-CG2 3.68Å; W475-T537 HydrophobicContact CZ3-CG2 3.71Å; W475-V538 HydrophobicContact CH2-CG2 3.65Å; W475-V538 HydrophobicContact CZ3-CG2 4.23Å; W475-F541 HydrophobicContact CB-CD2 4.13Å; W475-F541 HydrophobicContact CB-CE2 4.13Å; W475-F541 HydrophobicContact CE3-CB 3.71Å; W475-F541 AromaticContact CE3-CD1 3.97Å; W475-F541 HydrophobicContact CE3-CD1 3.97Å; W475-F541 AromaticContact CE3-CD2 3.85Å; W475-F541 HydrophobicContact CE3-CD2 3.85Å; W475-F541 AromaticContact CE3-CG 3.56Å; W475-F541 HydrophobicContact CE3-CG 3.56Å; W475-F541 HydrophobicContact CZ3-CB 3.84Å; W475-F541 HydrophobicContact CZ3-CD1 4.24Å; W475-F541 HydrophobicContact CZ3-CG 4.03Å
476E98.9Very high98.7Very high110 Ų11023.3 Ų23.351%0.51412%0.121SC..Hα-helixtrans-62.2-40.8179.4-66.9-57.1140.200111.9L472 H479 S480L472-E476 WeakPolarHBondContact O-CG 3.47Å; L472-E476 PolarHBondContact O-N 3.38Å; E476-H479 PolarHBondContact O-N 2.97Å; E476-S480 VanDerWaalsContact O-CB 3.32Å; E476-S480 WeakPolarHBondContact O-CB 3.38Å; E476-S480 PolarHBondContact O-N 3.15Å
477A98.9Very high98.8Very high7 Ų725 Ų256%0.05814%0.135CC..Hα-helixtrans-64.8-41.8176.700000112.6M473 L474 W475 F481 F634 K637 I641M473-A477 PolarHBondContact O-N 2.87Å; M473-A477 VanDerWaalsContact O-N 3.12Å; L474-A477 PolarHBondContact O-N 2.82Å; W475-A477 VanDerWaalsContact C-N 3.34Å; W475-A477 PolarHBondContact O-N 3.24Å; A477-F481 WeakPolarHBondContact O-CB 3.43Å; A477-F481 PolarHBondContact O-N 3.02Å; A477-F481 VanDerWaalsContact O-N 3.1Å; A477-F634 HydrophobicContact CB-CE2 4.22Å; A477-K637 HydrophobicContact CB-CG 3.82Å; A477-I641 HydrophobicContact CB-CD1 3.63Å
478I98.9Very high98.8Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-67.5-46.4176.4-66.9163.8000110L474 W475 S480 F481 V482 T537 I540 F541 L614 F634L474-I478 WeakPolarHBondContact O-CB 3.3Å; L474-I478 WeakPolarHBondContact O-CD1 3.49Å; L474-I478 VanDerWaalsContact O-CG1 3.24Å; L474-I478 WeakPolarHBondContact O-CG1 3.35Å; L474-I478 PolarHBondContact O-N 3.26Å; W475-I478 PolarHBondContact O-N 3.34Å; I478-S480 PolarHBondContact O-N 2.92Å; I478-F481 PolarHBondContact O-N 2.94Å; I478-V482 HydrophobicContact CG2-CG2 4.09Å; I478-V482 WeakPolarHBondContact O-CB 3.46Å; I478-V482 WeakPolarHBondContact O-CG2 3.48Å; I478-V482 PolarHBondContact O-N 3.45Å; I478-T537 HydrophobicContact CB-CG2 4.37Å; I478-T537 HydrophobicContact CG2-CG2 3.93Å; I478-I540 HydrophobicContact CD1-CG2 4.37Å; I478-I540 HydrophobicContact CG2-CB 3.97Å; I478-I540 HydrophobicContact CG2-CG2 3.68Å; I478-F541 HydrophobicContact CD1-CB 4.3Å; I478-F541 HydrophobicContact CD1-CD2 4.09Å; I478-L614 HydrophobicContact CD1-CD2 4.36Å; I478-F634 HydrophobicContact CG1-CE2 4.08Å; I478-F634 HydrophobicContact CG1-CZ 3.91Å
479H98.9Very high98.8Very high31 Ų3128 Ų2814%0.14415%0.15CC..Hα-helixtrans-61.1-43.9179.9-176.5-80.4000111.8W475 E476 V482 S483 E530 T537W475-H479 WeakPolarHBondContact O-CB 3.3Å; W475-H479 PolarHBondContact O-N 3.41Å; E476-H479 PolarHBondContact O-N 2.97Å; H479-V482 PolarHBondContact O-N 3.19Å; H479-S483 PolarHBondContact CE1-OG 3.35Å; H479-S483 VanDerWaalsContact CE1-OG 3.26Å; H479-S483 PolarHBondContact ND1-OG 3.49Å; H479-S483 WeakPolarHBondContact O-CB 3.48Å; H479-S483 PolarHBondContact O-N 3.42Å; H479-S483 PolarHBondContact O-OG 3.49Å; H479-E530 IonicContact CE1-OE1 3.71Å; H479-E530 PolarHBondContact CE1-OE1 3.36Å; H479-E530 IonicContact CE1-OE2 3.91Å; H479-E530 IonicContact NE2-OE1 2.72Å; H479-E530 PolarHBondContact NE2-OE1 3.42Å; H479-E530 IonicContact NE2-OE2 3.87Å; H479-T537 WeakPolarHBondContact CA-OG1 3.44Å; H479-T537 HydrophobicContact CB-CG2 3.84Å
480S98.9Very high98.8Very high65 Ų6525.4 Ų25.446%0.45514%0.138SC..Hα-helixtrans-60-50.1174.7-1740000111.4E476 I478 V482 S483 D484E476-S480 VanDerWaalsContact O-CB 3.32Å; E476-S480 WeakPolarHBondContact O-CB 3.38Å; E476-S480 PolarHBondContact O-N 3.15Å; I478-S480 PolarHBondContact O-N 2.92Å; S480-V482 PolarHBondContact O-N 2.91Å; S480-S483 PolarHBondContact O-N 3.13Å; S480-D484 VanDerWaalsContact O-CG 3.31Å; S480-D484 PolarHBondContact O-N 3.38Å
481F98.9Very high98.8Very high8 Ų832.1 Ų32.14%0.03517%0.169CC..Hα-helixtrans-58.7-47178.4166-118.4000112L395 A477 I478 D484 M485 Y617 I631 F634L395-F481 HydrophobicContact CD1-CE1 3.63Å; L395-F481 HydrophobicContact CD1-CZ 3.82Å; A477-F481 WeakPolarHBondContact O-CB 3.43Å; A477-F481 PolarHBondContact O-N 3.02Å; A477-F481 VanDerWaalsContact O-N 3.1Å; I478-F481 PolarHBondContact O-N 2.94Å; F481-D484 PolarHBondContact O-N 3.19Å; F481-M485 HydrophobicContact CD2-CG 3.95Å; F481-M485 HydrophobicContact CE2-CG 3.49Å; F481-M485 VanDerWaalsContact CE2-CG 3.49Å; F481-M485 HydrophobicContact CE2-SD 3.96Å; F481-M485 HydrophobicContact CZ-CG 3.82Å; F481-M485 HydrophobicContact CZ-SD 4.4Å; F481-M485 VanDerWaalsContact O-CG 3.26Å; F481-M485 WeakPolarHBondContact O-CG 3.36Å; F481-M485 PolarHBondContact O-N 3.16Å; F481-Y617 WeakPolarHBondContact CE1-OH 3.37Å; F481-Y617 HydrophobicContact CZ-CE2 4.29Å; F481-I631 HydrophobicContact CE2-CG1 3.87Å; F481-I631 HydrophobicContact CZ-CG1 3.99Å; F481-F634 HydrophobicContact CB-CB 3.97Å; F481-F634 HydrophobicContact CB-CD1 4.48Å; F481-F634 HydrophobicContact CB-CD2 3.64Å; F481-F634 HydrophobicContact CB-CE2 4.23Å; F481-F634 HydrophobicContact CB-CG 3.79Å; F481-F634 AromaticContact CD1-CD1 3.85Å; F481-F634 HydrophobicContact CD1-CD1 3.85Å; F481-F634 HydrophobicContact CD1-CD2 4.39Å; F481-F634 HydrophobicContact CD1-CE1 4.09Å; F481-F634 HydrophobicContact CD1-CG 4.01Å; F481-F634 HydrophobicContact CD1-CZ 4.46Å; F481-F634 HydrophobicContact CD2-CB 3.66Å; F481-F634 HydrophobicContact CD2-CD1 4.38Å; F481-F634 HydrophobicContact CD2-CG 4.06Å; F481-F634 HydrophobicContact CE1-CD1 4.15Å; F481-F634 HydrophobicContact CE1-CE1 4.42Å; F481-F634 HydrophobicContact CE2-CB 4.31Å; F481-F634 HydrophobicContact CG-CB 3.78Å; F481-F634 AromaticContact CG-CD1 3.97Å; F481-F634 HydrophobicContact CG-CD1 3.97Å; F481-F634 HydrophobicContact CG-CD2 4.03Å; F481-F634 AromaticContact CG-CG 3.67Å; F481-F634 HydrophobicContact CG-CG 3.67Å
482V98.9Very high98.7Very high0 Ų035.2 Ų35.20%019%0.188CC..Hα-helixtrans-63.1-43.5178.3169.40000111L395 I478 H479 S480 D484 M485 V486 S533 L536 I540L395-V482 HydrophobicContact CD2-CG1 4.42Å; L395-V482 HydrophobicContact CD2-CG2 4.45Å; I478-V482 HydrophobicContact CG2-CG2 4.09Å; I478-V482 WeakPolarHBondContact O-CB 3.46Å; I478-V482 WeakPolarHBondContact O-CG2 3.48Å; I478-V482 PolarHBondContact O-N 3.45Å; H479-V482 PolarHBondContact O-N 3.19Å; S480-V482 PolarHBondContact O-N 2.91Å; V482-D484 VanDerWaalsContact C-N 3.33Å; V482-D484 PolarHBondContact O-N 2.97Å; V482-M485 PolarHBondContact O-N 2.98Å; V482-V486 HydrophobicContact CG1-CG2 4.29Å; V482-V486 WeakPolarHBondContact O-CB 3.34Å; V482-V486 WeakPolarHBondContact O-CG2 3.44Å; V482-V486 PolarHBondContact O-N 3.47Å; V482-S533 WeakPolarHBondContact CG1-O 3.28Å; V482-L536 HydrophobicContact CG1-CB 3.58Å; V482-L536 HydrophobicContact CG1-CD1 3.96Å; V482-L536 HydrophobicContact CG1-CG 4.46Å; V482-I540 HydrophobicContact CG2-CD1 3.68Å
483S98.9Very high98.8Very high21 Ų2137.7 Ų37.715%0.14720%0.201CC..Hα-helixtrans-63.6-38.6179.5-63.50000112.2H479 S480 S487 S533H479-S483 PolarHBondContact CE1-OG 3.35Å; H479-S483 VanDerWaalsContact CE1-OG 3.26Å; H479-S483 PolarHBondContact ND1-OG 3.49Å; H479-S483 WeakPolarHBondContact O-CB 3.48Å; H479-S483 PolarHBondContact O-N 3.42Å; H479-S483 PolarHBondContact O-OG 3.49Å; S480-S483 PolarHBondContact O-N 3.13Å; S483-S487 VanDerWaalsContact O-CB 3.26Å; S483-S487 WeakPolarHBondContact O-CB 3.38Å; S483-S487 PolarHBondContact O-N 3.13Å; S483-S487 PolarHBondContact O-OG 2.77Å; S483-S533 WeakPolarHBondContact OG-CB 3.28Å
484D98.9Very high98.7Very high70 Ų7040.8 Ų40.837%0.37422%0.215SC..Hα-helixtrans-66.9-43.6174.4-69.1-26.7000111S480 F481 V482 S487 L488 L630S480-D484 VanDerWaalsContact O-CG 3.31Å; S480-D484 PolarHBondContact O-N 3.38Å; F481-D484 PolarHBondContact O-N 3.19Å; V482-D484 VanDerWaalsContact C-N 3.33Å; V482-D484 PolarHBondContact O-N 2.97Å; D484-S487 PolarHBondContact O-N 3.47Å; D484-L488 PolarHBondContact O-N 3.3Å; D484-L630 HydrophobicContact CB-CD1 3.97Å; D484-L630 HydrophobicContact CB-CD2 3.84Å; D484-L630 HydrophobicContact CB-CG 4.46Å
485M98.8Very high98.7Very high0 Ų043.5 Ų43.50%023%0.23CC..Hα-helixtrans-63.5-41.6175.1-70.2-67.5-75.100112L395 F481 V482 L488 Y489 F622 A627 L630L395-M485 HydrophobicContact CD1-CB 4.46Å; L395-M485 HydrophobicContact CD1-CE 4.33Å; L395-M485 HydrophobicContact CD1-CG 4.25Å; L395-M485 HydrophobicContact CD2-CB 4.36Å; F481-M485 HydrophobicContact CD2-CG 3.95Å; F481-M485 HydrophobicContact CE2-CG 3.49Å; F481-M485 VanDerWaalsContact CE2-CG 3.49Å; F481-M485 HydrophobicContact CE2-SD 3.96Å; F481-M485 HydrophobicContact CZ-CG 3.82Å; F481-M485 HydrophobicContact CZ-SD 4.4Å; F481-M485 VanDerWaalsContact O-CG 3.26Å; F481-M485 WeakPolarHBondContact O-CG 3.36Å; F481-M485 PolarHBondContact O-N 3.16Å; V482-M485 PolarHBondContact O-N 2.98Å; M485-L488 WeakPolarHBondContact O-CB 3.48Å; M485-L488 PolarHBondContact O-N 2.98Å; M485-Y489 HydrophobicContact CE-CE2 4.48Å; M485-Y489 WeakPolarHBondContact O-CD2 3.17Å; M485-F622 HydrophobicContact CE-CD1 4.14Å; M485-F622 HydrophobicContact CE-CD2 3.68Å; M485-F622 HydrophobicContact CE-CE1 3.71Å; M485-F622 HydrophobicContact CE-CE2 3.19Å; M485-F622 HydrophobicContact CE-CG 4.12Å; M485-F622 HydrophobicContact CE-CZ 3.2Å; M485-A627 HydrophobicContact CE-CB 4.26Å; M485-A627 HydrophobicContact SD-CB 4.34Å; M485-L630 HydrophobicContact CG-CD1 4.41Å; M485-L630 HydrophobicContact SD-CB 4.05Å; M485-L630 HydrophobicContact SD-CD1 3.81Å
486V98.9Very high98.7Very high0 Ų042.8 Ų42.80%023%0.227CC..Hα-helixtrans-63.6-45.3174.31670000110.2M392 V482 L488 Y489 Y490 K529 L532 L536M392-V486 HydrophobicContact CE-CG2 4.31Å; M392-V486 HydrophobicContact SD-CG2 3.97Å; V482-V486 HydrophobicContact CG1-CG2 4.29Å; V482-V486 WeakPolarHBondContact O-CB 3.34Å; V482-V486 WeakPolarHBondContact O-CG2 3.44Å; V482-V486 PolarHBondContact O-N 3.47Å; V486-L488 PolarHBondContact O-N 3.33Å; V486-Y489 PolarHBondContact O-N 3.2Å; V486-Y489 VanDerWaalsContact O-N 3.14Å; V486-Y490 HydrophobicContact CG1-CD2 4.22Å; V486-Y490 PolarHBondContact O-N 3.35Å; V486-K529 HydrophobicContact CG1-CB 4Å; V486-K529 HydrophobicContact CG1-CG 4.21Å; V486-L532 HydrophobicContact CG1-CD2 3.96Å; V486-L532 HydrophobicContact CG1-CG 4.5Å; V486-L532 HydrophobicContact CG2-CD2 4.04Å; V486-L532 HydrophobicContact CG2-CG 4.08Å; V486-L536 HydrophobicContact CG2-CD1 3.75Å
487S98.7Very high98.7Very high53 Ų5341.5 Ų41.537%0.37122%0.221SC..Hα-helixtrans-66.8-25-179.3-63.40000113.6S483 D484 Y489S483-S487 VanDerWaalsContact O-CB 3.26Å; S483-S487 WeakPolarHBondContact O-CB 3.38Å; S483-S487 PolarHBondContact O-N 3.13Å; S483-S487 PolarHBondContact O-OG 2.77Å; D484-S487 PolarHBondContact O-N 3.47Å; S487-Y489 VanDerWaalsContact C-N 3.33Å
488L98.5Very high98.6Very high50 Ų5047.2 Ų47.226%0.26225%0.245SC..Hα-helixtrans-64.2-37.5173179.658.5000112D484 M485 V486 V626 A627 L630D484-L488 PolarHBondContact O-N 3.3Å; M485-L488 WeakPolarHBondContact O-CB 3.48Å; M485-L488 PolarHBondContact O-N 2.98Å; V486-L488 PolarHBondContact O-N 3.33Å; L488-V626 HydrophobicContact CD1-CB 4.21Å; L488-V626 HydrophobicContact CD1-CG1 3.7Å; L488-V626 HydrophobicContact CD2-CB 4.43Å; L488-V626 HydrophobicContact CD2-CG1 4.22Å; L488-A627 HydrophobicContact CD2-CB 3.9Å; L488-L630 HydrophobicContact CB-CD1 4.48Å; L488-L630 HydrophobicContact CD2-CD1 4.21Å
489Y98.4Very high98.6Very high37 Ų3747.5 Ų47.515%0.14525%0.246CC..Hα-helixtrans-107.7-19.7-173.5-61.8-70.4000114.6A117 P391 M392 M485 V486 S487 F622 E624A117-Y489 HydrophobicContact CB-CD1 4.31Å; A117-Y489 HydrophobicContact CB-CE1 3.59Å; P391-Y489 HydrophobicContact CB-CD1 4.02Å; P391-Y489 HydrophobicContact CB-CD2 3.35Å; P391-Y489 HydrophobicContact CB-CE1 4.32Å; P391-Y489 HydrophobicContact CB-CE2 3.72Å; P391-Y489 HydrophobicContact CB-CG 3.53Å; P391-Y489 HydrophobicContact CG-CD1 4.31Å; P391-Y489 HydrophobicContact CG-CD2 4.16Å; P391-Y489 HydrophobicContact CG-CG 3.86Å; M392-Y489 HydrophobicContact CE-CD2 4.48Å; M485-Y489 HydrophobicContact CE-CE2 4.48Å; M485-Y489 WeakPolarHBondContact O-CD2 3.17Å; V486-Y489 PolarHBondContact O-N 3.2Å; V486-Y489 VanDerWaalsContact O-N 3.14Å; S487-Y489 VanDerWaalsContact C-N 3.33Å; Y489-F622 HydrophobicContact CE2-CD1 4.42Å; Y489-F622 AromaticContact CE2-CE1 3.67Å; Y489-F622 HydrophobicContact CE2-CE1 3.67Å; Y489-F622 HydrophobicContact CE2-CZ 4.36Å; Y489-F622 AromaticContact CZ-CE1 3.77Å; Y489-F622 VanDerWaalsContact OH-CD1 3.23Å; Y489-F622 WeakPolarHBondContact OH-CD1 3.5Å; Y489-F622 VanDerWaalsContact OH-CE1 3.26Å; Y489-F622 WeakPolarHBondContact OH-CE1 3.35Å; Y489-E624 WeakPolarHBondContact CE1-OE1 3.35Å; Y489-E624 PolarHBondContact OH-OE1 3.36Å
490Y98.6Very high98.6Very high3 Ų349.2 Ų49.21%0.01226%0.26CS..  trans-123.9111.2176.9-60.8-86000108.9T119 H390 P391 M392 V486 D495 V496 D499 L502 K529 L532T119-Y490 HydrophobicContact CG2-CE1 4.05Å; H390-Y490 PolarHBondContact CE1-OH 3.42Å; H390-Y490 PolarHBondContact NE2-OH 2.83Å; H390-Y490 VanDerWaalsContact NE2-OH 3.16Å; P391-Y490 HydrophobicContact CG-CE2 4.44Å; M392-Y490 HydrophobicContact CE-CE2 4.4Å; M392-Y490 HydrophobicContact CG-CE2 4.4Å; V486-Y490 HydrophobicContact CG1-CD2 4.22Å; V486-Y490 PolarHBondContact O-N 3.35Å; Y490-D495 HydrophobicContact CD1-CB 3.8Å; Y490-V496 HydrophobicContact CD1-CG2 3.8Å; Y490-V496 HydrophobicContact CG-CG2 3.81Å; Y490-D499 HydrophobicContact CE1-CB 4.09Å; Y490-D499 WeakPolarHBondContact CE1-OD2 3.38Å; Y490-D499 PolarHBondContact OH-OD2 2.93Å; Y490-L502 HydrophobicContact CE1-CD1 3.76Å; Y490-L502 HydrophobicContact CE2-CD1 4.06Å; Y490-L502 WeakPolarHBondContact OH-CD1 3.49Å; Y490-K529 WeakPolarHBondContact O-CD 3.41Å; Y490-L532 HydrophobicContact CD2-CD2 4.14Å; Y490-L532 HydrophobicContact CE2-CD2 4.07Å
491H97.9Very high98.6Very high140 Ų14046.7 Ų46.765%0.64824%0.241SC*.SBendtrans-80.8-35.4-176-61.4-42.7000111.3D495 K529H491-D495 PolarHBondContact N-OD2 3.18Å; H491-K529 PolarHBondContact O-NZ 2.69Å
492T98.4Very high98.6Very high66 Ų6646.3 Ų46.341%0.40524%0.239SC..SBendtrans-128.2159.5-178.270.10000111.8Q494 D495T492-Q494 PolarHBondContact O-N 3.38Å; T492-Q494 PolarHBondContact OG1-N 2.99Å; T492-D495 PolarHBondContact N-OD2 3.31Å; T492-D495 WeakPolarHBondContact O-CB 3.32Å; T492-D495 PolarHBondContact O-N 2.87Å; T492-D495 VanDerWaalsContact OG1-CG 3.24Å; T492-D495 PolarHBondContact OG1-N 2.92Å; T492-D495 PolarHBondContact OG1-OD1 2.85Å; T492-D495 PolarHBondContact OG1-OD2 2.93Å; T492-D495 VanDerWaalsContact OG1-OD2 3.11Å
493D98.8Very high98.6Very high78 Ų7848 Ų4842%0.41725%0.247SC..Hα-helixtrans-58.2-30.7171.8-69.7-22000112.2D495 V496 E497 S528 K529D493-D495 VanDerWaalsContact C-N 3.27Å; D493-D495 PolarHBondContact O-N 2.78Å; D493-V496 WeakPolarHBondContact O-CB 3.27Å; D493-V496 PolarHBondContact O-N 2.86Å; D493-E497 PolarHBondContact O-N 3Å; D493-S528 WeakPolarHBondContact OD1-CA 3.32Å; D493-S528 WeakPolarHBondContact OD1-CB 3.43Å; D493-K529 PolarHBondContact OD1-N 3.47Å
494Q98.4Very high98.6Very high102 Ų10248.6 Ų48.648%0.47725%0.253SS..Hα-helixtrans-66.8-28.7177-166.917649.500112.5T492 V496 E497 K498T492-Q494 PolarHBondContact O-N 3.38Å; T492-Q494 PolarHBondContact OG1-N 2.99Å; Q494-V496 VanDerWaalsContact C-N 3.33Å; Q494-E497 PolarHBondContact O-N 2.94Å; Q494-K498 HydrophobicContact CG-CD 3.85Å; Q494-K498 VanDerWaalsContact CG-CE 3.42Å; Q494-K498 HydrophobicContact CG-CG 4.21Å; Q494-K498 VanDerWaalsContact NE2-CE 3.32Å; Q494-K498 VanDerWaalsContact NE2-NZ 3.15Å; Q494-K498 VanDerWaalsContact O-CB 3.29Å; Q494-K498 WeakPolarHBondContact O-CB 3.44Å; Q494-K498 VanDerWaalsContact O-CG 3.25Å; Q494-K498 WeakPolarHBondContact O-CG 3.43Å; Q494-K498 PolarHBondContact O-N 3.45Å; Q494-K498 VanDerWaalsContact OE1-NZ 3.09Å
495D98.4Very high98.6Very high57 Ų5745.3 Ų45.331%0.30524%0.236SC..Hα-helixtrans-66.8-39.4176-56.7-33.6000110.2Y490 H491 T492 D493 D499Y490-D495 HydrophobicContact CD1-CB 3.8Å; H491-D495 PolarHBondContact N-OD2 3.18Å; T492-D495 PolarHBondContact N-OD2 3.31Å; T492-D495 WeakPolarHBondContact O-CB 3.32Å; T492-D495 PolarHBondContact O-N 2.87Å; T492-D495 VanDerWaalsContact OG1-CG 3.24Å; T492-D495 PolarHBondContact OG1-N 2.92Å; T492-D495 PolarHBondContact OG1-OD1 2.85Å; T492-D495 PolarHBondContact OG1-OD2 2.93Å; T492-D495 VanDerWaalsContact OG1-OD2 3.11Å; D493-D495 VanDerWaalsContact C-N 3.27Å; D493-D495 PolarHBondContact O-N 2.78Å; D495-D499 PolarHBondContact O-N 3.35Å
496V98.7Very high98.6Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-65.9-46.9174.1177.70000111Y490 D493 Q494 K498 D499 L502 Q503 L526 K529 L532Y490-V496 HydrophobicContact CD1-CG2 3.8Å; Y490-V496 HydrophobicContact CG-CG2 3.81Å; D493-V496 WeakPolarHBondContact O-CB 3.27Å; D493-V496 PolarHBondContact O-N 2.86Å; Q494-V496 VanDerWaalsContact C-N 3.33Å; V496-K498 PolarHBondContact O-N 3.35Å; V496-D499 PolarHBondContact O-N 2.77Å; V496-L502 HydrophobicContact CG1-CD1 4.31Å; V496-Q503 PolarHBondContact O-NE2 3.33Å; V496-L526 HydrophobicContact CG1-CB 3.9Å; V496-K529 HydrophobicContact CG2-CG 3.88Å; V496-L532 HydrophobicContact CG1-CB 4.24Å; V496-L532 HydrophobicContact CG1-CD2 4.25Å; V496-L532 HydrophobicContact CG2-CD2 4.01Å
497E98.3Very high98.5Very high83 Ų8350.4 Ų50.439%0.38826%0.258SS..Hα-helixtrans-61-36-179.8-174179.6-164.100112.1D493 Q494 K525D493-E497 PolarHBondContact O-N 3Å; Q494-E497 PolarHBondContact O-N 2.94Å; E497-K525 IonicContact OE1-NZ 3.81Å; E497-K525 PolarHBondContact OE1-NZ 2.97Å
498K97.9Very high98.5Very high127 Ų12748.3 Ų48.355%0.55224%0.242SC*.Hα-helixtrans-85.7-10.3-176.6-73.5177179.4165.70114.4Q494 V496 P500Q494-K498 HydrophobicContact CG-CD 3.85Å; Q494-K498 VanDerWaalsContact CG-CE 3.42Å; Q494-K498 HydrophobicContact CG-CG 4.21Å; Q494-K498 VanDerWaalsContact NE2-CE 3.32Å; Q494-K498 VanDerWaalsContact NE2-NZ 3.15Å; Q494-K498 VanDerWaalsContact O-CB 3.29Å; Q494-K498 WeakPolarHBondContact O-CB 3.44Å; Q494-K498 VanDerWaalsContact O-CG 3.25Å; Q494-K498 WeakPolarHBondContact O-CG 3.43Å; Q494-K498 PolarHBondContact O-N 3.45Å; Q494-K498 VanDerWaalsContact OE1-NZ 3.09Å; V496-K498 PolarHBondContact O-N 3.35Å; K498-P500 WeakPolarHBondContact O-CD 3.21Å
499D98.7Very high98.5Very high7 Ų745.9 Ų45.94%0.03723%0.23CC..  trans-77.5105.2-179.5-171.9-32.8000110.9H390 Y490 D495 V496 E501 L502 Q503H390-D499 IonicContact NE2-OD2 3.58Å; H390-D499 PolarHBondContact NE2-OD2 2.85Å; Y490-D499 HydrophobicContact CE1-CB 4.09Å; Y490-D499 WeakPolarHBondContact CE1-OD2 3.38Å; Y490-D499 PolarHBondContact OH-OD2 2.93Å; D495-D499 PolarHBondContact O-N 3.35Å; V496-D499 PolarHBondContact O-N 2.77Å; D499-E501 VanDerWaalsContact C-N 3.29Å; D499-E501 PolarHBondContact O-N 3.24Å; D499-E501 WeakPolarHBondContact OD1-CB 3.37Å; D499-E501 PolarHBondContact OD1-N 3.44Å; D499-L502 HydrophobicContact CB-CB 3.99Å; D499-L502 HydrophobicContact CB-CD1 4.02Å; D499-L502 HydrophobicContact CB-CG 4.06Å; D499-L502 PolarHBondContact O-N 2.98Å; D499-L502 PolarHBondContact OD1-N 3.17Å; D499-L502 VanDerWaalsContact OD1-N 3.14Å; D499-Q503 VanDerWaalsContact O-CG 3.31Å; D499-Q503 WeakPolarHBondContact O-CG 3.14Å; D499-Q503 PolarHBondContact O-N 3.27Å
500P98.4Very high98.5Very high66 Ų6645.2 Ų45.243%0.42923%0.232SC..Hα-helixtrans-71.2-24.4-174.131.9-35.6000113L120 K498 A504L120-P500 HydrophobicContact CD2-CG 3.44Å; L120-P500 VanDerWaalsContact CD2-CG 3.44Å; K498-P500 WeakPolarHBondContact O-CD 3.21Å; P500-A504 VanDerWaalsContact O-CB 3.3Å; P500-A504 WeakPolarHBondContact O-CB 3.47Å; P500-A504 PolarHBondContact O-N 2.89Å
501E98.8Very high98.3Very high13 Ų1348.9 Ų48.96%0.06125%0.249CC..Hα-helixtrans-71.7-42.4177.6-62-179159.600109.1R132 L136 L386 P387 H390 D499 A504 W505R132-E501 VanDerWaalsContact CD-OE1 3.24Å; R132-E501 WeakPolarHBondContact CD-OE1 3.45Å; R132-E501 WeakPolarHBondContact CG-OE1 3.46Å; R132-E501 IonicContact CZ-OE1 3.28Å; R132-E501 IonicContact CZ-OE2 4Å; R132-E501 IonicContact NE-OE1 2.81Å; R132-E501 PolarHBondContact NE-OE1 2.98Å; R132-E501 IonicContact NE-OE2 2.79Å; R132-E501 PolarHBondContact NE-OE2 3.42Å; R132-E501 VanDerWaalsContact NE-OE2 3.13Å; R132-E501 IonicContact NH2-OE1 3.05Å; R132-E501 IonicContact NH2-OE2 3.83Å; R132-E501 PolarHBondContact NH2-OE2 2.84Å; L136-E501 HydrophobicContact CD1-CG 4.36Å; L386-E501 HydrophobicContact CD2-CB 4.17Å; P387-E501 WeakPolarHBondContact CD-OE2 3.35Å; P387-E501 WeakPolarHBondContact CG-OE2 3.47Å; H390-E501 IonicContact CD2-OE2 3.87Å; H390-E501 PolarHBondContact CD2-OE2 3.19Å; H390-E501 VanDerWaalsContact CD2-OE2 3.28Å; D499-E501 VanDerWaalsContact C-N 3.29Å; D499-E501 PolarHBondContact O-N 3.24Å; D499-E501 WeakPolarHBondContact OD1-CB 3.37Å; D499-E501 PolarHBondContact OD1-N 3.44Å; E501-A504 PolarHBondContact O-N 2.96Å; E501-W505 WeakPolarHBondContact O-CB 3.17Å; E501-W505 PolarHBondContact O-N 3.33Å
502L98.6Very high98.3Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-63.8-44.4171.5-74.4-173000113.2L386 M392 Y490 V496 D499 A504 W505 I506 L532L386-L502 HydrophobicContact CD2-CD2 4.16Å; M392-L502 HydrophobicContact CB-CD2 4.21Å; M392-L502 HydrophobicContact CG-CD2 3.88Å; Y490-L502 HydrophobicContact CE1-CD1 3.76Å; Y490-L502 HydrophobicContact CE2-CD1 4.06Å; Y490-L502 WeakPolarHBondContact OH-CD1 3.49Å; V496-L502 HydrophobicContact CG1-CD1 4.31Å; D499-L502 HydrophobicContact CB-CB 3.99Å; D499-L502 HydrophobicContact CB-CD1 4.02Å; D499-L502 HydrophobicContact CB-CG 4.06Å; D499-L502 PolarHBondContact O-N 2.98Å; D499-L502 PolarHBondContact OD1-N 3.17Å; D499-L502 VanDerWaalsContact OD1-N 3.14Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 2.84Å; L502-W505 HydrophobicContact CD2-CE3 4.49Å; L502-W505 WeakPolarHBondContact O-CB 3.49Å; L502-W505 PolarHBondContact O-N 3.46Å; L502-W505 VanDerWaalsContact O-N 3.17Å; L502-I506 WeakPolarHBondContact O-CG2 3.07Å; L502-I506 PolarHBondContact O-N 2.83Å; L502-L532 HydrophobicContact CD1-CD1 4.34Å; L502-L532 HydrophobicContact CD1-CD2 3.74Å; L502-L532 HydrophobicContact CD2-CD1 4.24Å
503Q98.8Very high98.2Very high36 Ų3642.7 Ų42.717%0.16822%0.216CC..Hα-helixtrans-64.5-36.8178.6-62.8-49.7-46.300111.4V496 D499 I506 K507 K525 L526V496-Q503 PolarHBondContact O-NE2 3.33Å; D499-Q503 VanDerWaalsContact O-CG 3.31Å; D499-Q503 WeakPolarHBondContact O-CG 3.14Å; D499-Q503 PolarHBondContact O-N 3.27Å; Q503-I506 VanDerWaalsContact O-CG2 3.3Å; Q503-I506 WeakPolarHBondContact O-CG2 2.94Å; Q503-K507 VanDerWaalsContact O-CB 3.26Å; Q503-K507 WeakPolarHBondContact O-CB 3.19Å; Q503-K507 PolarHBondContact O-N 2.91Å; Q503-K507 VanDerWaalsContact O-N 3.17Å; Q503-K525 VanDerWaalsContact OE1-CG 3.27Å; Q503-L526 PolarHBondContact NE2-O 3.19Å; Q503-L526 VanDerWaalsContact OE1-N 3.09Å
504A98.9Very high98.1Very high33 Ų3339.3 Ų39.327%0.27320%0.198SC..Hα-helixtrans-65.6-40.6172.500000111.8Q385 P500 E501 L502 K507 D508Q385-A504 HydrophobicContact CB-CB 4.4Å; Q385-A504 HydrophobicContact CG-CB 4.41Å; P500-A504 VanDerWaalsContact O-CB 3.3Å; P500-A504 WeakPolarHBondContact O-CB 3.47Å; P500-A504 PolarHBondContact O-N 2.89Å; E501-A504 PolarHBondContact O-N 2.96Å; L502-A504 VanDerWaalsContact C-N 3.29Å; L502-A504 PolarHBondContact O-N 2.84Å; A504-K507 PolarHBondContact O-N 2.77Å; A504-D508 WeakPolarHBondContact O-CB 3.2Å; A504-D508 PolarHBondContact O-N 2.83Å
505W98.9Very high97.8Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-60.8-51.7177.8176.675.1000113.1F378 T382 Q385 L386 L396 E501 L502 K507 D508 I509 L526 L532 L535 L536F378-W505 HydrophobicContact CD1-CZ2 4.05Å; T382-W505 PolarHBondContact OG1-NE1 3.4Å; Q385-W505 HydrophobicContact CB-CB 3.84Å; Q385-W505 HydrophobicContact CG-CB 4.48Å; L386-W505 HydrophobicContact CD1-CD2 4.32Å; L386-W505 HydrophobicContact CD1-CG 4.05Å; L386-W505 HydrophobicContact CD2-CB 4Å; L386-W505 HydrophobicContact CD2-CG 4.35Å; L386-W505 HydrophobicContact CG-CB 4.21Å; L386-W505 HydrophobicContact CG-CG 4.12Å; L396-W505 HydrophobicContact CD1-CZ2 3.78Å; E501-W505 WeakPolarHBondContact O-CB 3.17Å; E501-W505 PolarHBondContact O-N 3.33Å; L502-W505 HydrophobicContact CD2-CE3 4.49Å; L502-W505 WeakPolarHBondContact O-CB 3.49Å; L502-W505 PolarHBondContact O-N 3.46Å; L502-W505 VanDerWaalsContact O-N 3.17Å; W505-K507 VanDerWaalsContact C-N 3.29Å; W505-K507 PolarHBondContact O-N 3.15Å; W505-D508 PolarHBondContact O-N 3.43Å; W505-I509 HydrophobicContact CD2-CD1 3.75Å; W505-I509 HydrophobicContact CE3-CD1 4.2Å; W505-I509 HydrophobicContact CG-CD1 4.31Å; W505-I509 HydrophobicContact CH2-CD1 3.98Å; W505-I509 HydrophobicContact CZ2-CD1 3.49Å; W505-I509 VanDerWaalsContact CZ2-CD1 3.49Å; W505-I509 HydrophobicContact CZ3-CD1 4.32Å; W505-I509 WeakPolarHBondContact O-CG1 3.2Å; W505-I509 PolarHBondContact O-N 3.17Å; W505-L526 HydrophobicContact CE3-CD1 4.42Å; W505-L526 HydrophobicContact CZ3-CD1 4.32Å; W505-L532 HydrophobicContact CZ3-CD1 4.2Å; W505-L535 HydrophobicContact CE3-CD2 4.46Å; W505-L535 HydrophobicContact CH2-CD2 3.77Å; W505-L535 HydrophobicContact CH2-CG 4.02Å; W505-L535 HydrophobicContact CZ3-CD2 3.53Å; W505-L535 HydrophobicContact CZ3-CG 4.24Å; W505-L536 HydrophobicContact CH2-CD2 3.88Å; W505-L536 HydrophobicContact CH2-CG 4.46Å; W505-L536 HydrophobicContact CZ2-CD2 4.41Å
506I98.8Very high97.3Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-64.1-36.6177.7-177.852.9000111.9L502 Q503 I509 A510 L522 S523 L526 L535L502-I506 WeakPolarHBondContact O-CG2 3.07Å; L502-I506 PolarHBondContact O-N 2.83Å; Q503-I506 VanDerWaalsContact O-CG2 3.3Å; Q503-I506 WeakPolarHBondContact O-CG2 2.94Å; I506-I509 PolarHBondContact O-N 2.85Å; I506-A510 WeakPolarHBondContact O-CB 3.17Å; I506-A510 PolarHBondContact O-N 3.47Å; I506-L522 HydrophobicContact CD1-CD1 4.07Å; I506-L522 HydrophobicContact CD1-CD2 3.86Å; I506-L522 HydrophobicContact CD1-CG 3.96Å; I506-S523 VanDerWaalsContact CD1-O 3.29Å; I506-S523 WeakPolarHBondContact CD1-O 3.29Å; I506-S523 WeakPolarHBondContact CG1-O 3.46Å; I506-L526 HydrophobicContact CB-CD1 4.01Å; I506-L526 HydrophobicContact CB-CG 3.99Å; I506-L526 HydrophobicContact CG1-CD2 4.48Å; I506-L526 HydrophobicContact CG1-CG 4.05Å; I506-L526 HydrophobicContact CG2-CD1 4.2Å; I506-L526 HydrophobicContact CG2-CG 4Å; I506-L535 HydrophobicContact CD1-CD2 3.5Å; I506-L535 VanDerWaalsContact CD1-CD2 3.5Å; I506-L535 HydrophobicContact CG1-CD2 4.47Å
507K98.6Very high97Very high108 Ų10839.4 Ų39.447%0.4720%0.198SC..Hα-helixtrans-64.1-43.9175.8-170.8179.3-179.2-176.90111.8Q503 A504 W505 I509 A510 E511Q503-K507 VanDerWaalsContact O-CB 3.26Å; Q503-K507 WeakPolarHBondContact O-CB 3.19Å; Q503-K507 PolarHBondContact O-N 2.91Å; Q503-K507 VanDerWaalsContact O-N 3.17Å; A504-K507 PolarHBondContact O-N 2.77Å; W505-K507 VanDerWaalsContact C-N 3.29Å; W505-K507 PolarHBondContact O-N 3.15Å; K507-I509 VanDerWaalsContact C-N 3.31Å; K507-I509 PolarHBondContact O-N 3.04Å; K507-A510 PolarHBondContact O-N 3.24Å; K507-E511 WeakPolarHBondContact CE-OE1 3.39Å; K507-E511 WeakPolarHBondContact CE-OE2 3.46Å; K507-E511 VanDerWaalsContact CG-CD 3.49Å; K507-E511 HydrophobicContact CG-CG 4.1Å; K507-E511 IonicContact NZ-OE2 2.8Å; K507-E511 VanDerWaalsContact O-CB 3.29Å; K507-E511 WeakPolarHBondContact O-CB 3.31Å; K507-E511 PolarHBondContact O-N 3.05Å
508D98.6Very high96.3Very high8 Ų841.1 Ų41.14%0.04322%0.217CC..Iπ-helixtrans-62.6-39177.2-149.220000110.7W145 A381 R384 Q385 A504 W505 E512 G513W145-D508 PolarHBondContact NE1-OD1 3.04Å; A381-D508 HydrophobicContact CB-CB 4.17Å; R384-D508 WeakPolarHBondContact CD-OD2 3.33Å; R384-D508 IonicContact CZ-OD2 3.74Å; R384-D508 IonicContact NE-OD1 3.61Å; R384-D508 IonicContact NE-OD2 3.64Å; R384-D508 PolarHBondContact NE-OD2 3.35Å; R384-D508 IonicContact NH2-OD1 3.12Å; R384-D508 IonicContact NH2-OD2 3.84Å; Q385-D508 HydrophobicContact CG-CB 3.87Å; Q385-D508 WeakPolarHBondContact CG-OD2 3.24Å; Q385-D508 PolarHBondContact NE2-OD2 2.89Å; A504-D508 WeakPolarHBondContact O-CB 3.2Å; A504-D508 PolarHBondContact O-N 2.83Å; W505-D508 PolarHBondContact O-N 3.43Å; D508-E512 CarbonylContact O-C 3.57Å; D508-E512 WeakPolarHBondContact O-CA 3.29Å; D508-E512 VanDerWaalsContact O-CB 3.32Å; D508-E512 WeakPolarHBondContact O-CB 3.4Å; D508-E512 PolarHBondContact O-N 2.92Å; D508-E512 VanDerWaalsContact O-N 3.11Å; D508-E512 WeakPolarHBondContact OD1-CB 3.19Å; D508-E512 WeakPolarHBondContact OD1-CG 3.27Å; D508-G513 PolarHBondContact O-N 3.44Å
509I98.7Very high95.9Very high0 Ų040.9 Ų40.90%022%0.221CC..Iπ-helixtrans-63.4-52.6174-68.7165.9000111.5V377 F378 A381 W505 I506 K507 G513 F514 L522V377-I509 HydrophobicContact CG1-CB 4.34Å; V377-I509 HydrophobicContact CG1-CG1 4.35Å; V377-I509 HydrophobicContact CG1-CG2 3.96Å; F378-I509 HydrophobicContact CD1-CD1 3.58Å; F378-I509 HydrophobicContact CD1-CG1 4.37Å; F378-I509 HydrophobicContact CE1-CD1 3.81Å; F378-I509 HydrophobicContact CE1-CG2 4.36Å; A381-I509 HydrophobicContact CB-CD1 4.22Å; A381-I509 HydrophobicContact CB-CG1 3.47Å; A381-I509 VanDerWaalsContact CB-CG1 3.47Å; W505-I509 HydrophobicContact CD2-CD1 3.75Å; W505-I509 HydrophobicContact CE3-CD1 4.2Å; W505-I509 HydrophobicContact CG-CD1 4.31Å; W505-I509 HydrophobicContact CH2-CD1 3.98Å; W505-I509 HydrophobicContact CZ2-CD1 3.49Å; W505-I509 VanDerWaalsContact CZ2-CD1 3.49Å; W505-I509 HydrophobicContact CZ3-CD1 4.32Å; W505-I509 WeakPolarHBondContact O-CG1 3.2Å; W505-I509 PolarHBondContact O-N 3.17Å; I506-I509 PolarHBondContact O-N 2.85Å; K507-I509 VanDerWaalsContact C-N 3.31Å; K507-I509 PolarHBondContact O-N 3.04Å; I509-G513 PolarHBondContact O-N 2.87Å; I509-F514 HydrophobicContact CG2-CD2 3.77Å; I509-F514 HydrophobicContact CG2-CE2 3.8Å; I509-F514 WeakPolarHBondContact O-CD2 3.47Å; I509-F514 PolarHBondContact O-N 2.77Å; I509-L522 HydrophobicContact CG2-CD2 3.67Å
510A97.3Very high95.7Very high22 Ų2241 Ų4118%0.18222%0.222CC..Iπ-helixtrans-77.4-34.1-170.300000113.5I506 K507 N524I506-A510 WeakPolarHBondContact O-CB 3.17Å; I506-A510 PolarHBondContact O-N 3.47Å; K507-A510 PolarHBondContact O-N 3.24Å; A510-N524 HydrophobicContact CB-CB 3.84Å
511E95.4Very high95.5Very high80 Ų8041 Ų4137%0.37423%0.234SC..Iπ-helixtrans-103.3-31.3-173.8-60.6-176.6-174.800113.6K507 T515 N524K507-E511 WeakPolarHBondContact CE-OE1 3.39Å; K507-E511 WeakPolarHBondContact CE-OE2 3.46Å; K507-E511 VanDerWaalsContact CG-CD 3.49Å; K507-E511 HydrophobicContact CG-CG 4.1Å; K507-E511 IonicContact NZ-OE2 2.8Å; K507-E511 VanDerWaalsContact O-CB 3.29Å; K507-E511 WeakPolarHBondContact O-CB 3.31Å; K507-E511 PolarHBondContact O-N 3.05Å; E511-T515 VanDerWaalsContact O-CG2 3.23Å; E511-T515 WeakPolarHBondContact O-CG2 3.39Å; E511-N524 HydrophobicContact CG-CB 4.28Å; E511-N524 PolarHBondContact OE1-ND2 2.79Å
512E96.6Very high95.4Very high77 Ų7741.8 Ų41.836%0.3624%0.238SC..Iπ-helixtrans-105.7-37.7-178-62.5-72153.400112.9W145 R154 D508 T515W145-E512 HydrophobicContact CD2-CB 4.45Å; W145-E512 HydrophobicContact CG-CB 4.24Å; R154-E512 WeakPolarHBondContact CB-O 3.31Å; R154-E512 VanDerWaalsContact CD-O 3.27Å; R154-E512 WeakPolarHBondContact CD-O 3.29Å; R154-E512 IonicContact CZ-OE2 2.79Å; R154-E512 IonicContact NH1-OE2 2.85Å; R154-E512 PolarHBondContact NH1-OE2 2.98Å; D508-E512 CarbonylContact O-C 3.57Å; D508-E512 WeakPolarHBondContact O-CA 3.29Å; D508-E512 VanDerWaalsContact O-CB 3.32Å; D508-E512 WeakPolarHBondContact O-CB 3.4Å; D508-E512 PolarHBondContact O-N 2.92Å; D508-E512 VanDerWaalsContact O-N 3.11Å; D508-E512 WeakPolarHBondContact OD1-CB 3.19Å; D508-E512 WeakPolarHBondContact OD1-CG 3.27Å; E512-T515 WeakPolarHBondContact O-CG2 3.47Å
513G97.3Very high95.3Very high0 Ų044.8 Ų44.80%026%0.259CS..Iπ-helixtrans-77.4-62.1178.700000112.7R154 D508 I509 T515R154-G513 PolarHBondContact N-O 2.82Å; D508-G513 PolarHBondContact O-N 3.44Å; I509-G513 PolarHBondContact O-N 2.87Å; G513-T515 VanDerWaalsContact C-N 3.29Å; G513-T515 PolarHBondContact O-N 3.14Å; G513-T515 VanDerWaalsContact O-N 3.13Å
514F96.7Very high95.1Very high7 Ų746.8 Ų46.83%0.03127%0.271CS..SBendtrans-87.258.5179.2-66-64.2000112.6P153 V374 V377 F378 Y440 I509 F520P153-F514 HydrophobicContact CB-CD1 4.42Å; P153-F514 HydrophobicContact CB-CE1 4.45Å; P153-F514 HydrophobicContact CG-CD1 4.34Å; P153-F514 HydrophobicContact CG-CE1 4.23Å; V374-F514 HydrophobicContact CB-CZ 4.43Å; V374-F514 HydrophobicContact CG1-CZ 4.2Å; V374-F514 HydrophobicContact CG2-CE1 4.17Å; V374-F514 HydrophobicContact CG2-CZ 4.27Å; V377-F514 HydrophobicContact CB-CE2 4.12Å; V377-F514 HydrophobicContact CB-CZ 4.04Å; V377-F514 HydrophobicContact CG1-CD2 3.89Å; V377-F514 HydrophobicContact CG1-CE2 3.63Å; V377-F514 HydrophobicContact CG1-CZ 4.07Å; V377-F514 HydrophobicContact CG2-CD1 4.47Å; V377-F514 HydrophobicContact CG2-CE1 4.17Å; V377-F514 HydrophobicContact CG2-CE2 4.5Å; V377-F514 HydrophobicContact CG2-CZ 4.18Å; F378-F514 HydrophobicContact CE2-CE2 4.49Å; Y440-F514 HydrophobicContact CE2-CD1 4.12Å; Y440-F514 VanDerWaalsContact OH-CA 3.28Å; Y440-F514 WeakPolarHBondContact OH-CA 3.34Å; I509-F514 HydrophobicContact CG2-CD2 3.77Å; I509-F514 HydrophobicContact CG2-CE2 3.8Å; I509-F514 WeakPolarHBondContact O-CD2 3.47Å; I509-F514 PolarHBondContact O-N 2.77Å; F514-F520 HydrophobicContact CB-CD1 4.15Å; F514-F520 HydrophobicContact CB-CE1 4.29Å; F514-F520 HydrophobicContact CD1-CE1 4.33Å; F514-F520 HydrophobicContact CD1-CZ 4.26Å; F514-F520 HydrophobicContact CD2-CD1 4.07Å; F514-F520 AromaticContact CD2-CE1 3.38Å; F514-F520 HydrophobicContact CD2-CE1 3.38Å; F514-F520 AromaticContact CD2-CZ 3.85Å; F514-F520 HydrophobicContact CD2-CZ 3.85Å; F514-F520 HydrophobicContact CE1-CZ 4.16Å; F514-F520 AromaticContact CE2-CE1 3.68Å; F514-F520 HydrophobicContact CE2-CE1 3.68Å; F514-F520 AromaticContact CE2-CZ 3.74Å; F514-F520 HydrophobicContact CE2-CZ 3.74Å; F514-F520 HydrophobicContact CG-CD1 4.08Å; F514-F520 AromaticContact CG-CE1 3.74Å; F514-F520 HydrophobicContact CG-CE1 3.74Å; F514-F520 HydrophobicContact CG-CZ 4.12Å; F514-F520 HydrophobicContact CZ-CE1 4.29Å; F514-F520 AromaticContact CZ-CZ 3.91Å; F514-F520 HydrophobicContact CZ-CZ 3.91Å
515T91.3Very high95.1Very high28 Ų2849.1 Ų49.117%0.17228%0.275CS..THydrogen-bonded Turntrans-72.6157.5177.153.30000112.5R154 Y440 E511 E512 G513 L517R154-T515 HydrophobicContact CG-CG2 4.5Å; Y440-T515 WeakPolarHBondContact CE1-O 3.32Å; Y440-T515 PolarHBondContact OH-N 3.23Å; Y440-T515 PolarHBondContact OH-O 2.88Å; E511-T515 VanDerWaalsContact O-CG2 3.23Å; E511-T515 WeakPolarHBondContact O-CG2 3.39Å; E512-T515 WeakPolarHBondContact O-CG2 3.47Å; G513-T515 VanDerWaalsContact C-N 3.29Å; G513-T515 PolarHBondContact O-N 3.14Å; G513-T515 VanDerWaalsContact O-N 3.13Å; T515-L517 PolarHBondContact O-N 3.37Å
516E88.5Confident95.1Very high119 Ų11949.4 Ų49.456%0.55628%0.277SS*.THydrogen-bonded Turntrans61.622.4174.7-54.2177.3-174.900114.3G151G151-E516 WeakPolarHBondContact CA-OE2 3.39Å; G151-E516 PolarHBondContact N-OE2 3.4Å
517L91.7Very high95Very high14 Ų1452 Ų527%0.07329%0.294CS..  trans-128.272.5-178-168.656.7000113.3Y440 L443 T515 N519 F520Y440-L517 HydrophobicContact CD2-CD2 4.01Å; Y440-L517 HydrophobicContact CE1-CB 3.87Å; Y440-L517 HydrophobicContact CE1-CD2 4.39Å; Y440-L517 HydrophobicContact CE2-CB 4.39Å; Y440-L517 HydrophobicContact CE2-CD2 3.58Å; Y440-L517 HydrophobicContact CE2-CG 4.5Å; Y440-L517 WeakPolarHBondContact O-CD1 3.33Å; Y440-L517 WeakPolarHBondContact O-CD2 3.12Å; L443-L517 HydrophobicContact CB-CD2 4.21Å; T515-L517 PolarHBondContact O-N 3.37Å; L517-N519 PolarHBondContact O-N 2.89Å; L517-N519 VanDerWaalsContact O-N 3.15Å; L517-F520 HydrophobicContact CB-CB 4.39Å; L517-F520 HydrophobicContact CD2-CB 3.77Å; L517-F520 HydrophobicContact CD2-CD2 3.61Å; L517-F520 HydrophobicContact CD2-CE2 4.5Å; L517-F520 HydrophobicContact CD2-CG 3.89Å; L517-F520 HydrophobicContact CG-CB 3.78Å; L517-F520 HydrophobicContact CG-CG 4.45Å; L517-F520 WeakPolarHBondContact O-CB 3.02Å; L517-F520 PolarHBondContact O-N 3.36Å; L517-F520 VanDerWaalsContact O-N 3.17Å
518P83.3Confident95Very high119 Ų11947.8 Ų47.877%0.77328%0.278SS*.THydrogen-bonded Turntrans-64.8-23-172.626.2-35.4000114.2
519N89.7Confident95Very high121 Ų12149.9 Ų49.965%0.64729%0.287SS*.THydrogen-bonded Turntrans-96.110.7-178.7-61.9-36.3000113.1L517 G521L517-N519 PolarHBondContact O-N 2.89Å; L517-N519 VanDerWaalsContact O-N 3.15Å; N519-G521 PolarHBondContact O-N 2.97Å
520F95Very high95Very high10 Ų1054.6 Ų54.64%0.04431%0.309CS..SBendtrans-59.9-37.2-178.3-170-134.5000111.8L443 T444 Y445 L448 F514 L517 L522L443-F520 HydrophobicContact CD2-CE2 4.12Å; L443-F520 HydrophobicContact CG-CD2 4.35Å; L443-F520 HydrophobicContact CG-CE2 4.04Å; T444-F520 CarbonylContact C-O 3.25Å; T444-F520 WeakPolarHBondContact CA-O 3.35Å; Y445-F520 WeakPolarHBondContact CB-O 3.34Å; Y445-F520 VanDerWaalsContact N-CE2 3.35Å; Y445-F520 PolarHBondContact N-O 3.05Å; L448-F520 HydrophobicContact CD1-CE2 4.18Å; L448-F520 HydrophobicContact CD1-CZ 4Å; F514-F520 HydrophobicContact CB-CD1 4.15Å; F514-F520 HydrophobicContact CB-CE1 4.29Å; F514-F520 HydrophobicContact CD1-CE1 4.33Å; F514-F520 HydrophobicContact CD1-CZ 4.26Å; F514-F520 HydrophobicContact CD2-CD1 4.07Å; F514-F520 AromaticContact CD2-CE1 3.38Å; F514-F520 HydrophobicContact CD2-CE1 3.38Å; F514-F520 AromaticContact CD2-CZ 3.85Å; F514-F520 HydrophobicContact CD2-CZ 3.85Å; F514-F520 HydrophobicContact CE1-CZ 4.16Å; F514-F520 AromaticContact CE2-CE1 3.68Å; F514-F520 HydrophobicContact CE2-CE1 3.68Å; F514-F520 AromaticContact CE2-CZ 3.74Å; F514-F520 HydrophobicContact CE2-CZ 3.74Å; F514-F520 HydrophobicContact CG-CD1 4.08Å; F514-F520 AromaticContact CG-CE1 3.74Å; F514-F520 HydrophobicContact CG-CE1 3.74Å; F514-F520 HydrophobicContact CG-CZ 4.12Å; F514-F520 HydrophobicContact CZ-CE1 4.29Å; F514-F520 AromaticContact CZ-CZ 3.91Å; F514-F520 HydrophobicContact CZ-CZ 3.91Å; L517-F520 HydrophobicContact CB-CB 4.39Å; L517-F520 HydrophobicContact CD2-CB 3.77Å; L517-F520 HydrophobicContact CD2-CD2 3.61Å; L517-F520 HydrophobicContact CD2-CE2 4.5Å; L517-F520 HydrophobicContact CD2-CG 3.89Å; L517-F520 HydrophobicContact CG-CB 3.78Å; L517-F520 HydrophobicContact CG-CG 4.45Å; L517-F520 WeakPolarHBondContact O-CB 3.02Å; L517-F520 PolarHBondContact O-N 3.36Å; L517-F520 VanDerWaalsContact O-N 3.17Å; F520-L522 VanDerWaalsContact C-N 3.31Å; F520-L522 HydrophobicContact CD1-CB 3.46Å; F520-L522 VanDerWaalsContact CD1-CB 3.46Å; F520-L522 HydrophobicContact CD1-CD2 4.35Å; F520-L522 HydrophobicContact CE1-CB 3.54Å; F520-L522 HydrophobicContact CE1-CD2 3.74Å; F520-L522 HydrophobicContact CE1-CG 4.29Å; F520-L522 HydrophobicContact CG-CB 4.49Å; F520-L522 PolarHBondContact O-N 2.87Å
521G94.8Very high95.1Very high66 Ų6657.4 Ų57.468%0.6832%0.318SS*.  trans76.712.9176.500000114.9N519N519-G521 PolarHBondContact O-N 2.97Å
522L96.3Very high95.3Very high29 Ų2953.6 Ų53.615%0.15230%0.3CS..  trans-86.3128.6166.2-177.260.9000109.6Y445 I506 I509 F520 L535Y445-L522 HydrophobicContact CD1-CD1 3.99Å; Y445-L522 HydrophobicContact CD2-CD1 3.95Å; Y445-L522 HydrophobicContact CE1-CD1 3.95Å; Y445-L522 HydrophobicContact CE2-CD1 3.92Å; Y445-L522 HydrophobicContact CG-CB 4.12Å; Y445-L522 HydrophobicContact CG-CD1 3.98Å; I506-L522 HydrophobicContact CD1-CD1 4.07Å; I506-L522 HydrophobicContact CD1-CD2 3.86Å; I506-L522 HydrophobicContact CD1-CG 3.96Å; I509-L522 HydrophobicContact CG2-CD2 3.67Å; F520-L522 VanDerWaalsContact C-N 3.31Å; F520-L522 HydrophobicContact CD1-CB 3.46Å; F520-L522 VanDerWaalsContact CD1-CB 3.46Å; F520-L522 HydrophobicContact CD1-CD2 4.35Å; F520-L522 HydrophobicContact CE1-CB 3.54Å; F520-L522 HydrophobicContact CE1-CD2 3.74Å; F520-L522 HydrophobicContact CE1-CG 4.29Å; F520-L522 HydrophobicContact CG-CB 4.49Å; F520-L522 PolarHBondContact O-N 2.87Å; L522-L535 HydrophobicContact CD1-CD1 3.83Å; L522-L535 HydrophobicContact CD2-CD1 4.18Å
523S95.7Very high95.4Very high63 Ų6350 Ų5044%0.44128%0.284SS..  trans-67.6144.7171.5177.70000110.7I506 K525I506-S523 VanDerWaalsContact CD1-O 3.29Å; I506-S523 WeakPolarHBondContact CD1-O 3.29Å; I506-S523 WeakPolarHBondContact CG1-O 3.46Å; S523-K525 WeakPolarHBondContact CB-O 3.24Å; S523-K525 PolarHBondContact O-N 3.47Å; S523-K525 PolarHBondContact OG-N 2.68Å; S523-K525 VanDerWaalsContact OG-N 3.1Å; S523-K525 PolarHBondContact OG-O 3.3Å
524N96.2Very high95.5Very high79 Ų7951 Ų5142%0.42229%0.29SS..SBendtrans-85.67.9170.667.6-7.8000113.2A510 E511A510-N524 HydrophobicContact CB-CB 3.84Å; E511-N524 HydrophobicContact CG-CB 4.28Å; E511-N524 PolarHBondContact OE1-ND2 2.79Å
525K97.9Very high95.6Very high82 Ų8250.6 Ų50.636%0.35729%0.288SS..SBendtrans-136.6138.3177.8-170.5-173.7175.3-168.20109.7E497 Q503 S523E497-K525 IonicContact OE1-NZ 3.81Å; E497-K525 PolarHBondContact OE1-NZ 2.97Å; Q503-K525 VanDerWaalsContact OE1-CG 3.27Å; S523-K525 WeakPolarHBondContact CB-O 3.24Å; S523-K525 PolarHBondContact O-N 3.47Å; S523-K525 PolarHBondContact OG-N 2.68Å; S523-K525 VanDerWaalsContact OG-N 3.1Å; S523-K525 PolarHBondContact OG-O 3.3Å
526L98.1Very high95.9Very high6 Ų649.3 Ų49.33%0.03128%0.28CS..  trans-101.8127.8171.6-68.1168.3000109.7V496 Q503 W505 I506 E531 L532 L535V496-L526 HydrophobicContact CG1-CB 3.9Å; Q503-L526 PolarHBondContact NE2-O 3.19Å; Q503-L526 VanDerWaalsContact OE1-N 3.09Å; W505-L526 HydrophobicContact CE3-CD1 4.42Å; W505-L526 HydrophobicContact CZ3-CD1 4.32Å; I506-L526 HydrophobicContact CB-CD1 4.01Å; I506-L526 HydrophobicContact CB-CG 3.99Å; I506-L526 HydrophobicContact CG1-CD2 4.48Å; I506-L526 HydrophobicContact CG1-CG 4.05Å; I506-L526 HydrophobicContact CG2-CD1 4.2Å; I506-L526 HydrophobicContact CG2-CG 4Å; L526-E531 HydrophobicContact CD2-CB 3.91Å; L526-L532 HydrophobicContact CD1-CB 4.48Å; L526-L532 HydrophobicContact CD1-CD1 3.88Å; L526-L535 HydrophobicContact CD2-CD2 4.26Å
527C97.9Very high96.4Very high53 Ų5343.6 Ų43.636%0.35825%0.254SS..  trans-118.3-9.9-175.4-65.10000113.2E531C527-E531 WeakPolarHBondContact CA-OE2 3.26Å; C527-E531 PolarHBondContact N-OE2 3.3Å
528S98.8Very high96.8Very high21 Ų2143 Ų4315%0.14725%0.25CS..SBendtrans-147.6161.8-179.267.70000113.5D493 E530 E531 L532D493-S528 WeakPolarHBondContact OD1-CA 3.32Å; D493-S528 WeakPolarHBondContact OD1-CB 3.43Å; S528-E530 VanDerWaalsContact C-N 3.26Å; S528-E530 PolarHBondContact O-N 2.98Å; S528-E531 PolarHBondContact N-OE2 3.2Å; S528-E531 PolarHBondContact O-N 3.38Å; S528-E531 VanDerWaalsContact OG-CG 3.31Å; S528-E531 WeakPolarHBondContact OG-CG 3.45Å; S528-E531 PolarHBondContact OG-N 2.91Å; S528-E531 VanDerWaalsContact OG-N 3.16Å; S528-L532 PolarHBondContact O-N 3.11Å
529K98.8Very high97.5Very high52 Ų5237.4 Ų37.423%0.22621%0.214CC..Hα-helixtrans-62.7-34.3172.2-63.7-173.7-56.5-179.80112.1V486 Y490 H491 D493 V496 L532 S533V486-K529 HydrophobicContact CG1-CB 4Å; V486-K529 HydrophobicContact CG1-CG 4.21Å; Y490-K529 WeakPolarHBondContact O-CD 3.41Å; H491-K529 PolarHBondContact O-NZ 2.69Å; D493-K529 PolarHBondContact OD1-N 3.47Å; V496-K529 HydrophobicContact CG2-CG 3.88Å; K529-L532 PolarHBondContact O-N 2.89Å; K529-S533 VanDerWaalsContact O-CB 3.29Å; K529-S533 WeakPolarHBondContact O-CB 3.32Å; K529-S533 PolarHBondContact O-N 3.35Å; K529-S533 PolarHBondContact O-OG 2.82Å
530E98.7Very high98Very high99 Ų9931.7 Ų31.746%0.46318%0.184SC..Hα-helixtrans-67.9-42.6178.9-176.954.5-139.300111.7H479 S528 S533 T534H479-E530 IonicContact CE1-OE1 3.71Å; H479-E530 PolarHBondContact CE1-OE1 3.36Å; H479-E530 IonicContact CE1-OE2 3.91Å; H479-E530 IonicContact NE2-OE1 2.72Å; H479-E530 PolarHBondContact NE2-OE1 3.42Å; H479-E530 IonicContact NE2-OE2 3.87Å; S528-E530 VanDerWaalsContact C-N 3.26Å; S528-E530 PolarHBondContact O-N 2.98Å; E530-S533 PolarHBondContact O-N 3.34Å; E530-T534 WeakPolarHBondContact O-CB 3.33Å; E530-T534 PolarHBondContact O-N 3.21Å; E530-T534 PolarHBondContact O-OG1 3.09Å; E530-T534 PolarHBondContact OE1-OG1 2.98Å
531E98.6Very high98.1Very high80 Ų8031.3 Ų31.337%0.37418%0.182SC..Hα-helixtrans-61.8-44.5175.1-74.6171.5174.100111.5L526 C527 S528 L535L526-E531 HydrophobicContact CD2-CB 3.91Å; C527-E531 WeakPolarHBondContact CA-OE2 3.26Å; C527-E531 PolarHBondContact N-OE2 3.3Å; S528-E531 PolarHBondContact N-OE2 3.2Å; S528-E531 PolarHBondContact O-N 3.38Å; S528-E531 VanDerWaalsContact OG-CG 3.31Å; S528-E531 WeakPolarHBondContact OG-CG 3.45Å; S528-E531 PolarHBondContact OG-N 2.91Å; S528-E531 VanDerWaalsContact OG-N 3.16Å; E531-L535 WeakPolarHBondContact O-CB 3.29Å; E531-L535 PolarHBondContact O-N 2.72Å
532L98.9Very high98.3Very high0 Ų028.3 Ų28.30%015%0.15CC..Hα-helixtrans-62.4-47.8175.9176.361.1000111.2M392 V486 Y490 V496 L502 W505 L526 S528 K529 T534 L535 L536M392-L532 HydrophobicContact SD-CD2 4.36Å; V486-L532 HydrophobicContact CG1-CD2 3.96Å; V486-L532 HydrophobicContact CG1-CG 4.5Å; V486-L532 HydrophobicContact CG2-CD2 4.04Å; V486-L532 HydrophobicContact CG2-CG 4.08Å; Y490-L532 HydrophobicContact CD2-CD2 4.14Å; Y490-L532 HydrophobicContact CE2-CD2 4.07Å; V496-L532 HydrophobicContact CG1-CB 4.24Å; V496-L532 HydrophobicContact CG1-CD2 4.25Å; V496-L532 HydrophobicContact CG2-CD2 4.01Å; L502-L532 HydrophobicContact CD1-CD1 4.34Å; L502-L532 HydrophobicContact CD1-CD2 3.74Å; L502-L532 HydrophobicContact CD2-CD1 4.24Å; W505-L532 HydrophobicContact CZ3-CD1 4.2Å; L526-L532 HydrophobicContact CD1-CB 4.48Å; L526-L532 HydrophobicContact CD1-CD1 3.88Å; S528-L532 PolarHBondContact O-N 3.11Å; K529-L532 PolarHBondContact O-N 2.89Å; L532-T534 PolarHBondContact O-N 3.3Å; L532-L535 PolarHBondContact O-N 2.96Å; L532-L536 HydrophobicContact CD1-CD1 3.67Å; L532-L536 HydrophobicContact CD1-CG 4.02Å; L532-L536 HydrophobicContact CG-CD1 3.73Å; L532-L536 HydrophobicContact CG-CG 4.49Å; L532-L536 WeakPolarHBondContact O-CB 3.34Å; L532-L536 WeakPolarHBondContact O-CD1 3.46Å; L532-L536 VanDerWaalsContact O-CG 3.25Å; L532-L536 WeakPolarHBondContact O-CG 3.32Å; L532-L536 PolarHBondContact O-N 3.45Å
533S98.9Very high98.4Very high3 Ų327 Ų272%0.02114%0.143CC..Hα-helixtrans-63.3-43-178.7-560000111.5V482 S483 K529 E530 T537V482-S533 WeakPolarHBondContact CG1-O 3.28Å; S483-S533 WeakPolarHBondContact OG-CB 3.28Å; K529-S533 VanDerWaalsContact O-CB 3.29Å; K529-S533 WeakPolarHBondContact O-CB 3.32Å; K529-S533 PolarHBondContact O-N 3.35Å; K529-S533 PolarHBondContact O-OG 2.82Å; E530-S533 PolarHBondContact O-N 3.34Å; S533-T537 VanDerWaalsContact O-CB 3.31Å; S533-T537 WeakPolarHBondContact O-CB 3.39Å; S533-T537 PolarHBondContact O-N 3.45Å; S533-T537 PolarHBondContact O-OG1 3.32Å
534T98.9Very high98.6Very high19 Ų1924 Ų2412%0.11712%0.123CC..Hα-helixtrans-63-44.6175.9-61.70000111.5Y445 E530 L532 T537 V538Y445-T534 WeakPolarHBondContact OH-CG2 3.47Å; E530-T534 WeakPolarHBondContact O-CB 3.33Å; E530-T534 PolarHBondContact O-N 3.21Å; E530-T534 PolarHBondContact O-OG1 3.09Å; E530-T534 PolarHBondContact OE1-OG1 2.98Å; L532-T534 PolarHBondContact O-N 3.3Å; T534-T537 WeakPolarHBondContact O-CB 3.25Å; T534-T537 PolarHBondContact O-N 3.04Å; T534-V538 WeakPolarHBondContact O-CG2 3.4Å; T534-V538 PolarHBondContact O-N 2.96Å
535L98.9Very high98.7Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-65.5-42-178.8-178.362.5000112.5F378 Y445 W505 I506 L522 L526 E531 L532 T537 V538 A539F378-L535 HydrophobicContact CE1-CD1 3.64Å; F378-L535 HydrophobicContact CE1-CG 4.09Å; F378-L535 HydrophobicContact CZ-CD1 3.86Å; Y445-L535 HydrophobicContact CD2-CD1 4.5Å; Y445-L535 HydrophobicContact CE2-CD1 3.63Å; Y445-L535 WeakPolarHBondContact OH-CA 3.41Å; Y445-L535 PolarHBondContact OH-N 3.47Å; W505-L535 HydrophobicContact CE3-CD2 4.46Å; W505-L535 HydrophobicContact CH2-CD2 3.77Å; W505-L535 HydrophobicContact CH2-CG 4.02Å; W505-L535 HydrophobicContact CZ3-CD2 3.53Å; W505-L535 HydrophobicContact CZ3-CG 4.24Å; I506-L535 HydrophobicContact CD1-CD2 3.5Å; I506-L535 VanDerWaalsContact CD1-CD2 3.5Å; I506-L535 HydrophobicContact CG1-CD2 4.47Å; L522-L535 HydrophobicContact CD1-CD1 3.83Å; L522-L535 HydrophobicContact CD2-CD1 4.18Å; L526-L535 HydrophobicContact CD2-CD2 4.26Å; E531-L535 WeakPolarHBondContact O-CB 3.29Å; E531-L535 PolarHBondContact O-N 2.72Å; L532-L535 PolarHBondContact O-N 2.96Å; L535-T537 VanDerWaalsContact C-N 3.33Å; L535-V538 WeakPolarHBondContact O-CB 3.49Å; L535-V538 PolarHBondContact O-N 3.49Å; L535-A539 PolarHBondContact O-N 3.03Å; L535-A539 VanDerWaalsContact O-N 3.08Å
536L98.9Very high98.7Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-64.8-39.1174-69.2164.4000111.5M392 L395 L396 V482 V486 W505 L532 V538 A539 I540M392-L536 HydrophobicContact CG-CD1 4.35Å; M392-L536 HydrophobicContact SD-CD1 3.25Å; M392-L536 WeakPolarHBondContact SD-CD1 3.39Å; M392-L536 HydrophobicContact SD-CD2 4.34Å; M392-L536 HydrophobicContact SD-CG 4.41Å; L395-L536 HydrophobicContact CD2-CD1 4.18Å; L396-L536 HydrophobicContact CD1-CD2 3.7Å; L396-L536 HydrophobicContact CD2-CD2 3.85Å; L396-L536 HydrophobicContact CG-CD2 3.82Å; V482-L536 HydrophobicContact CG1-CB 3.58Å; V482-L536 HydrophobicContact CG1-CD1 3.96Å; V482-L536 HydrophobicContact CG1-CG 4.46Å; V486-L536 HydrophobicContact CG2-CD1 3.75Å; W505-L536 HydrophobicContact CH2-CD2 3.88Å; W505-L536 HydrophobicContact CH2-CG 4.46Å; W505-L536 HydrophobicContact CZ2-CD2 4.41Å; L532-L536 HydrophobicContact CD1-CD1 3.67Å; L532-L536 HydrophobicContact CD1-CG 4.02Å; L532-L536 HydrophobicContact CG-CD1 3.73Å; L532-L536 HydrophobicContact CG-CG 4.49Å; L532-L536 WeakPolarHBondContact O-CB 3.34Å; L532-L536 WeakPolarHBondContact O-CD1 3.46Å; L532-L536 VanDerWaalsContact O-CG 3.25Å; L532-L536 WeakPolarHBondContact O-CG 3.32Å; L532-L536 PolarHBondContact O-N 3.45Å; L536-V538 VanDerWaalsContact C-N 3.33Å; L536-V538 PolarHBondContact O-N 2.85Å; L536-A539 PolarHBondContact O-N 2.89Å; L536-I540 WeakPolarHBondContact O-CG1 3.36Å; L536-I540 PolarHBondContact O-N 3.37Å
537T98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.087CC..Hα-helixtrans-61.5-42173.6-57.50000110.9W475 I478 H479 S533 T534 L535 A539 I540 F541W475-T537 HydrophobicContact CD2-CG2 3.77Å; W475-T537 HydrophobicContact CE3-CG2 3.74Å; W475-T537 HydrophobicContact CH2-CG2 3.66Å; W475-T537 HydrophobicContact CZ2-CG2 3.68Å; W475-T537 HydrophobicContact CZ3-CG2 3.71Å; I478-T537 HydrophobicContact CB-CG2 4.37Å; I478-T537 HydrophobicContact CG2-CG2 3.93Å; H479-T537 WeakPolarHBondContact CA-OG1 3.44Å; H479-T537 HydrophobicContact CB-CG2 3.84Å; S533-T537 VanDerWaalsContact O-CB 3.31Å; S533-T537 WeakPolarHBondContact O-CB 3.39Å; S533-T537 PolarHBondContact O-N 3.45Å; S533-T537 PolarHBondContact O-OG1 3.32Å; T534-T537 WeakPolarHBondContact O-CB 3.25Å; T534-T537 PolarHBondContact O-N 3.04Å; L535-T537 VanDerWaalsContact C-N 3.33Å; T537-A539 PolarHBondContact O-N 2.95Å; T537-I540 PolarHBondContact O-N 3.38Å; T537-F541 WeakPolarHBondContact O-CB 3.45Å; T537-F541 PolarHBondContact O-N 2.92Å
538V98.9Very high98.8Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-56.9-49.2172.8167.40000110.6F378 Y445 L448 Q449 W475 T534 L535 L536 T542F378-V538 HydrophobicContact CE2-CG1 4.45Å; F378-V538 HydrophobicContact CZ-CG1 4.26Å; Y445-V538 HydrophobicContact CD2-CG2 4.49Å; Y445-V538 HydrophobicContact CE2-CB 4.24Å; Y445-V538 HydrophobicContact CE2-CG1 4.36Å; Y445-V538 HydrophobicContact CE2-CG2 3.7Å; L448-V538 HydrophobicContact CB-CG1 3.79Å; L448-V538 HydrophobicContact CB-CG2 4.49Å; L448-V538 HydrophobicContact CD1-CG1 3.95Å; Q449-V538 HydrophobicContact CG-CG2 3.78Å; W475-V538 HydrophobicContact CH2-CG2 3.65Å; W475-V538 HydrophobicContact CZ3-CG2 4.23Å; T534-V538 WeakPolarHBondContact O-CG2 3.4Å; T534-V538 PolarHBondContact O-N 2.96Å; L535-V538 WeakPolarHBondContact O-CB 3.49Å; L535-V538 PolarHBondContact O-N 3.49Å; L536-V538 VanDerWaalsContact C-N 3.33Å; L536-V538 PolarHBondContact O-N 2.85Å; V538-T542 WeakPolarHBondContact O-CB 3.37Å; V538-T542 PolarHBondContact O-N 2.78Å; V538-T542 PolarHBondContact O-OG1 3.44Å
539A98.9Very high98.7Very high2 Ų213.3 Ų13.32%0.0176%0.064CC..Hα-helixtrans-60.3-50.1-179.600000111.9F378 L396 L535 L536 T537 T542 S543F378-A539 HydrophobicContact CB-CB 4.31Å; F378-A539 HydrophobicContact CD1-CB 3.83Å; F378-A539 HydrophobicContact CD2-CB 4.17Å; F378-A539 HydrophobicContact CE1-CB 4.14Å; F378-A539 HydrophobicContact CE2-CB 4.48Å; F378-A539 HydrophobicContact CG-CB 3.85Å; F378-A539 HydrophobicContact CZ-CB 4.46Å; L396-A539 HydrophobicContact CD2-CB 4.08Å; L535-A539 PolarHBondContact O-N 3.03Å; L535-A539 VanDerWaalsContact O-N 3.08Å; L536-A539 PolarHBondContact O-N 2.89Å; T537-A539 PolarHBondContact O-N 2.95Å; A539-T542 PolarHBondContact O-N 3.12Å; A539-S543 WeakPolarHBondContact O-CB 3.44Å; A539-S543 PolarHBondContact O-N 2.67Å; A539-S543 PolarHBondContact O-OG 2.94Å
540I98.9Very high98.6Very high1 Ų111 Ų111%0.0055%0.054CC..Hα-helixtrans-68.8-47.4-177.3-64.9171.6000111.1L395 L396 H399 I478 V482 L536 T537 T542 S543 T544L395-I540 HydrophobicContact CD1-CD1 4.47Å; L395-I540 HydrophobicContact CG-CD1 4.25Å; L396-I540 HydrophobicContact CD2-CD1 4.39Å; L396-I540 HydrophobicContact CD2-CG1 4.02Å; H399-I540 HydrophobicContact CB-CG1 4.27Å; I478-I540 HydrophobicContact CD1-CG2 4.37Å; I478-I540 HydrophobicContact CG2-CB 3.97Å; I478-I540 HydrophobicContact CG2-CG2 3.68Å; V482-I540 HydrophobicContact CG2-CD1 3.68Å; L536-I540 WeakPolarHBondContact O-CG1 3.36Å; L536-I540 PolarHBondContact O-N 3.37Å; T537-I540 PolarHBondContact O-N 3.38Å; I540-T542 VanDerWaalsContact C-N 3.29Å; I540-T542 PolarHBondContact O-N 3.01Å; I540-S543 PolarHBondContact O-N 3.16Å; I540-S543 PolarHBondContact O-OG 3.28Å; I540-T544 HydrophobicContact CG2-CG2 4.28Å; I540-T544 VanDerWaalsContact O-CB 3.28Å; I540-T544 WeakPolarHBondContact O-CB 3.28Å; I540-T544 WeakPolarHBondContact O-CG2 3.46Å; I540-T544 PolarHBondContact O-N 3.47Å; I540-T544 PolarHBondContact O-OG1 3.07Å
541F98.9Very high98.5Very high2 Ų26.3 Ų6.31%0.0093%0.032CC..Hα-helixtrans-61.7-40178.2-178.9-90.2000111.4P450 S471 L474 W475 I478 T537 T544 A545 Q546P450-F541 HydrophobicContact CG-CD1 3.96Å; P450-F541 HydrophobicContact CG-CE1 3.41Å; P450-F541 VanDerWaalsContact CG-CE1 3.41Å; P450-F541 HydrophobicContact CG-CE2 4.13Å; P450-F541 HydrophobicContact CG-CZ 3.52Å; S471-F541 WeakPolarHBondContact O-CE2 3.25Å; L474-F541 HydrophobicContact CB-CE2 4.31Å; W475-F541 HydrophobicContact CB-CD2 4.13Å; W475-F541 HydrophobicContact CB-CE2 4.13Å; W475-F541 HydrophobicContact CE3-CB 3.71Å; W475-F541 AromaticContact CE3-CD1 3.97Å; W475-F541 HydrophobicContact CE3-CD1 3.97Å; W475-F541 AromaticContact CE3-CD2 3.85Å; W475-F541 HydrophobicContact CE3-CD2 3.85Å; W475-F541 AromaticContact CE3-CG 3.56Å; W475-F541 HydrophobicContact CE3-CG 3.56Å; W475-F541 HydrophobicContact CZ3-CB 3.84Å; W475-F541 HydrophobicContact CZ3-CD1 4.24Å; W475-F541 HydrophobicContact CZ3-CG 4.03Å; I478-F541 HydrophobicContact CD1-CB 4.3Å; I478-F541 HydrophobicContact CD1-CD2 4.09Å; T537-F541 WeakPolarHBondContact O-CB 3.45Å; T537-F541 PolarHBondContact O-N 2.92Å; F541-T544 PolarHBondContact O-N 2.97Å; F541-A545 HydrophobicContact CD2-CB 3.82Å; F541-A545 HydrophobicContact CE2-CB 3.57Å; F541-A545 HydrophobicContact CG-CB 4.46Å; F541-A545 HydrophobicContact CZ-CB 4.01Å; F541-A545 PolarHBondContact O-N 2.99Å; F541-A545 VanDerWaalsContact O-N 3.14Å; F541-Q546 HydrophobicContact CD1-CB 4.04Å; F541-Q546 HydrophobicContact CE1-CB 3.81Å; F541-Q546 PolarHBondContact O-N 3.22Å
542T98.9Very high98.3Very high3 Ų34.2 Ų4.22%0.0182%0.024CC..Iπ-helixtrans-67.4-42.1-179.6-55.40000111.6R370 T371 V374 V375 V538 A539 I540 T544 H547R370-T542 WeakPolarHBondContact O-CG2 3.48Å; T371-T542 HydrophobicContact CG2-CG2 4.4Å; V374-T542 HydrophobicContact CG1-CG2 4.15Å; V375-T542 HydrophobicContact CG2-CG2 3.66Å; V538-T542 WeakPolarHBondContact O-CB 3.37Å; V538-T542 PolarHBondContact O-N 2.78Å; V538-T542 PolarHBondContact O-OG1 3.44Å; A539-T542 PolarHBondContact O-N 3.12Å; I540-T542 VanDerWaalsContact C-N 3.29Å; I540-T542 PolarHBondContact O-N 3.01Å; T542-T544 VanDerWaalsContact C-N 3.28Å; T542-T544 PolarHBondContact O-N 3.16Å; T542-H547 PolarHBondContact O-N 2.8Å
543S98.8Very high98.1Very high1 Ų14.3 Ų4.31%0.0073%0.025CC..Iπ-helixtrans-75.8-15.1179.470.70000114.3H399 A539 I540 S667H399-S543 WeakPolarHBondContact O-CB 3.3Å; H399-S543 PolarHBondContact O-OG 3.12Å; H399-S543 VanDerWaalsContact O-OG 3.1Å; A539-S543 WeakPolarHBondContact O-CB 3.44Å; A539-S543 PolarHBondContact O-N 2.67Å; A539-S543 PolarHBondContact O-OG 2.94Å; I540-S543 PolarHBondContact O-N 3.16Å; I540-S543 PolarHBondContact O-OG 3.28Å; S543-S667 CarbonylContact O-C 3.55Å; S543-S667 VanDerWaalsContact O-C 3.28Å; S543-S667 WeakPolarHBondContact O-CA 3.38Å
544T98.8Very high97.9Very high1 Ų14.2 Ų4.21%0.0062%0.024CC..Iπ-helixtrans-112.1-94.5-176.861.50000111I540 F541 T542 Q546 H547 A548 L614 I664 E665 N666I540-T544 HydrophobicContact CG2-CG2 4.28Å; I540-T544 VanDerWaalsContact O-CB 3.28Å; I540-T544 WeakPolarHBondContact O-CB 3.28Å; I540-T544 WeakPolarHBondContact O-CG2 3.46Å; I540-T544 PolarHBondContact O-N 3.47Å; I540-T544 PolarHBondContact O-OG1 3.07Å; F541-T544 PolarHBondContact O-N 2.97Å; T542-T544 VanDerWaalsContact C-N 3.28Å; T542-T544 PolarHBondContact O-N 3.16Å; T544-Q546 PolarHBondContact O-N 3.36Å; T544-H547 PolarHBondContact O-N 3.28Å; T544-A548 WeakPolarHBondContact O-CB 3.36Å; T544-A548 PolarHBondContact O-N 3.14Å; T544-L614 HydrophobicContact CG2-CD1 3.68Å; T544-I664 VanDerWaalsContact C-CG2 3.47Å; T544-E665 WeakPolarHBondContact CG2-O 3.45Å; T544-N666 WeakPolarHBondContact CG2-O 3.34Å
545A98.6Very high97.7Very high0 Ų03.8 Ų3.80%02%0.021CC..Iπ-helixtrans-60.4-45.3-171.500000112.5L474 F541 A548 A549 L659 I664L474-A545 HydrophobicContact CB-CB 4.41Å; L474-A545 HydrophobicContact CD1-CB 3.89Å; F541-A545 HydrophobicContact CD2-CB 3.82Å; F541-A545 HydrophobicContact CE2-CB 3.57Å; F541-A545 HydrophobicContact CG-CB 4.46Å; F541-A545 HydrophobicContact CZ-CB 4.01Å; F541-A545 PolarHBondContact O-N 2.99Å; F541-A545 VanDerWaalsContact O-N 3.14Å; A545-A548 PolarHBondContact O-N 3.49Å; A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 3.47Å; A545-L659 HydrophobicContact CB-CD2 4.1Å; A545-L659 VanDerWaalsContact O-CD2 3.26Å; A545-L659 WeakPolarHBondContact O-CD2 3.15Å; A545-I664 HydrophobicContact CB-CD1 4.39Å
546Q98.6Very high97.5Very high6 Ų65.2 Ų5.23%0.0283%0.028CC..Iπ-helixtrans-64.5-47-179.8-175.556.440.900111.4T371 Y467 F541 T544 A549 T550T371-Q546 HydrophobicContact CG2-CB 4.48Å; T371-Q546 HydrophobicContact CG2-CG 3.81Å; Y467-Q546 PolarHBondContact OH-NE2 3.06Å; Y467-Q546 PolarHBondContact OH-OE1 2.97Å; F541-Q546 HydrophobicContact CD1-CB 4.04Å; F541-Q546 HydrophobicContact CE1-CB 3.81Å; F541-Q546 PolarHBondContact O-N 3.22Å; T544-Q546 PolarHBondContact O-N 3.36Å; Q546-A549 PolarHBondContact O-N 2.89Å; Q546-T550 PolarHBondContact O-N 3.38Å; Q546-T550 PolarHBondContact O-OG1 3.18Å
547H98.7Very high97.3Very high7 Ų75.5 Ų5.53%0.0323%0.03CC..Hα-helixtrans-58.4-50.2175.9174.8-116.6000110.9H367 T371 H372 T542 T544 A549 T550 N551 I668H367-H547 AromaticContact CD2-CD2 3.99Å; H367-H547 AromaticContact NE2-CD2 3.77Å; H367-H547 AromaticContact NE2-NE2 3.6Å; T371-H547 HydrophobicContact CG2-CB 4.4Å; H372-H547 AromaticContact NE2-CD2 3.94Å; H372-H547 AromaticContact NE2-NE2 3.68Å; T542-H547 PolarHBondContact O-N 2.8Å; T544-H547 PolarHBondContact O-N 3.28Å; H547-A549 VanDerWaalsContact C-N 3.34Å; H547-A549 PolarHBondContact O-N 3.37Å; H547-T550 CarbonylContact O-C 3.4Å; H547-T550 PolarHBondContact O-N 3.49Å; H547-T550 PolarHBondContact O-OG1 3.26Å; H547-N551 WeakPolarHBondContact O-CB 3.26Å; H547-N551 PolarHBondContact O-N 3.19Å; H547-I668 HydrophobicContact CB-CD1 4.24Å; H547-I668 HydrophobicContact CB-CG1 3.99Å
548A98.3Very high97.2Very high1 Ų15.5 Ų5.51%0.0083%0.03CC..Hα-helixtrans-55.9-45.2177.600000112.6T544 A545 T550 N551 N552 V658 I664T544-A548 WeakPolarHBondContact O-CB 3.36Å; T544-A548 PolarHBondContact O-N 3.14Å; A545-A548 PolarHBondContact O-N 3.49Å; A548-T550 PolarHBondContact O-N 3.02Å; A548-N551 PolarHBondContact O-N 2.94Å; A548-N552 PolarHBondContact O-N 3.3Å; A548-V658 WeakPolarHBondContact O-CG1 3.27Å; A548-I664 HydrophobicContact CB-CB 4.34Å; A548-I664 HydrophobicContact CB-CG1 3.92Å; A548-I664 HydrophobicContact CB-CG2 4.15Å
549A97.6Very high96.9Very high2 Ų25.5 Ų5.52%0.0173%0.03CC..Hα-helixtrans-58.9-32.5177.200000113.4Y467 A545 Q546 H547 L659Y467-A549 HydrophobicContact CD2-CB 3.88Å; Y467-A549 HydrophobicContact CE2-CB 3.53Å; A545-A549 WeakPolarHBondContact O-CB 3.45Å; A545-A549 PolarHBondContact O-N 3.47Å; Q546-A549 PolarHBondContact O-N 2.89Å; H547-A549 VanDerWaalsContact C-N 3.34Å; H547-A549 PolarHBondContact O-N 3.37Å; A549-L659 HydrophobicContact CB-CD1 4.44Å; A549-L659 HydrophobicContact CB-CD2 4.01Å; A549-L659 HydrophobicContact CB-CG 4.32Å
550T95.6Very high96.7Very high3 Ų35.6 Ų5.62%0.0183%0.029CC..Hα-helixtrans-102.71.5-179.955.20000114.1F362 Q546 H547 A548F362-T550 WeakPolarHBondContact CE2-O 3.41Å; F362-T550 WeakPolarHBondContact CZ-O 3.31Å; Q546-T550 PolarHBondContact O-N 3.38Å; Q546-T550 PolarHBondContact O-OG1 3.18Å; H547-T550 CarbonylContact O-C 3.4Å; H547-T550 PolarHBondContact O-N 3.49Å; H547-T550 PolarHBondContact O-OG1 3.26Å; A548-T550 PolarHBondContact O-N 3.02Å
551N97.3Very high96.5Very high1 Ų15.5 Ų5.51%0.0053%0.029CC..Hα-helixtrans-121.4-53.4-176.1-177.262.6000112.7H367 H547 A548 G553 Q554 L604 G605 I670H367-N551 PolarHBondContact NE2-OD1 3.37Å; H547-N551 WeakPolarHBondContact O-CB 3.26Å; H547-N551 PolarHBondContact O-N 3.19Å; A548-N551 PolarHBondContact O-N 2.94Å; N551-G553 PolarHBondContact O-N 3.21Å; N551-Q554 VanDerWaalsContact O-CB 3.24Å; N551-Q554 WeakPolarHBondContact O-CB 3.4Å; N551-Q554 WeakPolarHBondContact O-CG 3.26Å; N551-Q554 PolarHBondContact O-N 3.45Å; N551-Q554 PolarHBondContact OD1-NE2 3.34Å; N551-L604 PolarHBondContact ND2-O 2.9Å; N551-L604 PolarHBondContact OD1-O 3.05Å; N551-G605 WeakPolarHBondContact O-CA 3.45Å; N551-I670 WeakPolarHBondContact ND2-CG2 3.24Å
552N94.6Very high96.4Very high36 Ų365.5 Ų5.519%0.1933%0.029CC..THydrogen-bonded Turntrans-67.3-28.5-166.6-62.71.8000112.4A548 Q554 V658 R663A548-N552 PolarHBondContact O-N 3.3Å; N552-Q554 VanDerWaalsContact C-N 3.3Å; N552-Q554 PolarHBondContact O-N 3.21Å; N552-V658 HydrophobicContact CB-CG1 4.21Å; N552-R663 PolarHBondContact ND2-O 2.85Å
553G93.5Very high96.3Very high2 Ų25.6 Ų5.62%0.0213%0.029CC..THydrogen-bonded Turntrans-83.35.9175.200000114.7S241 N551 F555 D556 W557S241-G553 PolarHBondContact OG-O 3.08Å; N551-G553 PolarHBondContact O-N 3.21Å; G553-F555 PolarHBondContact O-N 3.31Å; G553-D556 WeakPolarHBondContact O-CB 3.31Å; G553-D556 PolarHBondContact O-N 2.85Å; G553-W557 PolarHBondContact O-N 3.33Å
554Q95.1Very high96.1Very high1 Ų15.6 Ų5.61%0.0053%0.03CC..Hα-helixtrans-57.6-50.3-176.2-84.4-167.978.200112.4F362 H367 N551 N552 C558 L604F362-Q554 HydrophobicContact CE1-CG 3.83Å; F362-Q554 HydrophobicContact CZ-CG 3.54Å; H367-Q554 PolarHBondContact CE1-NE2 3.03Å; N551-Q554 VanDerWaalsContact O-CB 3.24Å; N551-Q554 WeakPolarHBondContact O-CB 3.4Å; N551-Q554 WeakPolarHBondContact O-CG 3.26Å; N551-Q554 PolarHBondContact O-N 3.45Å; N551-Q554 PolarHBondContact OD1-NE2 3.34Å; N552-Q554 VanDerWaalsContact C-N 3.3Å; N552-Q554 PolarHBondContact O-N 3.21Å; Q554-C558 WeakPolarHBondContact O-CB 3.49Å; Q554-C558 PolarHBondContact O-N 3.29Å; Q554-C558 PolarHBondContact O-SG 2.83Å; Q554-L604 VanDerWaalsContact NE2-CB 3.29Å
555F94.8Very high96.1Very high11 Ų115.6 Ų5.65%0.0483%0.029CC..Hα-helixtrans-64.8-43.5179.3-172.5-110.9000111.5L215 G553 W557 A559 M598 T601 W602L215-F555 HydrophobicContact CB-CE1 4.36Å; L215-F555 HydrophobicContact CB-CE2 4.15Å; L215-F555 HydrophobicContact CB-CZ 3.56Å; G553-F555 PolarHBondContact O-N 3.31Å; F555-W557 VanDerWaalsContact C-N 3.32Å; F555-W557 PolarHBondContact O-N 3.44Å; F555-A559 HydrophobicContact CD2-CB 3.89Å; F555-A559 HydrophobicContact CE1-CB 4.37Å; F555-A559 HydrophobicContact CE2-CB 3.71Å; F555-A559 HydrophobicContact CG-CB 4.33Å; F555-A559 HydrophobicContact CZ-CB 3.95Å; F555-A559 WeakPolarHBondContact O-CB 3.13Å; F555-A559 PolarHBondContact O-N 3.11Å; F555-M598 HydrophobicContact CD2-CG 4.35Å; F555-M598 HydrophobicContact CE2-CG 3.61Å; F555-M598 HydrophobicContact CE2-SD 4.35Å; F555-M598 HydrophobicContact CZ-CG 4.47Å; F555-T601 PolarHBondContact N-O 3.31Å; F555-W602 HydrophobicContact CD2-CB 3.42Å; F555-W602 VanDerWaalsContact CD2-CB 3.42Å; F555-W602 AromaticContact CD2-CD1 3.87Å; F555-W602 HydrophobicContact CD2-CG 4.07Å; F555-W602 HydrophobicContact CE2-CB 3.73Å; F555-W602 AromaticContact CE2-CD1 3.91Å; F555-W602 HydrophobicContact CE2-CG 4.19Å; F555-W602 HydrophobicContact CG-CB 4.12Å; F555-W602 AromaticContact CG-CD1 3.95Å; F555-W602 HydrophobicContact CG-CG 4.46Å
556D94.8Very high96.1Very high30 Ų305.6 Ų5.616%0.163%0.03CC..Hα-helixtrans-52.3-46.5-177.8-68.6-18.6000112.9S217 I219 A220 G553S217-D556 VanDerWaalsContact CB-OD1 3.23Å; S217-D556 WeakPolarHBondContact CB-OD1 3.25Å; S217-D556 PolarHBondContact OG-OD1 2.82Å; I219-D556 HydrophobicContact CB-CB 3.76Å; I219-D556 HydrophobicContact CD1-CB 4.26Å; I219-D556 HydrophobicContact CG2-CB 3.7Å; A220-D556 WeakPolarHBondContact CA-O 3.27Å; A220-D556 WeakPolarHBondContact CB-O 3.48Å; A220-D556 PolarHBondContact N-O 3.3Å; G553-D556 WeakPolarHBondContact O-CB 3.31Å; G553-D556 PolarHBondContact O-N 2.85Å
557W95.7Very high96.1Very high6 Ų65.3 Ų5.32%0.0233%0.028CC..Hα-helixtrans-101.2-21.2-174.5-57.2104.9000114.2I219 C223 L232 Y235 Q236 N239 S241 G553 F555 N563 T564 L654I219-W557 HydrophobicContact CG2-CD2 3.99Å; I219-W557 HydrophobicContact CG2-CE3 4.13Å; I219-W557 HydrophobicContact CG2-CH2 4Å; I219-W557 HydrophobicContact CG2-CZ2 3.83Å; I219-W557 HydrophobicContact CG2-CZ3 4.13Å; C223-W557 WeakPolarHBondContact SG-CZ3 3.43Å; L232-W557 HydrophobicContact CD1-CH2 4.48Å; L232-W557 HydrophobicContact CD1-CZ3 4.03Å; Y235-W557 AromaticContact CD1-CH2 3.85Å; Y235-W557 HydrophobicContact CD1-CH2 3.85Å; Y235-W557 AromaticContact CE1-CH2 3.69Å; Y235-W557 HydrophobicContact CE1-CH2 3.69Å; Y235-W557 HydrophobicContact CE1-CZ2 4.13Å; Q236-W557 HydrophobicContact CG-CD2 4.39Å; Q236-W557 HydrophobicContact CG-CE3 3.55Å; Q236-W557 HydrophobicContact CG-CH2 4.1Å; Q236-W557 HydrophobicContact CG-CZ3 3.38Å; N239-W557 WeakPolarHBondContact O-CZ2 3.25Å; S241-W557 VanDerWaalsContact OG-CB 3.25Å; S241-W557 WeakPolarHBondContact OG-CB 3.45Å; G553-W557 PolarHBondContact O-N 3.33Å; F555-W557 VanDerWaalsContact C-N 3.32Å; F555-W557 PolarHBondContact O-N 3.44Å; W557-N563 PolarHBondContact O-ND2 3.48Å; W557-T564 PolarHBondContact O-OG1 3.11Å; W557-L654 HydrophobicContact CH2-CD2 3.71Å; W557-L654 HydrophobicContact CH2-CG 4.38Å; W557-L654 HydrophobicContact CZ3-CD2 4.38Å
558C95.1Very high96.1Very high0 Ų05 Ų50%03%0.027CC..Hα-helixtrans-105.9-7.1-176-54.60000114Q554 W560 Q597 T601Q554-C558 WeakPolarHBondContact O-CB 3.49Å; Q554-C558 PolarHBondContact O-N 3.29Å; Q554-C558 PolarHBondContact O-SG 2.83Å; C558-W560 VanDerWaalsContact C-N 3.33Å; C558-Q597 PolarHBondContact O-NE2 2.9Å; C558-T601 HydrophobicContact CB-CG2 3.69Å
559A92.7Very high96.1Very high0 Ų06.7 Ų6.70%03%0.033CC..SBendtrans-64-41.1174.600000111.2F212 A220 F555 V561 M598F212-A559 HydrophobicContact CE1-CB 3.71Å; F212-A559 HydrophobicContact CZ-CB 3.73Å; F212-A559 VanDerWaalsContact CZ-O 3.29Å; F212-A559 WeakPolarHBondContact CZ-O 3.47Å; A220-A559 HydrophobicContact CB-CB 4.09Å; F555-A559 HydrophobicContact CD2-CB 3.89Å; F555-A559 HydrophobicContact CE1-CB 4.37Å; F555-A559 HydrophobicContact CE2-CB 3.71Å; F555-A559 HydrophobicContact CG-CB 4.33Å; F555-A559 HydrophobicContact CZ-CB 3.95Å; F555-A559 WeakPolarHBondContact O-CB 3.13Å; F555-A559 PolarHBondContact O-N 3.11Å; A559-V561 VanDerWaalsContact C-N 3.35Å; A559-V561 PolarHBondContact O-N 3.14Å; A559-M598 HydrophobicContact CB-CG 4.02Å; A559-M598 HydrophobicContact CB-SD 3.99Å
560W95.3Very high96.1Very high3 Ų39.6 Ų9.61%0.0115%0.048CC..SBendtrans-79.589.8177-176.1-113.8000108.6L205 F208 K209 F212 M224 W227 C558 P562 N563 T564L205-W560 VanDerWaalsContact O-CH2 3.26Å; L205-W560 WeakPolarHBondContact O-CH2 3.45Å; F208-W560 HydrophobicContact CB-CE3 4.26Å; F208-W560 HydrophobicContact CB-CH2 3.75Å; F208-W560 HydrophobicContact CB-CZ3 3.57Å; K209-W560 HydrophobicContact CG-CH2 4.01Å; K209-W560 HydrophobicContact CG-CZ3 3.81Å; F212-W560 HydrophobicContact CD2-CE3 4.3Å; F212-W560 AromaticContact CE2-CE3 3.55Å; F212-W560 HydrophobicContact CE2-CE3 3.55Å; F212-W560 HydrophobicContact CE2-CZ3 4.19Å; F212-W560 HydrophobicContact CZ-CB 4.01Å; F212-W560 AromaticContact CZ-CE3 3.95Å; F212-W560 HydrophobicContact CZ-CE3 3.95Å; M224-W560 HydrophobicContact CB-CD2 4.05Å; M224-W560 HydrophobicContact CB-CE3 3.95Å; M224-W560 HydrophobicContact CB-CG 4.37Å; M224-W560 HydrophobicContact CB-CZ3 4.44Å; M224-W560 HydrophobicContact CG-CD2 4.13Å; M224-W560 HydrophobicContact CG-CE3 3.72Å; M224-W560 HydrophobicContact CG-CH2 4.07Å; M224-W560 HydrophobicContact CG-CZ2 4.43Å; M224-W560 HydrophobicContact CG-CZ3 3.7Å; M224-W560 HydrophobicContact SD-CE3 4.4Å; M224-W560 HydrophobicContact SD-CZ3 4.17Å; W227-W560 AromaticContact CD1-CD1 3.75Å; W227-W560 AromaticContact CD1-CE2 3.93Å; W227-W560 AromaticContact CD1-NE1 3.1Å; W227-W560 AromaticContact CD2-NE1 3.39Å; W227-W560 AromaticContact CE2-NE1 3.32Å; W227-W560 VanDerWaalsContact CE2-NE1 3.32Å; W227-W560 AromaticContact CG-CD1 3.63Å; W227-W560 AromaticContact CG-NE1 3.24Å; W227-W560 HydrophobicContact CZ2-CZ2 4.49Å; W227-W560 AromaticContact NE1-CE2 3.68Å; W227-W560 AromaticContact NE1-CZ2 3.75Å; W227-W560 AromaticContact NE1-NE1 3.11Å; W227-W560 VanDerWaalsContact NE1-NE1 3.11Å; C558-W560 VanDerWaalsContact C-N 3.33Å; W560-P562 VanDerWaalsContact C-CD 3.45Å; W560-P562 VanDerWaalsContact C-N 3.32Å; W560-P562 HydrophobicContact CD2-CG 4.44Å; W560-P562 HydrophobicContact CZ2-CG 3.96Å; W560-N563 HydrophobicContact CB-CB 4.4Å; W560-N563 HydrophobicContact CG-CB 4.4Å; W560-N563 WeakPolarHBondContact O-CA 3.4Å; W560-N563 WeakPolarHBondContact O-CB 3.17Å; W560-N563 PolarHBondContact O-N 2.98Å; W560-T564 PolarHBondContact O-N 2.88Å
561V95.3Very high96.2Very high0 Ų012.9 Ų12.90%07%0.069CC..G310 helixtrans-51.1-41.7-170.9177.70000113.5F208 A559 N563 T564 P565 P589F208-V561 HydrophobicContact CD1-CB 3.82Å; F208-V561 HydrophobicContact CD1-CG1 4.46Å; F208-V561 HydrophobicContact CD1-CG2 4.3Å; F208-V561 HydrophobicContact CE1-CB 3.59Å; F208-V561 HydrophobicContact CE1-CG1 3.72Å; F208-V561 HydrophobicContact CE1-CG2 4.26Å; F208-V561 HydrophobicContact CZ-CG1 4.43Å; A559-V561 VanDerWaalsContact C-N 3.35Å; A559-V561 PolarHBondContact O-N 3.14Å; V561-N563 PolarHBondContact O-N 3Å; V561-T564 CarbonylContact O-C 3.38Å; V561-T564 VanDerWaalsContact O-C 3.25Å; V561-T564 PolarHBondContact O-N 2.81Å; V561-T564 VanDerWaalsContact O-N 3.12Å; V561-P565 HydrophobicContact CG1-CB 4.43Å; V561-P565 VanDerWaalsContact O-CA 3.27Å; V561-P565 WeakPolarHBondContact O-CA 3.34Å; V561-P565 WeakPolarHBondContact O-CB 3.17Å; V561-P565 VanDerWaalsContact O-CD 3.32Å; V561-P565 WeakPolarHBondContact O-CD 3.3Å; V561-P589 HydrophobicContact CG1-CB 4.16Å; V561-P589 HydrophobicContact CG1-CG 3.65Å
562P96.1Very high96.2Very high1 Ų114.1 Ų14.11%0.0068%0.077CC..G310 helixtrans-60.8-26.4175.6-24.535.4000114.7L205 F208 W227 M352 W560 L588L205-P562 HydrophobicContact CD2-CB 4.29Å; L205-P562 HydrophobicContact CD2-CG 4.15Å; F208-P562 HydrophobicContact CD1-CG 4.34Å; F208-P562 HydrophobicContact CD2-CG 3.83Å; F208-P562 HydrophobicContact CE1-CG 4.44Å; F208-P562 HydrophobicContact CE2-CG 3.93Å; F208-P562 HydrophobicContact CG-CG 4.03Å; F208-P562 HydrophobicContact CZ-CG 4.23Å; W227-P562 HydrophobicContact CD2-CB 4.44Å; W227-P562 HydrophobicContact CE3-CB 4.13Å; W227-P562 HydrophobicContact CH2-CB 3.7Å; W227-P562 HydrophobicContact CZ2-CB 4.02Å; W227-P562 HydrophobicContact CZ3-CB 3.76Å; M352-P562 HydrophobicContact CE-CB 4.19Å; W560-P562 VanDerWaalsContact C-CD 3.45Å; W560-P562 VanDerWaalsContact C-N 3.32Å; W560-P562 HydrophobicContact CD2-CG 4.44Å; W560-P562 HydrophobicContact CZ2-CG 3.96Å; P562-L588 HydrophobicContact CB-CD1 4.3Å; P562-L588 HydrophobicContact CG-CD1 4.29Å
563N97.1Very high96.3Very high5 Ų513.1 Ų13.13%0.0277%0.073CC..G310 helixtrans-78-26.9175.7174.470.1000113.2W227 Q236 R355 W557 W560 V561W227-N563 HydrophobicContact CB-CB 3.94Å; Q236-N563 PolarHBondContact NE2-OD1 2.94Å; Q236-N563 PolarHBondContact OE1-ND2 3.34Å; Q236-N563 PolarHBondContact OE1-OD1 2.74Å; R355-N563 WeakPolarHBondContact CB-O 3.48Å; R355-N563 WeakPolarHBondContact CG-O 3.38Å; R355-N563 PolarHBondContact NE-O 3.05Å; W557-N563 PolarHBondContact O-ND2 3.48Å; W560-N563 HydrophobicContact CB-CB 4.4Å; W560-N563 HydrophobicContact CG-CB 4.4Å; W560-N563 WeakPolarHBondContact O-CA 3.4Å; W560-N563 WeakPolarHBondContact O-CB 3.17Å; W560-N563 PolarHBondContact O-N 2.98Å; V561-N563 PolarHBondContact O-N 3Å
564T95.6Very high96.3Very high2 Ų216.1 Ų16.11%0.0129%0.094CC..SBendtrans-150.869.3-178.5-44.40000110.6R355 F359 W557 W560 V561 Q597R355-T564 PolarHBondContact NH2-OG1 3.38Å; F359-T564 HydrophobicContact CB-CG2 3.81Å; F359-T564 HydrophobicContact CD2-CG2 3.79Å; F359-T564 HydrophobicContact CG-CG2 4.28Å; W557-T564 PolarHBondContact O-OG1 3.11Å; W560-T564 PolarHBondContact O-N 2.88Å; V561-T564 CarbonylContact O-C 3.38Å; V561-T564 VanDerWaalsContact O-C 3.25Å; V561-T564 PolarHBondContact O-N 2.81Å; V561-T564 VanDerWaalsContact O-N 3.12Å; T564-Q597 PolarHBondContact O-NE2 2.94Å
565P98Very high96.4Very high0 Ų020 Ų200%012%0.115CC..  trans-72.8133.8-172.727.2-33000111.8H356 V561 T567 M568 L588 P589H356-P565 HydrophobicContact CB-CG 4.01Å; H356-P565 PolarHBondContact CD2-O 3.15Å; H356-P565 VanDerWaalsContact CD2-O 3.31Å; V561-P565 HydrophobicContact CG1-CB 4.43Å; V561-P565 VanDerWaalsContact O-CA 3.27Å; V561-P565 WeakPolarHBondContact O-CA 3.34Å; V561-P565 WeakPolarHBondContact O-CB 3.17Å; V561-P565 VanDerWaalsContact O-CD 3.32Å; V561-P565 WeakPolarHBondContact O-CD 3.3Å; P565-T567 VanDerWaalsContact C-N 3.3Å; P565-T567 PolarHBondContact O-N 2.85Å; P565-M568 HydrophobicContact CB-SD 4.37Å; P565-M568 HydrophobicContact CG-SD 4.11Å; P565-L588 HydrophobicContact CB-CD2 4.08Å; P565-L588 HydrophobicContact CG-CD2 4.23Å; P565-P589 HydrophobicContact CB-CG 3.95Å
566C97.8Very high96.4Very high1 Ų121.5 Ų21.51%0.00712%0.121CC..SBendtrans-75.3-18-179.870.10000114.3F359 Q360 V424 V425 S426 Q597F359-C566 HydrophobicContact CD1-CB 3.83Å; F359-C566 HydrophobicContact CE1-CB 3.33Å; F359-C566 HydrophobicContact CE2-CB 4.19Å; F359-C566 HydrophobicContact CG-CB 4.43Å; F359-C566 HydrophobicContact CZ-CB 3.53Å; Q360-C566 PolarHBondContact NE2-O 3.04Å; V424-C566 PolarHBondContact O-SG 3.12Å; V425-C566 HydrophobicContact CG2-CB 4.43Å; S426-C566 PolarHBondContact N-O 3.42Å; S426-C566 VanDerWaalsContact N-O 3.13Å; C566-Q597 HydrophobicContact CB-CB 4.43Å; C566-Q597 HydrophobicContact CB-CG 4.24Å; C566-Q597 PolarHBondContact SG-OE1 3.46Å
567T98.6Very high96.5Very high0 Ų026.5 Ų26.50%015%0.147CC..  trans-152.6156.6-179.7-1690000111.8Q303 V424 S426 P565 P589 Q593Q303-T567 WeakPolarHBondContact CG-OG1 3.34Å; Q303-T567 PolarHBondContact OE1-OG1 2.81Å; V424-T567 WeakPolarHBondContact O-CB 3.29Å; V424-T567 WeakPolarHBondContact O-CG2 3.26Å; S426-T567 VanDerWaalsContact OG-CA 3.26Å; S426-T567 WeakPolarHBondContact OG-CA 3.45Å; S426-T567 PolarHBondContact OG-OG1 3.02Å; S426-T567 VanDerWaalsContact OG-OG1 3.08Å; P565-T567 VanDerWaalsContact C-N 3.3Å; P565-T567 PolarHBondContact O-N 2.85Å; T567-P589 HydrophobicContact CG2-CB 4.04Å; T567-P589 HydrophobicContact CG2-CG 3.95Å; T567-P589 WeakPolarHBondContact O-CD 3.44Å; T567-P589 WeakPolarHBondContact O-CG 3.27Å; T567-Q593 HydrophobicContact CG2-CB 4.47Å; T567-Q593 HydrophobicContact CG2-CG 4.47Å
568M98.7Very high96.5Very high0 Ų028.3 Ų28.30%016%0.164CC..BIsolated β-bridgetrans-126.2134.8172.9-63.6-66.3-84.900109.2Q303 F304 L349 W353 H356 S426 P565 S587 L588Q303-M568 CarbonylContact C-O 3.28Å; Q303-M568 WeakPolarHBondContact CA-O 3.15Å; F304-M568 PolarHBondContact N-O 3.38Å; L349-M568 HydrophobicContact CD1-CE 3.97Å; W353-M568 HydrophobicContact CD2-CE 3.75Å; W353-M568 HydrophobicContact CD2-CG 4.26Å; W353-M568 HydrophobicContact CE3-CB 4.39Å; W353-M568 HydrophobicContact CE3-CE 4.32Å; W353-M568 HydrophobicContact CE3-CG 3.87Å; W353-M568 HydrophobicContact CG-CE 4.14Å; W353-M568 HydrophobicContact CH2-CB 3.33Å; W353-M568 HydrophobicContact CH2-CE 4.32Å; W353-M568 HydrophobicContact CH2-CG 3.72Å; W353-M568 HydrophobicContact CZ2-CB 3.84Å; W353-M568 HydrophobicContact CZ2-CE 3.7Å; W353-M568 HydrophobicContact CZ2-CG 4.07Å; W353-M568 HydrophobicContact CZ3-CB 3.64Å; W353-M568 HydrophobicContact CZ3-CG 3.6Å; H356-M568 HydrophobicContact CB-CG 4.1Å; S426-M568 PolarHBondContact OG-N 3.18Å; P565-M568 HydrophobicContact CB-SD 4.37Å; P565-M568 HydrophobicContact CG-SD 4.11Å; M568-S587 CarbonylContact C-O 3.41Å; M568-S587 WeakPolarHBondContact CA-O 3.42Å; M568-L588 HydrophobicContact SD-CD2 4.43Å
569R98.3Very high96.6Very high36 Ų3628.9 Ų28.914%0.13617%0.167CC..SBendtrans-103.4-6.6-171.4-66.3-175.4-66.9148.10.5114.4S201 F304 M585 A586 S587 L588S201-R569 PolarHBondContact OG-NH1 2.9Å; S201-R569 PolarHBondContact OG-NH2 3.29Å; F304-R569 VanDerWaalsContact CD2-C 3.47Å; F304-R569 VanDerWaalsContact CE2-O 3.29Å; F304-R569 WeakPolarHBondContact CE2-O 3.23Å; R569-M585 PolarHBondContact NH2-O 3.37Å; R569-A586 WeakPolarHBondContact CB-O 3.28Å; R569-A586 VanDerWaalsContact CZ-O 3.32Å; R569-A586 PolarHBondContact NE-O 3.46Å; R569-A586 PolarHBondContact NH2-O 3.4Å; R569-S587 PolarHBondContact N-O 2.88Å; R569-L588 PolarHBondContact NE-O 3.47Å; R569-L588 PolarHBondContact NH2-O 3.46Å
570L98.1Very high96.9Very high64 Ų6432.1 Ų32.134%0.33519%0.187SC..SBendtrans-127.4157.4170.7-66.8-178.3000108.9F304 W353 M583 A586 S587F304-L570 WeakPolarHBondContact CB-O 3.17Å; F304-L570 WeakPolarHBondContact CD2-O 3.26Å; F304-L570 WeakPolarHBondContact CG-O 3.42Å; W353-L570 WeakPolarHBondContact CH2-O 3.28Å; W353-L570 WeakPolarHBondContact CZ2-O 3.46Å; L570-M583 HydrophobicContact CD1-CG 4.27Å; L570-A586 HydrophobicContact CD1-CB 3.65Å; L570-A586 HydrophobicContact CG-CB 4.42Å; L570-S587 WeakPolarHBondContact CB-OG 3.32Å
571P97.8Very high96.9Very high71 Ų7135.2 Ų35.246%0.46120%0.203SC..PPolyproline II helixtrans-66.9163.2175.929-35.6000112F304F304-P571 HydrophobicContact CD1-CB 3.75Å; F304-P571 HydrophobicContact CE1-CB 3.82Å; F304-P571 HydrophobicContact CE1-CG 4.23Å; F304-P571 HydrophobicContact CG-CB 4.4Å
572P97.3Very high97Very high28 Ų2842.8 Ų42.818%0.18224%0.238CC..PPolyproline II helixtrans-52.9143169.6-28.338.1000112.2A306 L327 W353A306-P572 HydrophobicContact CB-CG 3.99Å; L327-P572 HydrophobicContact CB-CB 4.16Å; L327-P572 HydrophobicContact CD1-CB 3.9Å; W353-P572 HydrophobicContact CD2-CG 4.25Å; W353-P572 HydrophobicContact CE3-CG 4.29Å; W353-P572 HydrophobicContact CH2-CG 3.84Å; W353-P572 HydrophobicContact CZ2-CB 4.33Å; W353-P572 HydrophobicContact CZ2-CG 3.84Å; W353-P572 VanDerWaalsContact CZ2-N 3.35Å; W353-P572 HydrophobicContact CZ3-CG 4.08Å
573P96.3Very high97.1Very high15 Ų1545.7 Ų45.710%0.09725%0.252CS..PPolyproline II helixtrans-69.6132.1179.427.1-33.9000111.7L327 F338 L349 V579L327-P573 HydrophobicContact CD1-CG 4.21Å; F338-P573 HydrophobicContact CE1-CG 4.21Å; F338-P573 HydrophobicContact CZ-CB 4.4Å; F338-P573 HydrophobicContact CZ-CG 3.73Å; L349-P573 HydrophobicContact CD2-CB 4.46Å; L349-P573 HydrophobicContact CD2-CG 3.89Å; L349-P573 HydrophobicContact CG-CG 4.33Å; P573-V579 HydrophobicContact CB-CG2 3.84Å; P573-V579 HydrophobicContact CG-CG2 4.27Å
574S95Very high97.1Very high65 Ų6545.5 Ų45.546%0.45525%0.251SS..SBendtrans-93.3-19172.356.60000113.5D334D334-S574 WeakPolarHBondContact O-CA 3.08Å; D334-S574 VanDerWaalsContact O-CB 3.28Å; D334-S574 WeakPolarHBondContact O-CB 3.03Å
575D95.4Very high97.2Very high83 Ų8345.8 Ų45.844%0.44425%0.253SS..  trans-121.2121.9177.6-179.3-1.1000110.1D577 A578D575-D577 PolarHBondContact OD1-N 3.46Å; D575-A578 HydrophobicContact CB-CB 3.95Å
576K96.4Very high97.1Very high41 Ų4147.3 Ų47.318%0.17827%0.265CS..SBendtrans-69.6-36.1-178.8-57.6-178178-172.40112.3P336 I337 F338 D342 A346 A578P336-K576 HydrophobicContact CB-CD 4.5Å; P336-K576 HydrophobicContact CB-CG 4.2Å; P336-K576 HydrophobicContact CG-CG 4.3Å; I337-K576 VanDerWaalsContact O-CE 3.22Å; I337-K576 WeakPolarHBondContact O-CE 3.29Å; I337-K576 PolarHBondContact O-NZ 3.35Å; F338-K576 HydrophobicContact CD1-CD 4.46Å; F338-K576 HydrophobicContact CD1-CG 4.05Å; F338-K576 HydrophobicContact CE1-CB 4.47Å; F338-K576 HydrophobicContact CE1-CG 3.76Å; F338-K576 HydrophobicContact CZ-CG 4.47Å; D342-K576 HydrophobicContact CB-CD 4.43Å; D342-K576 VanDerWaalsContact CG-NZ 3.31Å; D342-K576 IonicContact OD1-NZ 2.97Å; D342-K576 PolarHBondContact OD1-NZ 3.46Å; D342-K576 WeakPolarHBondContact OD2-CD 3.37Å; D342-K576 VanDerWaalsContact OD2-CE 3.28Å; D342-K576 WeakPolarHBondContact OD2-CE 3.14Å; D342-K576 IonicContact OD2-NZ 2.66Å; D342-K576 PolarHBondContact OD2-NZ 3.18Å; A346-K576 HydrophobicContact CB-CB 4.28Å; A346-K576 WeakPolarHBondContact CB-O 3.37Å; K576-A578 VanDerWaalsContact C-N 3.3Å
577D96.4Very high97.1Very high135 Ų13547.3 Ų47.372%0.72227%0.265SS*.THydrogen-bonded Turntrans-79.7-18.3-174.2-67-49.5000111.8D575D575-D577 PolarHBondContact OD1-N 3.46Å
578A95.3Very high97.1Very high44 Ų4447.3 Ų47.336%0.36427%0.265SS..THydrogen-bonded Turntrans-83.5-7.8178.200000114.5D575 K576 T580D575-A578 HydrophobicContact CB-CB 3.95Å; K576-A578 VanDerWaalsContact C-N 3.3Å; A578-T580 PolarHBondContact O-N 3.05Å
579V97.8Very high97Very high13 Ų1347.3 Ų47.38%0.07927%0.265CS..  trans-73113.6-176-178.10000110.9L345 A346 L349 P573 M583 I584L345-V579 HydrophobicContact CB-CG1 4.12Å; A346-V579 HydrophobicContact CB-CB 4.14Å; A346-V579 HydrophobicContact CB-CG2 4.04Å; L349-V579 HydrophobicContact CB-CG1 4.18Å; L349-V579 HydrophobicContact CD2-CG1 3.74Å; L349-V579 HydrophobicContact CD2-CG2 4.36Å; P573-V579 HydrophobicContact CB-CG2 3.84Å; P573-V579 HydrophobicContact CG-CG2 4.27Å; V579-M583 HydrophobicContact CG2-SD 4.44Å; V579-I584 HydrophobicContact CG1-CD1 4.41Å; V579-I584 HydrophobicContact CG1-CG1 4.27Å
580T97.6Very high96.8Very high67 Ų6746 Ų4641%0.41126%0.261SS..  trans-110.5165.2176.368.60000112A578 E582 M583 I584A578-T580 PolarHBondContact O-N 3.05Å; T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 2.86Å; T580-M583 WeakPolarHBondContact O-CB 3.34Å; T580-M583 PolarHBondContact O-N 3.02Å; T580-M583 PolarHBondContact OG1-N 3.16Å; T580-M583 VanDerWaalsContact OG1-N 3.13Å; T580-I584 PolarHBondContact O-N 2.93Å
581M96.8Very high96.5Very high69 Ų6943.1 Ų43.134%0.3425%0.246SC..Hα-helixtrans-61.5-38.2172.4-174.357.96800111.2L205 L345 M583 I584 M585L205-M581 HydrophobicContact CD1-CE 3.64Å; L205-M581 HydrophobicContact CD1-SD 3.75Å; L205-M581 HydrophobicContact CG-CE 4.43Å; L205-M581 HydrophobicContact CG-SD 3.93Å; L345-M581 HydrophobicContact CD1-CB 4.25Å; L345-M581 HydrophobicContact CD2-CE 3.66Å; M581-M583 VanDerWaalsContact C-N 3.31Å; M581-M583 PolarHBondContact O-N 3.4Å; M581-I584 WeakPolarHBondContact O-CB 3.25Å; M581-I584 PolarHBondContact O-N 2.89Å; M581-I584 HydrophobicContact SD-CB 4.4Å; M581-I584 HydrophobicContact SD-CG2 4.45Å; M581-M585 HydrophobicContact CG-CG 4.31Å; M581-M585 VanDerWaalsContact O-CG 3.3Å; M581-M585 WeakPolarHBondContact O-CG 3.45Å; M581-M585 PolarHBondContact O-N 3.4Å; M581-M585 HydrophobicContact SD-CG 4.33Å; M581-M585 HydrophobicContact SD-SD 4.24Å
582E96.9Very high96.1Very high159 Ų15940.2 Ų40.274%0.74323%0.229SC*.Hα-helixtrans-58.3-43.8175.3-176.8179.5-178.700111.5T580 M585 A586T580-E582 VanDerWaalsContact C-N 3.26Å; T580-E582 PolarHBondContact O-N 2.86Å; E582-M585 PolarHBondContact O-N 3.39Å; E582-A586 WeakPolarHBondContact O-CB 3.32Å; E582-A586 PolarHBondContact O-N 2.73Å
583M97.3Very high95.9Very high62 Ų6239.3 Ų39.331%0.30522%0.222SC..Hα-helixtrans-61.4-45.5174.8-176.1-177.3-71.900111.5L570 V579 T580 M581 M585 A586 S587L570-M583 HydrophobicContact CD1-CG 4.27Å; V579-M583 HydrophobicContact CG2-SD 4.44Å; T580-M583 WeakPolarHBondContact O-CB 3.34Å; T580-M583 PolarHBondContact O-N 3.02Å; T580-M583 PolarHBondContact OG1-N 3.16Å; T580-M583 VanDerWaalsContact OG1-N 3.13Å; M581-M583 VanDerWaalsContact C-N 3.31Å; M581-M583 PolarHBondContact O-N 3.4Å; M583-M585 PolarHBondContact O-N 2.91Å; M583-A586 PolarHBondContact O-N 3.5Å; M583-S587 WeakPolarHBondContact O-CB 3.39Å; M583-S587 PolarHBondContact O-N 3.2Å; M583-S587 PolarHBondContact O-OG 3.24Å
584I97.9Very high95.8Very high0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-57.1-48.9176.3-69.9173.5000110.9L205 L345 L349 M352 V579 T580 M581 A586 S587 L588L205-I584 HydrophobicContact CD2-CG2 4.47Å; L345-I584 HydrophobicContact CB-CD1 3.98Å; L345-I584 HydrophobicContact CD2-CD1 4.05Å; L345-I584 HydrophobicContact CG-CD1 4.45Å; L349-I584 HydrophobicContact CB-CD1 4.42Å; L349-I584 HydrophobicContact CB-CG1 4.2Å; L349-I584 HydrophobicContact CD1-CG1 4.34Å; L349-I584 HydrophobicContact CD2-CG1 4.27Å; M352-I584 HydrophobicContact CE-CG2 3.75Å; M352-I584 HydrophobicContact SD-CG2 3.92Å; V579-I584 HydrophobicContact CG1-CD1 4.41Å; V579-I584 HydrophobicContact CG1-CG1 4.27Å; T580-I584 PolarHBondContact O-N 2.93Å; M581-I584 WeakPolarHBondContact O-CB 3.25Å; M581-I584 PolarHBondContact O-N 2.89Å; M581-I584 HydrophobicContact SD-CB 4.4Å; M581-I584 HydrophobicContact SD-CG2 4.45Å; I584-A586 VanDerWaalsContact C-N 3.27Å; I584-A586 PolarHBondContact O-N 3.23Å; I584-S587 PolarHBondContact O-N 3.33Å; I584-S587 VanDerWaalsContact O-N 3.13Å; I584-L588 HydrophobicContact CG2-CD1 3.9Å; I584-L588 HydrophobicContact CG2-CG 4.31Å; I584-L588 WeakPolarHBondContact O-CG 3.5Å; I584-L588 PolarHBondContact O-N 2.9Å
585M97.1Very high95.6Very high9 Ų935.5 Ų35.54%0.04420%0.196CC..Hα-helixtrans-67-28.9-179.6-61.3-46.4-60.800112.7W202 D204 L205 F208 R569 M581 E582 M583W202-M585 HydrophobicContact CB-CE 3.32Å; W202-M585 HydrophobicContact CG-CE 4.46Å; D204-M585 WeakPolarHBondContact O-CE 3.24Å; L205-M585 HydrophobicContact CD2-SD 3.91Å; L205-M585 HydrophobicContact CG-SD 3.97Å; F208-M585 HydrophobicContact CD2-CE 4.45Å; F208-M585 HydrophobicContact CE2-CE 3.79Å; R569-M585 PolarHBondContact NH2-O 3.37Å; M581-M585 HydrophobicContact CG-CG 4.31Å; M581-M585 VanDerWaalsContact O-CG 3.3Å; M581-M585 WeakPolarHBondContact O-CG 3.45Å; M581-M585 PolarHBondContact O-N 3.4Å; M581-M585 HydrophobicContact SD-CG 4.33Å; M581-M585 HydrophobicContact SD-SD 4.24Å; E582-M585 PolarHBondContact O-N 3.39Å; M583-M585 PolarHBondContact O-N 2.91Å
586A96.6Very high95.4Very high32 Ų3232.9 Ų32.926%0.26418%0.183SC..Hα-helixtrans-74.7-32.3172.300000112.7R569 L570 E582 M583 I584R569-A586 WeakPolarHBondContact CB-O 3.28Å; R569-A586 VanDerWaalsContact CZ-O 3.32Å; R569-A586 PolarHBondContact NE-O 3.46Å; R569-A586 PolarHBondContact NH2-O 3.4Å; L570-A586 HydrophobicContact CD1-CB 3.65Å; L570-A586 HydrophobicContact CG-CB 4.42Å; E582-A586 WeakPolarHBondContact O-CB 3.32Å; E582-A586 PolarHBondContact O-N 2.73Å; M583-A586 PolarHBondContact O-N 3.5Å; I584-A586 VanDerWaalsContact C-N 3.27Å; I584-A586 PolarHBondContact O-N 3.23Å
587S98.1Very high95.3Very high1 Ų131 Ų311%0.00717%0.174CC..Hα-helixtrans-74.8-45.3177.7-63.50000113.3M568 R569 L570 M583 I584M568-S587 CarbonylContact C-O 3.41Å; M568-S587 WeakPolarHBondContact CA-O 3.42Å; R569-S587 PolarHBondContact N-O 2.88Å; L570-S587 WeakPolarHBondContact CB-OG 3.32Å; M583-S587 WeakPolarHBondContact O-CB 3.39Å; M583-S587 PolarHBondContact O-N 3.2Å; M583-S587 PolarHBondContact O-OG 3.24Å; I584-S587 PolarHBondContact O-N 3.33Å; I584-S587 VanDerWaalsContact O-N 3.13Å
588L98.3Very high95.1Very high0 Ų024.5 Ų24.50%014%0.14CC..SBendtrans-62.3162.1-177-74.4174.9000112.9L205 F208 M352 P562 P565 M568 R569 I584L205-L588 HydrophobicContact CD2-CD1 3.98Å; F208-L588 HydrophobicContact CE2-CD1 4.03Å; F208-L588 HydrophobicContact CZ-CB 4.28Å; F208-L588 HydrophobicContact CZ-CD1 4.15Å; M352-L588 HydrophobicContact CE-CD1 4.11Å; M352-L588 HydrophobicContact CE-CD2 4.5Å; M352-L588 HydrophobicContact SD-CD1 4.38Å; M352-L588 HydrophobicContact SD-CD2 3.94Å; M352-L588 HydrophobicContact SD-CG 4.32Å; P562-L588 HydrophobicContact CB-CD1 4.3Å; P562-L588 HydrophobicContact CG-CD1 4.29Å; P565-L588 HydrophobicContact CB-CD2 4.08Å; P565-L588 HydrophobicContact CG-CD2 4.23Å; M568-L588 HydrophobicContact SD-CD2 4.43Å; R569-L588 PolarHBondContact NE-O 3.47Å; R569-L588 PolarHBondContact NH2-O 3.46Å; I584-L588 HydrophobicContact CG2-CD1 3.9Å; I584-L588 HydrophobicContact CG2-CG 4.31Å; I584-L588 WeakPolarHBondContact O-CG 3.5Å; I584-L588 PolarHBondContact O-N 2.9Å
589P97Very high94.9Very high0 Ų022.4 Ų22.40%012%0.123CC..PPolyproline II helixtrans-53.2146.1177.1-26.634.8000113.8V561 P565 T567 Q593 S594V561-P589 HydrophobicContact CG1-CB 4.16Å; V561-P589 HydrophobicContact CG1-CG 3.65Å; P565-P589 HydrophobicContact CB-CG 3.95Å; T567-P589 HydrophobicContact CG2-CB 4.04Å; T567-P589 HydrophobicContact CG2-CG 3.95Å; T567-P589 WeakPolarHBondContact O-CD 3.44Å; T567-P589 WeakPolarHBondContact O-CG 3.27Å; P589-Q593 HydrophobicContact CB-CB 3.81Å; P589-S594 PolarHBondContact O-OG 2.89Å
590D94.2Very high94.7Very high9 Ų922.6 Ų22.65%0.04812%0.123CC..PPolyproline II helixtrans-69.4171.1172.281.527.7000111.8K200 G592 Q593 S594K200-D590 WeakPolarHBondContact O-CB 3.48Å; D590-G592 VanDerWaalsContact C-N 3.26Å; D590-G592 PolarHBondContact O-N 2.63Å; D590-G592 WeakPolarHBondContact OD1-CA 3.37Å; D590-G592 PolarHBondContact OD1-N 3.39Å; D590-Q593 PolarHBondContact O-N 2.96Å; D590-Q593 PolarHBondContact OD1-N 3.45Å; D590-S594 WeakPolarHBondContact O-CB 3.26Å; D590-S594 PolarHBondContact O-N 3.07Å; D590-S594 PolarHBondContact O-OG 3.48Å
591V91.1Very high94.5Very high3 Ų319.4 Ų19.42%0.01810%0.103CC..Hα-helixtrans-54.7-42.7-178.2176.60000111.9L194 F198 K200 W202 S594 C595L194-V591 HydrophobicContact CB-CG1 4.41Å; L194-V591 HydrophobicContact CD2-CG1 4.35Å; F198-V591 HydrophobicContact CD1-CG1 4.04Å; F198-V591 HydrophobicContact CE1-CG1 4.15Å; K200-V591 WeakPolarHBondContact O-CG2 3.28Å; K200-V591 PolarHBondContact O-N 3.37Å; K200-V591 VanDerWaalsContact O-N 3.13Å; W202-V591 HydrophobicContact CD2-CG2 3.74Å; W202-V591 HydrophobicContact CE3-CG2 3.91Å; W202-V591 HydrophobicContact CG-CG2 4.29Å; W202-V591 HydrophobicContact CH2-CB 4.45Å; W202-V591 HydrophobicContact CH2-CG1 3.92Å; W202-V591 HydrophobicContact CH2-CG2 4.13Å; W202-V591 HydrophobicContact CZ2-CB 4.07Å; W202-V591 HydrophobicContact CZ2-CG1 3.87Å; W202-V591 HydrophobicContact CZ2-CG2 3.94Å; W202-V591 HydrophobicContact CZ3-CG2 4.12Å; V591-S594 PolarHBondContact O-N 3.38Å; V591-C595 PolarHBondContact O-N 3.46Å; V591-C595 PolarHBondContact O-SG 3.36Å
592G89.9Confident94.4Very high10 Ų1018.5 Ų18.510%0.10310%0.096CC..Hα-helixtrans-70.9-42.7-177.600000112.3D590 S594 C595 V596D590-G592 VanDerWaalsContact C-N 3.26Å; D590-G592 PolarHBondContact O-N 2.63Å; D590-G592 WeakPolarHBondContact OD1-CA 3.37Å; D590-G592 PolarHBondContact OD1-N 3.39Å; G592-S594 VanDerWaalsContact C-N 3.3Å; G592-S594 PolarHBondContact O-N 3.45Å; G592-C595 PolarHBondContact O-N 2.92Å; G592-V596 WeakPolarHBondContact O-CG2 3.46Å; G592-V596 PolarHBondContact O-N 3.01Å
593Q93.4Very high94.2Very high8 Ų811 Ų114%0.0376%0.061CC..Hα-helixtrans-61.4-41.7174.7-67.6169.7-45.500111Q303 V424 T567 P589 D590 V596 Q597Q303-Q593 VanDerWaalsContact OE1-NE2 3.15Å; V424-Q593 HydrophobicContact CB-CG 4.37Å; V424-Q593 HydrophobicContact CG1-CG 4.29Å; T567-Q593 HydrophobicContact CG2-CB 4.47Å; T567-Q593 HydrophobicContact CG2-CG 4.47Å; P589-Q593 HydrophobicContact CB-CB 3.81Å; D590-Q593 PolarHBondContact O-N 2.96Å; D590-Q593 PolarHBondContact OD1-N 3.45Å; Q593-V596 PolarHBondContact O-N 3.32Å; Q593-Q597 WeakPolarHBondContact O-CB 3.45Å; Q593-Q597 PolarHBondContact O-N 3.18Å
594S93.4Very high94.1Very high0 Ų08.4 Ų8.40%05%0.049CC..Hα-helixtrans-62.5-47.7177.2-55.80000112.3W202 F208 P589 D590 V591 G592 V596 Q597 M598W202-S594 PolarHBondContact NE1-OG 3.33Å; F208-S594 WeakPolarHBondContact CE1-OG 3.37Å; P589-S594 PolarHBondContact O-OG 2.89Å; D590-S594 WeakPolarHBondContact O-CB 3.26Å; D590-S594 PolarHBondContact O-N 3.07Å; D590-S594 PolarHBondContact O-OG 3.48Å; V591-S594 PolarHBondContact O-N 3.38Å; G592-S594 VanDerWaalsContact C-N 3.3Å; G592-S594 PolarHBondContact O-N 3.45Å; S594-V596 VanDerWaalsContact C-N 3.34Å; S594-V596 PolarHBondContact O-N 2.98Å; S594-Q597 PolarHBondContact O-N 3.05Å; S594-M598 PolarHBondContact O-N 2.91Å
595C90.8Very high93.8Very high1 Ų19 Ų91%0.0075%0.054CC..Hα-helixtrans-60.3-43176.6-71.50000111.9L189 V591 G592 A599L189-C595 HydrophobicContact CB-CB 4.46Å; L189-C595 PolarHBondContact O-SG 3.3Å; V591-C595 PolarHBondContact O-N 3.46Å; V591-C595 PolarHBondContact O-SG 3.36Å; G592-C595 PolarHBondContact O-N 2.92Å; C595-A599 VanDerWaalsContact O-CB 3.32Å; C595-A599 WeakPolarHBondContact O-CB 3.39Å; C595-A599 PolarHBondContact O-N 2.75Å
596V91.9Very high93.6Very high27 Ų2710.2 Ų10.216%0.1646%0.058CC..Hα-helixtrans-68.2-43.5179.2174.80000111.2L186 I420 V424 G592 Q593 S594 M598 A599 I600L186-V596 HydrophobicContact CD2-CG2 4.17Å; I420-V596 HydrophobicContact CG2-CG1 4.02Å; V424-V596 HydrophobicContact CB-CG1 4.44Å; V424-V596 HydrophobicContact CG1-CB 3.94Å; V424-V596 HydrophobicContact CG1-CG1 3.88Å; V424-V596 HydrophobicContact CG1-CG2 4.25Å; V424-V596 HydrophobicContact CG2-CB 4.41Å; V424-V596 HydrophobicContact CG2-CG1 3.79Å; G592-V596 WeakPolarHBondContact O-CG2 3.46Å; G592-V596 PolarHBondContact O-N 3.01Å; Q593-V596 PolarHBondContact O-N 3.32Å; S594-V596 VanDerWaalsContact C-N 3.34Å; S594-V596 PolarHBondContact O-N 2.98Å; V596-M598 VanDerWaalsContact C-N 3.33Å; V596-M598 PolarHBondContact O-N 2.71Å; V596-A599 PolarHBondContact O-N 3.2Å; V596-I600 WeakPolarHBondContact O-CG2 3.27Å; V596-I600 PolarHBondContact O-N 3.02Å
597Q93.8Very high93.3Very high1 Ų113 Ų131%0.0058%0.081CC..Hα-helixtrans-54.4-50.9175172.1178.5-33.600110.8F359 C558 T564 C566 Q593 S594 A599 I600 T601F359-Q597 HydrophobicContact CE2-CG 4.48Å; C558-Q597 PolarHBondContact O-NE2 2.9Å; T564-Q597 PolarHBondContact O-NE2 2.94Å; C566-Q597 HydrophobicContact CB-CB 4.43Å; C566-Q597 HydrophobicContact CB-CG 4.24Å; C566-Q597 PolarHBondContact SG-OE1 3.46Å; Q593-Q597 WeakPolarHBondContact O-CB 3.45Å; Q593-Q597 PolarHBondContact O-N 3.18Å; S594-Q597 PolarHBondContact O-N 3.05Å; Q597-A599 PolarHBondContact O-N 3Å; Q597-I600 VanDerWaalsContact O-CG2 3.24Å; Q597-I600 WeakPolarHBondContact O-CG2 3.46Å; Q597-I600 PolarHBondContact O-N 3.07Å; Q597-T601 WeakPolarHBondContact O-CG2 3.1Å; Q597-T601 PolarHBondContact O-N 3.19Å; Q597-T601 PolarHBondContact O-OG1 3.15Å
598M92.4Very high92.9Very high0 Ų013.4 Ų13.40%08%0.083CC..Hα-helixtrans-70.6-33.3-176.4-168.7167.27900112.6L189 I211 F212 F555 A559 S594 V596 T601 W602L189-M598 HydrophobicContact CD1-CB 3.9Å; L189-M598 HydrophobicContact CD1-CE 3.49Å; L189-M598 VanDerWaalsContact CD1-CE 3.49Å; L189-M598 HydrophobicContact CD1-CG 4.03Å; L189-M598 HydrophobicContact CD2-CE 3.16Å; L189-M598 HydrophobicContact CG-CE 3.88Å; I211-M598 HydrophobicContact CB-CE 3.55Å; I211-M598 HydrophobicContact CD1-CE 3.71Å; I211-M598 HydrophobicContact CD1-SD 3.87Å; I211-M598 HydrophobicContact CG1-CE 3.66Å; I211-M598 HydrophobicContact CG1-SD 4.12Å; I211-M598 WeakPolarHBondContact O-CE 3.34Å; F212-M598 HydrophobicContact CD2-SD 4.35Å; F212-M598 HydrophobicContact CE1-SD 4.42Å; F212-M598 HydrophobicContact CE2-SD 4.04Å; F212-M598 HydrophobicContact CZ-SD 4.12Å; F555-M598 HydrophobicContact CD2-CG 4.35Å; F555-M598 HydrophobicContact CE2-CG 3.61Å; F555-M598 HydrophobicContact CE2-SD 4.35Å; F555-M598 HydrophobicContact CZ-CG 4.47Å; A559-M598 HydrophobicContact CB-CG 4.02Å; A559-M598 HydrophobicContact CB-SD 3.99Å; S594-M598 PolarHBondContact O-N 2.91Å; V596-M598 VanDerWaalsContact C-N 3.33Å; V596-M598 PolarHBondContact O-N 2.71Å; M598-T601 PolarHBondContact O-OG1 3.29Å; M598-W602 VanDerWaalsContact O-CB 3.31Å; M598-W602 WeakPolarHBondContact O-CB 3.25Å; M598-W602 PolarHBondContact O-N 2.95Å; M598-W602 VanDerWaalsContact O-N 3.13Å
599A91.6Very high92.4Very high0 Ų017.7 Ų17.70%011%0.111CC..Hα-helixtrans-64.1-45.2173.500000111.8L182 A185 L186 L189 C595 V596 Q597 H603L182-A599 HydrophobicContact CD1-CB 4.5Å; A185-A599 HydrophobicContact CB-CB 4.02Å; L186-A599 HydrophobicContact CD2-CB 3.63Å; L186-A599 HydrophobicContact CG-CB 3.93Å; L189-A599 HydrophobicContact CD1-CB 3.97Å; C595-A599 VanDerWaalsContact O-CB 3.32Å; C595-A599 WeakPolarHBondContact O-CB 3.39Å; C595-A599 PolarHBondContact O-N 2.75Å; V596-A599 PolarHBondContact O-N 3.2Å; Q597-A599 PolarHBondContact O-N 3Å; A599-H603 VanDerWaalsContact O-CB 3.31Å; A599-H603 WeakPolarHBondContact O-CB 3.22Å; A599-H603 PolarHBondContact O-N 3.43Å
600I92.1Very high92.2Very high16 Ų1619.6 Ų19.68%0.08212%0.121CC..Hα-helixtrans-72-41.6-177-16958.1000111.6L182 L414 I420 V596 Q597 W602 H603 L604L182-I600 HydrophobicContact CD1-CD1 4.31Å; L414-I600 HydrophobicContact CD2-CD1 4.01Å; L414-I600 HydrophobicContact CD2-CG1 4.46Å; I420-I600 HydrophobicContact CD1-CD1 3.79Å; I420-I600 HydrophobicContact CD1-CG1 4.14Å; V596-I600 WeakPolarHBondContact O-CG2 3.27Å; V596-I600 PolarHBondContact O-N 3.02Å; Q597-I600 VanDerWaalsContact O-CG2 3.24Å; Q597-I600 WeakPolarHBondContact O-CG2 3.46Å; Q597-I600 PolarHBondContact O-N 3.07Å; I600-W602 VanDerWaalsContact C-N 3.27Å; I600-W602 PolarHBondContact O-N 3.01Å; I600-H603 PolarHBondContact O-N 2.94Å; I600-L604 HydrophobicContact CD1-CD1 4.05Å; I600-L604 HydrophobicContact CD1-CD2 4.29Å; I600-L604 HydrophobicContact CD1-CG 3.92Å; I600-L604 HydrophobicContact CG1-CD1 3.84Å; I600-L604 HydrophobicContact CG1-CG 4.15Å; I600-L604 WeakPolarHBondContact O-CB 3.49Å; I600-L604 VanDerWaalsContact O-CG 3.3Å; I600-L604 WeakPolarHBondContact O-CG 3.34Å; I600-L604 PolarHBondContact O-N 3.35Å
601T93.8Very high92.2Very high0 Ų021.1 Ų21.10%014%0.135CC..Hα-helixtrans-67.9-30178.357.70000112.1F359 F555 C558 Q597 M598 G605F359-T601 HydrophobicContact CE2-CG2 4.49Å; F555-T601 PolarHBondContact N-O 3.31Å; C558-T601 HydrophobicContact CB-CG2 3.69Å; Q597-T601 WeakPolarHBondContact O-CG2 3.1Å; Q597-T601 PolarHBondContact O-N 3.19Å; Q597-T601 PolarHBondContact O-OG1 3.15Å; M598-T601 PolarHBondContact O-OG1 3.29Å; T601-G605 PolarHBondContact O-N 3.44Å
602W94.4Very high92.5Very high51 Ų5122.3 Ų22.319%0.19314%0.141CC..Hα-helixtrans-67.3-49.6168.4-176.181.2000112.2Y184 A185 L215 F555 M598 I600 L604 G605 R606Y184-W602 HydrophobicContact CD1-CH2 4.17Å; Y184-W602 HydrophobicContact CD1-CZ3 4.42Å; Y184-W602 HydrophobicContact CE1-CH2 4.42Å; A185-W602 HydrophobicContact CB-CD2 4.46Å; A185-W602 HydrophobicContact CB-CE3 3.61Å; A185-W602 HydrophobicContact CB-CZ3 3.97Å; L215-W602 HydrophobicContact CD1-CB 4.12Å; L215-W602 HydrophobicContact CD1-CD2 4.03Å; L215-W602 HydrophobicContact CD1-CG 3.76Å; L215-W602 HydrophobicContact CD2-CD2 4.31Å; L215-W602 HydrophobicContact CD2-CZ2 4.23Å; F555-W602 HydrophobicContact CD2-CB 3.42Å; F555-W602 VanDerWaalsContact CD2-CB 3.42Å; F555-W602 AromaticContact CD2-CD1 3.87Å; F555-W602 HydrophobicContact CD2-CG 4.07Å; F555-W602 HydrophobicContact CE2-CB 3.73Å; F555-W602 AromaticContact CE2-CD1 3.91Å; F555-W602 HydrophobicContact CE2-CG 4.19Å; F555-W602 HydrophobicContact CG-CB 4.12Å; F555-W602 AromaticContact CG-CD1 3.95Å; F555-W602 HydrophobicContact CG-CG 4.46Å; M598-W602 VanDerWaalsContact O-CB 3.31Å; M598-W602 WeakPolarHBondContact O-CB 3.25Å; M598-W602 PolarHBondContact O-N 2.95Å; M598-W602 VanDerWaalsContact O-N 3.13Å; I600-W602 VanDerWaalsContact C-N 3.27Å; I600-W602 PolarHBondContact O-N 3.01Å; W602-L604 VanDerWaalsContact C-N 3.29Å; W602-L604 PolarHBondContact O-N 2.77Å; W602-G605 PolarHBondContact O-N 3.31Å; W602-R606 WeakPolarHBondContact O-CB 3.05Å; W602-R606 PolarHBondContact O-N 2.89Å
603H93.5Very high92.9Very high2 Ų223.9 Ų23.91%0.00915%0.149CC..Hα-helixtrans-60.4-40.3-177173.871000112.2F178 S181 L182 A599 I600 R606F178-H603 AromaticContact CD2-CE1 3.8Å; F178-H603 AromaticContact CD2-NE2 3.69Å; F178-H603 AromaticContact CE1-NE2 3.9Å; F178-H603 AromaticContact CE2-CE1 3.89Å; F178-H603 AromaticContact CE2-NE2 3.3Å; F178-H603 VanDerWaalsContact CE2-NE2 3.3Å; F178-H603 WeakPolarHBondContact CE2-NE2 3.39Å; F178-H603 AromaticContact CZ-NE2 3.41Å; F178-H603 WeakPolarHBondContact CZ-NE2 3.41Å; F178-H603 PolarHBondContact O-CE1 3.27Å; S181-H603 PolarHBondContact OG-CE1 3.48Å; S181-H603 PolarHBondContact OG-ND1 3.27Å; L182-H603 HydrophobicContact CD1-CB 4.03Å; A599-H603 VanDerWaalsContact O-CB 3.31Å; A599-H603 WeakPolarHBondContact O-CB 3.22Å; A599-H603 PolarHBondContact O-N 3.43Å; I600-H603 PolarHBondContact O-N 2.94Å; H603-R606 WeakPolarHBondContact O-CG 3.39Å
604L94Very high93.1Very high7 Ų723.7 Ų23.74%0.03715%0.148CC..Hα-helixtrans-79-39.6179.1-60.6176.9000112.9N551 Q554 I600 W602 I670N551-L604 PolarHBondContact ND2-O 2.9Å; N551-L604 PolarHBondContact OD1-O 3.05Å; Q554-L604 VanDerWaalsContact NE2-CB 3.29Å; I600-L604 HydrophobicContact CD1-CD1 4.05Å; I600-L604 HydrophobicContact CD1-CD2 4.29Å; I600-L604 HydrophobicContact CD1-CG 3.92Å; I600-L604 HydrophobicContact CG1-CD1 3.84Å; I600-L604 HydrophobicContact CG1-CG 4.15Å; I600-L604 WeakPolarHBondContact O-CB 3.49Å; I600-L604 VanDerWaalsContact O-CG 3.3Å; I600-L604 WeakPolarHBondContact O-CG 3.34Å; I600-L604 PolarHBondContact O-N 3.35Å; W602-L604 VanDerWaalsContact C-N 3.29Å; W602-L604 PolarHBondContact O-N 2.77Å; L604-I670 HydrophobicContact CD2-CG1 4.23Å; L604-I670 WeakPolarHBondContact O-CG1 3.28Å
605G93.4Very high93.3Very high11 Ų1123.7 Ų23.711%0.11315%0.148CC..Hα-helixtrans-84.8-8.2-175.300000115.8N551 T601 W602N551-G605 WeakPolarHBondContact O-CA 3.45Å; T601-G605 PolarHBondContact O-N 3.44Å; W602-G605 PolarHBondContact O-N 3.31Å
606R91.2Very high93.6Very high36 Ų3627.9 Ų27.914%0.13617%0.168CC..SBendtrans-72.4154-17971.4-175.9179.9102.54.2112.1D177 S181 W602 H603 Q608D177-R606 IonicContact OD1-NH1 2.65Å; D177-R606 PolarHBondContact OD1-NH1 2.91Å; D177-R606 IonicContact OD1-NH2 2.82Å; D177-R606 IonicContact OD2-CZ 4Å; D177-R606 IonicContact OD2-NH1 2.76Å; D177-R606 PolarHBondContact OD2-NH1 3.13Å; D177-R606 IonicContact OD2-NH2 2.76Å; D177-R606 PolarHBondContact OD2-NH2 3.35Å; S181-R606 PolarHBondContact OG-NH2 3.03Å; W602-R606 WeakPolarHBondContact O-CB 3.05Å; W602-R606 PolarHBondContact O-N 2.89Å; H603-R606 WeakPolarHBondContact O-CG 3.39Å; R606-Q608 PolarHBondContact O-N 2.99Å; R606-Q608 PolarHBondContact O-NE2 3.38Å
607A90.4Very high93.8Very high90 Ų9028 Ų2874%0.74417%0.165SC*.PPolyproline II helixtrans-62.1135.3166.500000110.7
608Q90.8Very high93.8Very high9 Ų932 Ų324%0.04219%0.19CC..PPolyproline II helixtrans-84.3142.9178-54.7-56.4-53.800110.4K174 R606 D610 A611 E665 I670K174-Q608 VanDerWaalsContact NZ-CD 3.32Å; R606-Q608 PolarHBondContact O-N 2.99Å; R606-Q608 PolarHBondContact O-NE2 3.38Å; Q608-D610 PolarHBondContact O-N 3.04Å; Q608-A611 HydrophobicContact CB-CB 4.19Å; Q608-A611 VanDerWaalsContact O-CB 3.23Å; Q608-A611 WeakPolarHBondContact O-CB 3.24Å; Q608-A611 PolarHBondContact O-N 3.29Å; Q608-E665 WeakPolarHBondContact CG-OE1 3.46Å; Q608-I670 HydrophobicContact CG-CB 4.23Å; Q608-I670 HydrophobicContact CG-CG2 4.44Å
609P88.1Confident93.9Very high91 Ų9134.8 Ų34.859%0.59120%0.203SC*.THydrogen-bonded Turntrans-66.5-26.4-175.827.4-35.9000113.2D177D177-P609 HydrophobicContact CB-CG 4.18Å; D177-P609 VanDerWaalsContact OD2-CD 3.24Å; D177-P609 WeakPolarHBondContact OD2-CD 3.39Å; D177-P609 WeakPolarHBondContact OD2-CG 3.41Å
610D92Very high94Very high40 Ų4040.6 Ų40.621%0.21423%0.23CC..THydrogen-bonded Turntrans-108.321.2177.575.7-44.7000112.4K174 R401 Y402 Q608 I612K174-D610 VanDerWaalsContact CD-OD1 3.27Å; K174-D610 WeakPolarHBondContact CD-OD1 3.42Å; K174-D610 WeakPolarHBondContact CE-OD1 3.12Å; R401-D610 IonicContact CZ-OD2 3.1Å; R401-D610 IonicContact NH1-OD2 3.61Å; R401-D610 PolarHBondContact NH1-OD2 3.03Å; R401-D610 IonicContact NH2-OD2 2.71Å; R401-D610 PolarHBondContact NH2-OD2 3.25Å; Y402-D610 WeakPolarHBondContact CE2-OD2 3.38Å; Q608-D610 PolarHBondContact O-N 3.04Å; D610-I612 PolarHBondContact O-N 3.17Å
611A94.1Very high94.2Very high41 Ų4140.6 Ų40.634%0.33923%0.23SC..  trans-55.6132.1178.500000110.9Q608 E665Q608-A611 HydrophobicContact CB-CB 4.19Å; Q608-A611 VanDerWaalsContact O-CB 3.23Å; Q608-A611 WeakPolarHBondContact O-CB 3.24Å; Q608-A611 PolarHBondContact O-N 3.29Å; A611-E665 HydrophobicContact CB-CG 3.88Å
612I97.3Very high94.4Very high28 Ų2841.3 Ų41.314%0.14423%0.233CC..  trans-111.2109.3176-54.1175.4000107.6D610 Q616 T618 E665 N666D610-I612 PolarHBondContact O-N 3.17Å; I612-Q616 HydrophobicContact CG2-CB 3.95Å; I612-Q616 WeakPolarHBondContact CG2-O 3.49Å; I612-T618 HydrophobicContact CD1-CG2 4.3Å; I612-T618 WeakPolarHBondContact CD1-OG1 3.35Å; I612-T618 HydrophobicContact CG2-CG2 4.26Å; I612-E665 CarbonylContact O-C 3.59Å; I612-E665 WeakPolarHBondContact O-CA 3.47Å; I612-N666 VanDerWaalsContact CG2-ND2 3.3Å; I612-N666 WeakPolarHBondContact CG2-ND2 3.42Å; I612-N666 PolarHBondContact O-N 3.1Å; I612-N666 PolarHBondContact O-ND2 3.26Å
613P97.9Very high94.5Very high42 Ų4241 Ų4127%0.27324%0.237SC..BIsolated β-bridgetrans-62.1154.7-177.7-24.234.1000113.7G615 Q616 I664 N666P613-G615 PolarHBondContact O-N 2.93Å; P613-Q616 HydrophobicContact CB-CG 4.02Å; P613-Q616 HydrophobicContact CG-CG 4.4Å; P613-Q616 VanDerWaalsContact O-CB 3.24Å; P613-Q616 WeakPolarHBondContact O-CB 3.38Å; P613-Q616 PolarHBondContact O-N 2.92Å; P613-I664 CarbonylContact C-O 3.59Å; P613-I664 VanDerWaalsContact CA-O 3.27Å; P613-I664 WeakPolarHBondContact CA-O 3.33Å; P613-N666 PolarHBondContact O-ND2 2.73Å
614L98.4Very high94.6Very high4 Ų442.4 Ų42.42%0.02124%0.243CC..THydrogen-bonded Turntrans-52.1129.4179.7-179.358.9000111.3L474 I478 T544 Q616 F634 L638 I664 N666L474-L614 HydrophobicContact CD2-CD2 4.34Å; I478-L614 HydrophobicContact CD1-CD2 4.36Å; T544-L614 HydrophobicContact CG2-CD1 3.68Å; L614-Q616 PolarHBondContact O-N 3.02Å; L614-F634 HydrophobicContact CD1-CE1 4.37Å; L614-F634 HydrophobicContact CD1-CZ 4.25Å; L614-F634 HydrophobicContact CD2-CZ 4.45Å; L614-F634 HydrophobicContact CG-CE1 4.45Å; L614-F634 HydrophobicContact CG-CZ 4.19Å; L614-L638 HydrophobicContact CB-CD1 4.33Å; L614-L638 HydrophobicContact CD2-CD1 4.32Å; L614-L638 HydrophobicContact CD2-CD2 3.85Å; L614-L638 HydrophobicContact CG-CD1 3.84Å; L614-L638 HydrophobicContact CG-CD2 4.3Å; L614-L638 VanDerWaalsContact O-CD1 3.27Å; L614-L638 WeakPolarHBondContact O-CD1 3.42Å; L614-I664 HydrophobicContact CB-CB 4.21Å; L614-I664 HydrophobicContact CB-CG2 4.13Å; L614-I664 HydrophobicContact CD2-CG2 4.29Å; L614-I664 PolarHBondContact N-O 2.67Å; L614-N666 WeakPolarHBondContact CA-OD1 3.4Å
615G97.2Very high94.7Very high0 Ų045.9 Ų45.90%027%0.268CS..THydrogen-bonded Turntrans80.8-7.2-179.500000114.4P613 R635 N666P613-G615 PolarHBondContact O-N 2.93Å; G615-R635 PolarHBondContact O-NE 2.74Å; G615-R635 PolarHBondContact O-NH2 3.28Å; G615-N666 PolarHBondContact N-OD1 3.16Å; G615-N666 VanDerWaalsContact N-OD1 3.09Å
616Q97.4Very high94.9Very high90 Ų9048.7 Ų48.742%0.42128%0.283SS..  trans-84.7118170.1-56.9-57.8-35.900109.5I612 P613 L614 N666I612-Q616 HydrophobicContact CG2-CB 3.95Å; I612-Q616 WeakPolarHBondContact CG2-O 3.49Å; P613-Q616 HydrophobicContact CB-CG 4.02Å; P613-Q616 HydrophobicContact CG-CG 4.4Å; P613-Q616 VanDerWaalsContact O-CB 3.24Å; P613-Q616 WeakPolarHBondContact O-CB 3.38Å; P613-Q616 PolarHBondContact O-N 2.92Å; L614-Q616 PolarHBondContact O-N 3.02Å; Q616-N666 PolarHBondContact O-ND2 3.41Å
617Y96.8Very high95.2Very high28 Ų2847 Ų4711%0.1128%0.277CS..  trans-118.499.1-176.8-57.2-48.3000109.3P398 H399 F481 Q619 I631P398-Y617 HydrophobicContact CB-CD1 3.61Å; P398-Y617 HydrophobicContact CB-CE1 3.83Å; P398-Y617 HydrophobicContact CG-CD1 3.75Å; P398-Y617 HydrophobicContact CG-CE1 4.08Å; P398-Y617 HydrophobicContact CG-CG 4.45Å; H399-Y617 AromaticContact CE1-CE1 3.88Å; H399-Y617 AromaticContact NE2-CE1 3.65Å; H399-Y617 AromaticContact NE2-CZ 3.81Å; H399-Y617 PolarHBondContact NE2-OH 3.43Å; H399-Y617 VanDerWaalsContact NE2-OH 3.13Å; F481-Y617 WeakPolarHBondContact CE1-OH 3.37Å; F481-Y617 HydrophobicContact CZ-CE2 4.29Å; Y617-Q619 VanDerWaalsContact C-N 3.33Å; Y617-I631 HydrophobicContact CD2-CD1 3.97Å; Y617-I631 HydrophobicContact CD2-CG1 4.12Å; Y617-I631 HydrophobicContact CD2-CG2 3.6Å; Y617-I631 HydrophobicContact CE2-CB 4.46Å; Y617-I631 HydrophobicContact CE2-CD1 4.24Å; Y617-I631 HydrophobicContact CE2-CG1 3.96Å; Y617-I631 HydrophobicContact CE2-CG2 3.79Å
618T92.8Very high95.6Very high85 Ų8545.6 Ų45.652%0.52126%0.259SS..SBendtrans-79.1-19.9-178.757.10000113I612I612-T618 HydrophobicContact CD1-CG2 4.3Å; I612-T618 WeakPolarHBondContact CD1-OG1 3.35Å; I612-T618 HydrophobicContact CG2-CG2 4.26Å
619Q94.4Very high96Very high59 Ų5950.9 Ų50.928%0.27628%0.283SS..SBendtrans-102.2105.1169.5-62.5-174.8-500108.6Y101 Y617 H621Y101-Q619 HydrophobicContact CD1-CB 3.89Å; Y101-Q619 HydrophobicContact CD1-CG 3.59Å; Y101-Q619 HydrophobicContact CD2-CB 3.94Å; Y101-Q619 HydrophobicContact CD2-CG 4.42Å; Y101-Q619 HydrophobicContact CE1-CB 3.88Å; Y101-Q619 HydrophobicContact CE1-CG 3.9Å; Y101-Q619 HydrophobicContact CE2-CB 3.91Å; Y101-Q619 HydrophobicContact CG-CB 3.94Å; Y101-Q619 HydrophobicContact CG-CG 3.9Å; Y617-Q619 VanDerWaalsContact C-N 3.33Å; Q619-H621 VanDerWaalsContact C-N 3.31Å; Q619-H621 PolarHBondContact O-CD2 3.02Å; Q619-H621 PolarHBondContact O-N 2.73Å; Q619-H621 PolarHBondContact OE1-NE2 2.76Å
620E94.6Very high96.5Very high123 Ų12348.1 Ų48.158%0.57526%0.264SS*.  trans-76.280.6179.4-63.9175.1-168.100110.1Y101Y101-E620 PolarHBondContact OH-N 3.24Å
621H96.6Very high96.8Very high15 Ų1547 Ų477%0.06926%0.257CS..  trans-75.7-36175.8-73.7-74.3000112.2Y101 K394 Q619Y101-H621 AromaticContact CD2-CE1 3.51Å; Y101-H621 AromaticContact CD2-ND1 3.88Å; Y101-H621 AromaticContact CD2-NE2 3.9Å; K394-H621 HydrophobicContact CB-CB 3.86Å; K394-H621 WeakPolarHBondContact CD-O 3.24Å; K394-H621 HydrophobicContact CG-CB 3.99Å; K394-H621 PolarHBondContact NZ-O 3.31Å; Q619-H621 VanDerWaalsContact C-N 3.31Å; Q619-H621 PolarHBondContact O-CD2 3.02Å; Q619-H621 PolarHBondContact O-N 2.73Å; Q619-H621 PolarHBondContact OE1-NE2 2.76Å
622F97.6Very high97Very high15 Ų1548.5 Ų48.57%0.06626%0.258CS..  trans-88.2133.4170.5-70.1-72.2000109.8A117 P391 K394 L395 M485 Y489 A627 I631A117-F622 HydrophobicContact CB-CD1 4.36Å; A117-F622 HydrophobicContact CB-CE1 4.04Å; P391-F622 HydrophobicContact CB-CE1 4.47Å; P391-F622 WeakPolarHBondContact O-CZ 3.38Å; K394-F622 HydrophobicContact CB-CD1 4.3Å; K394-F622 HydrophobicContact CB-CD2 4.13Å; K394-F622 HydrophobicContact CB-CE1 3.82Å; K394-F622 HydrophobicContact CB-CE2 3.63Å; K394-F622 HydrophobicContact CB-CG 4.45Å; K394-F622 HydrophobicContact CB-CZ 3.46Å; K394-F622 VanDerWaalsContact CB-CZ 3.46Å; K394-F622 HydrophobicContact CD-CD1 3.96Å; K394-F622 HydrophobicContact CD-CE1 3.87Å; K394-F622 HydrophobicContact CD-CZ 4.39Å; L395-F622 HydrophobicContact CB-CE2 4.25Å; L395-F622 HydrophobicContact CB-CZ 4.24Å; M485-F622 HydrophobicContact CE-CD1 4.14Å; M485-F622 HydrophobicContact CE-CD2 3.68Å; M485-F622 HydrophobicContact CE-CE1 3.71Å; M485-F622 HydrophobicContact CE-CE2 3.19Å; M485-F622 HydrophobicContact CE-CG 4.12Å; M485-F622 HydrophobicContact CE-CZ 3.2Å; Y489-F622 HydrophobicContact CE2-CD1 4.42Å; Y489-F622 AromaticContact CE2-CE1 3.67Å; Y489-F622 HydrophobicContact CE2-CE1 3.67Å; Y489-F622 HydrophobicContact CE2-CZ 4.36Å; Y489-F622 AromaticContact CZ-CE1 3.77Å; Y489-F622 VanDerWaalsContact OH-CD1 3.23Å; Y489-F622 WeakPolarHBondContact OH-CD1 3.5Å; Y489-F622 VanDerWaalsContact OH-CE1 3.26Å; Y489-F622 WeakPolarHBondContact OH-CE1 3.35Å; F622-A627 HydrophobicContact CB-CB 3.95Å; F622-A627 HydrophobicContact CD1-CB 3.93Å; F622-A627 HydrophobicContact CG-CB 4.02Å; F622-I631 HydrophobicContact CD2-CD1 4.29Å
623T95.1Very high97.1Very high44 Ų4451 Ų5127%0.2727%0.274SS..  trans-121.8-10.6-179.559.30000111.9T97 P99 G115 T116T97-T623 HydrophobicContact CG2-CG2 3.93Å; P99-T623 HydrophobicContact CG-CG2 3.94Å; G115-T623 WeakPolarHBondContact CA-OG1 3.19Å; G115-T623 PolarHBondContact O-OG1 3.46Å; T116-T623 PolarHBondContact N-OG1 3.01Å
624E96.1Very high97.1Very high32 Ų3249.3 Ų49.315%0.1526%0.262CS..SBendtrans-72.8132.7177.3-5298.2114.100111.3T116 A117 Y489 V626 A627 V628T116-E624 HydrophobicContact CG2-CG 4.02Å; A117-E624 WeakPolarHBondContact CB-OE1 3.33Å; A117-E624 PolarHBondContact N-OE1 3.12Å; Y489-E624 WeakPolarHBondContact CE1-OE1 3.35Å; Y489-E624 PolarHBondContact OH-OE1 3.36Å; E624-V626 VanDerWaalsContact C-N 3.28Å; E624-V626 PolarHBondContact O-N 2.84Å; E624-A627 HydrophobicContact CB-CB 4.37Å; E624-A627 PolarHBondContact O-N 3.15Å; E624-A627 VanDerWaalsContact O-N 3.14Å; E624-V628 WeakPolarHBondContact O-CG2 3.43Å; E624-V628 PolarHBondContact O-N 2.85Å
625S96.2Very high97.1Very high80 Ų8052 Ų5256%0.55927%0.272SS*.Hα-helixtrans-55.9-40.9-177.756.20000113.2V628 E629S625-V628 PolarHBondContact O-N 3.32Å; S625-E629 WeakPolarHBondContact O-CG 3.38Å; S625-E629 PolarHBondContact O-N 3.27Å
626V98.1Very high97.2Very high70 Ų7058.5 Ų58.542%0.42430%0.301SS..Hα-helixtrans-64-43.6179.7-174.50000111.5L488 E624 V628 E629 L630L488-V626 HydrophobicContact CD1-CB 4.21Å; L488-V626 HydrophobicContact CD1-CG1 3.7Å; L488-V626 HydrophobicContact CD2-CB 4.43Å; L488-V626 HydrophobicContact CD2-CG1 4.22Å; E624-V626 VanDerWaalsContact C-N 3.28Å; E624-V626 PolarHBondContact O-N 2.84Å; V626-V628 VanDerWaalsContact C-N 3.34Å; V626-V628 PolarHBondContact O-N 3.22Å; V626-E629 PolarHBondContact O-N 2.94Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 2.93Å
627A98.1Very high97.3Very high0 Ų058.9 Ų58.90%030%0.301CS..Hα-helixtrans-64.5-40176.400000111.5M485 L488 F622 E624 L630 I631M485-A627 HydrophobicContact CE-CB 4.26Å; M485-A627 HydrophobicContact SD-CB 4.34Å; L488-A627 HydrophobicContact CD2-CB 3.9Å; F622-A627 HydrophobicContact CB-CB 3.95Å; F622-A627 HydrophobicContact CD1-CB 3.93Å; F622-A627 HydrophobicContact CG-CB 4.02Å; E624-A627 HydrophobicContact CB-CB 4.37Å; E624-A627 PolarHBondContact O-N 3.15Å; E624-A627 VanDerWaalsContact O-N 3.14Å; A627-L630 PolarHBondContact O-N 2.68Å; A627-I631 WeakPolarHBondContact O-CG1 3.43Å; A627-I631 PolarHBondContact O-N 2.93Å
628V97.9Very high97.4Very high61 Ų6157.8 Ų57.837%0.3730%0.297SS..Hα-helixtrans-63-41.1175174.20000111.4E624 S625 V626 L630 I631 E632E624-V628 WeakPolarHBondContact O-CG2 3.43Å; E624-V628 PolarHBondContact O-N 2.85Å; S625-V628 PolarHBondContact O-N 3.32Å; V626-V628 VanDerWaalsContact C-N 3.34Å; V626-V628 PolarHBondContact O-N 3.22Å; V628-L630 VanDerWaalsContact C-N 3.35Å; V628-L630 PolarHBondContact O-N 3.22Å; V628-I631 WeakPolarHBondContact O-CB 3.35Å; V628-I631 PolarHBondContact O-N 2.79Å; V628-E632 WeakPolarHBondContact O-CG 3.4Å; V628-E632 PolarHBondContact O-N 2.66Å
629E98.6Very high97.7Very high120 Ų12058.3 Ų58.356%0.56129%0.292SS*.Hα-helixtrans-63.7-37.1175.9-74.8170.5-164.600112.8S625 V626 E632 T633S625-E629 WeakPolarHBondContact O-CG 3.38Å; S625-E629 PolarHBondContact O-N 3.27Å; V626-E629 PolarHBondContact O-N 2.94Å; E629-E632 PolarHBondContact O-N 3.19Å; E629-T633 PolarHBondContact O-N 3.31Å; E629-T633 PolarHBondContact O-OG1 3.37Å
630L98.7Very high97.9Very high34 Ų3460.6 Ų60.618%0.17830%0.303CS..Hα-helixtrans-65.6-41.8173.6-67.6178.7000111.6D484 M485 L488 V626 A627 V628 E632 T633 F634D484-L630 HydrophobicContact CB-CD1 3.97Å; D484-L630 HydrophobicContact CB-CD2 3.84Å; D484-L630 HydrophobicContact CB-CG 4.46Å; M485-L630 HydrophobicContact CG-CD1 4.41Å; M485-L630 HydrophobicContact SD-CB 4.05Å; M485-L630 HydrophobicContact SD-CD1 3.81Å; L488-L630 HydrophobicContact CB-CD1 4.48Å; L488-L630 HydrophobicContact CD2-CD1 4.21Å; V626-L630 WeakPolarHBondContact O-CG 3.35Å; V626-L630 PolarHBondContact O-N 2.93Å; A627-L630 PolarHBondContact O-N 2.68Å; V628-L630 VanDerWaalsContact C-N 3.35Å; V628-L630 PolarHBondContact O-N 3.22Å; L630-E632 VanDerWaalsContact C-N 3.34Å; L630-E632 PolarHBondContact O-N 2.97Å; L630-T633 WeakPolarHBondContact O-CB 3.38Å; L630-T633 PolarHBondContact O-N 3.17Å; L630-F634 PolarHBondContact O-N 2.79Å
631I98.7Very high98.1Very high15 Ų1555 Ų558%0.07728%0.276CS..Hα-helixtrans-60.2-43.9173.5-68.9166000110.7F481 Y617 F622 A627 V628 T633 F634 R635F481-I631 HydrophobicContact CE2-CG1 3.87Å; F481-I631 HydrophobicContact CZ-CG1 3.99Å; Y617-I631 HydrophobicContact CD2-CD1 3.97Å; Y617-I631 HydrophobicContact CD2-CG1 4.12Å; Y617-I631 HydrophobicContact CD2-CG2 3.6Å; Y617-I631 HydrophobicContact CE2-CB 4.46Å; Y617-I631 HydrophobicContact CE2-CD1 4.24Å; Y617-I631 HydrophobicContact CE2-CG1 3.96Å; Y617-I631 HydrophobicContact CE2-CG2 3.79Å; F622-I631 HydrophobicContact CD2-CD1 4.29Å; A627-I631 WeakPolarHBondContact O-CG1 3.43Å; A627-I631 PolarHBondContact O-N 2.93Å; V628-I631 WeakPolarHBondContact O-CB 3.35Å; V628-I631 PolarHBondContact O-N 2.79Å; I631-T633 VanDerWaalsContact C-N 3.31Å; I631-T633 PolarHBondContact O-N 3.43Å; I631-F634 WeakPolarHBondContact O-CB 3.48Å; I631-F634 PolarHBondContact O-N 3.35Å; I631-R635 WeakPolarHBondContact O-CG 3.36Å; I631-R635 PolarHBondContact O-N 2.82Å
632E98.6Very high98.2Very high74 Ų7455.5 Ų55.535%0.34628%0.279SS..Hα-helixtrans-63.8-36.3176-73.3-54.7133.500112.7V628 E629 L630 R635 K636V628-E632 WeakPolarHBondContact O-CG 3.4Å; V628-E632 PolarHBondContact O-N 2.66Å; E629-E632 PolarHBondContact O-N 3.19Å; L630-E632 VanDerWaalsContact C-N 3.34Å; L630-E632 PolarHBondContact O-N 2.97Å; E632-R635 PolarHBondContact O-N 2.74Å; E632-R635 IonicContact OE1-CZ 3.51Å; E632-R635 IonicContact OE1-NE 2.82Å; E632-R635 IonicContact OE1-NH1 3.36Å; E632-R635 PolarHBondContact OE1-NH1 2.84Å; E632-K636 WeakPolarHBondContact O-CG 3.38Å; E632-K636 PolarHBondContact O-N 3.25Å
633T98.7Very high98.2Very high80 Ų8058.1 Ų58.149%0.49129%0.294SS..Hα-helixtrans-65.1-43.6174.6-58.80000110.9E629 L630 I631 R635 K636 K637E629-T633 PolarHBondContact O-N 3.31Å; E629-T633 PolarHBondContact O-OG1 3.37Å; L630-T633 WeakPolarHBondContact O-CB 3.38Å; L630-T633 PolarHBondContact O-N 3.17Å; I631-T633 VanDerWaalsContact C-N 3.31Å; I631-T633 PolarHBondContact O-N 3.43Å; T633-R635 PolarHBondContact O-N 3.47Å; T633-K636 PolarHBondContact O-N 3.47Å; T633-K637 PolarHBondContact O-N 3.49Å
634F98.9Very high98.4Very high6 Ų660.1 Ų60.13%0.02630%0.3CS..Hα-helixtrans-60.6-44.4173.9179.2-129.3000112A477 I478 F481 L614 L630 I631 K636 K637 L638A477-F634 HydrophobicContact CB-CE2 4.22Å; I478-F634 HydrophobicContact CG1-CE2 4.08Å; I478-F634 HydrophobicContact CG1-CZ 3.91Å; F481-F634 HydrophobicContact CB-CB 3.97Å; F481-F634 HydrophobicContact CB-CD1 4.48Å; F481-F634 HydrophobicContact CB-CD2 3.64Å; F481-F634 HydrophobicContact CB-CE2 4.23Å; F481-F634 HydrophobicContact CB-CG 3.79Å; F481-F634 AromaticContact CD1-CD1 3.85Å; F481-F634 HydrophobicContact CD1-CD1 3.85Å; F481-F634 HydrophobicContact CD1-CD2 4.39Å; F481-F634 HydrophobicContact CD1-CE1 4.09Å; F481-F634 HydrophobicContact CD1-CG 4.01Å; F481-F634 HydrophobicContact CD1-CZ 4.46Å; F481-F634 HydrophobicContact CD2-CB 3.66Å; F481-F634 HydrophobicContact CD2-CD1 4.38Å; F481-F634 HydrophobicContact CD2-CG 4.06Å; F481-F634 HydrophobicContact CE1-CD1 4.15Å; F481-F634 HydrophobicContact CE1-CE1 4.42Å; F481-F634 HydrophobicContact CE2-CB 4.31Å; F481-F634 HydrophobicContact CG-CB 3.78Å; F481-F634 AromaticContact CG-CD1 3.97Å; F481-F634 HydrophobicContact CG-CD1 3.97Å; F481-F634 HydrophobicContact CG-CD2 4.03Å; F481-F634 AromaticContact CG-CG 3.67Å; F481-F634 HydrophobicContact CG-CG 3.67Å; L614-F634 HydrophobicContact CD1-CE1 4.37Å; L614-F634 HydrophobicContact CD1-CZ 4.25Å; L614-F634 HydrophobicContact CD2-CZ 4.45Å; L614-F634 HydrophobicContact CG-CE1 4.45Å; L614-F634 HydrophobicContact CG-CZ 4.19Å; L630-F634 PolarHBondContact O-N 2.79Å; I631-F634 WeakPolarHBondContact O-CB 3.48Å; I631-F634 PolarHBondContact O-N 3.35Å; F634-K636 VanDerWaalsContact C-N 3.34Å; F634-K636 PolarHBondContact O-N 2.97Å; F634-K637 WeakPolarHBondContact O-CB 3.21Å; F634-K637 PolarHBondContact O-N 3.13Å; F634-K637 VanDerWaalsContact O-N 3.13Å; F634-L638 HydrophobicContact CD1-CD1 4.11Å; F634-L638 HydrophobicContact CD2-CD1 4.44Å; F634-L638 HydrophobicContact CD2-CG 4.15Å; F634-L638 HydrophobicContact CE1-CD1 3.69Å; F634-L638 HydrophobicContact CE1-CG 4.37Å; F634-L638 HydrophobicContact CE2-CD1 4.04Å; F634-L638 HydrophobicContact CE2-CD2 3.78Å; F634-L638 HydrophobicContact CE2-CG 3.81Å; F634-L638 HydrophobicContact CG-CD1 4.47Å; F634-L638 HydrophobicContact CZ-CD1 3.65Å; F634-L638 HydrophobicContact CZ-CD2 3.91Å; F634-L638 HydrophobicContact CZ-CG 3.93Å; F634-L638 WeakPolarHBondContact O-CG 3.45Å; F634-L638 PolarHBondContact O-N 3.25Å
635R98.8Very high98.5Very high61 Ų6158.6 Ų58.623%0.2329%0.293CS..Hα-helixtrans-57.6-43.6175.6-73.1169.8-178.5170.82.7112.5G615 I631 E632 T633 L638 K639G615-R635 PolarHBondContact O-NE 2.74Å; G615-R635 PolarHBondContact O-NH2 3.28Å; I631-R635 WeakPolarHBondContact O-CG 3.36Å; I631-R635 PolarHBondContact O-N 2.82Å; E632-R635 PolarHBondContact O-N 2.74Å; E632-R635 IonicContact OE1-CZ 3.51Å; E632-R635 IonicContact OE1-NE 2.82Å; E632-R635 IonicContact OE1-NH1 3.36Å; E632-R635 PolarHBondContact OE1-NH1 2.84Å; T633-R635 PolarHBondContact O-N 3.47Å; R635-L638 PolarHBondContact O-N 2.86Å; R635-K639 PolarHBondContact O-N 2.84Å
636K98.8Very high98.6Very high137 Ų13758.2 Ų58.260%0.59628%0.284SS*.Hα-helixtrans-62.7-44.5175.4-70.8170-173.8171.60111.3E632 T633 F634 L638 K639 E640E632-K636 WeakPolarHBondContact O-CG 3.38Å; E632-K636 PolarHBondContact O-N 3.25Å; T633-K636 PolarHBondContact O-N 3.47Å; F634-K636 VanDerWaalsContact C-N 3.34Å; F634-K636 PolarHBondContact O-N 2.97Å; K636-L638 PolarHBondContact O-N 2.73Å; K636-K639 WeakPolarHBondContact O-CB 3.26Å; K636-K639 PolarHBondContact O-N 3.45Å; K636-K639 VanDerWaalsContact O-N 3.1Å; K636-E640 WeakPolarHBondContact O-CG 3.43Å; K636-E640 PolarHBondContact O-N 2.89Å
637K98.8Very high98.6Very high97 Ų9760.9 Ų60.942%0.42230%0.296SS..Hα-helixtrans-61.2-43177.6-170.171.3-149.2158.40112.3A477 T633 F634 K639 E640 I641A477-K637 HydrophobicContact CB-CG 3.82Å; T633-K637 PolarHBondContact O-N 3.49Å; F634-K637 WeakPolarHBondContact O-CB 3.21Å; F634-K637 PolarHBondContact O-N 3.13Å; F634-K637 VanDerWaalsContact O-N 3.13Å; K637-K639 VanDerWaalsContact C-N 3.3Å; K637-K639 PolarHBondContact O-N 3.28Å; K637-E640 IonicContact NZ-OE2 3.62Å; K637-E640 PolarHBondContact NZ-OE2 2.96Å; K637-E640 PolarHBondContact O-N 3.13Å; K637-I641 HydrophobicContact CG-CD1 4.42Å; K637-I641 WeakPolarHBondContact O-CG1 3.35Å; K637-I641 PolarHBondContact O-N 2.73Å; K637-I641 VanDerWaalsContact O-N 3.08Å
638L98.9Very high98.5Very high6 Ų664.2 Ų64.23%0.03131%0.311CS..Hα-helixtrans-61.1-40.2173.8-69.5177.2000111.4L474 L614 F634 R635 K636 E640 I641 E642 P661L474-L638 HydrophobicContact CD2-CD2 4.04Å; L614-L638 HydrophobicContact CB-CD1 4.33Å; L614-L638 HydrophobicContact CD2-CD1 4.32Å; L614-L638 HydrophobicContact CD2-CD2 3.85Å; L614-L638 HydrophobicContact CG-CD1 3.84Å; L614-L638 HydrophobicContact CG-CD2 4.3Å; L614-L638 VanDerWaalsContact O-CD1 3.27Å; L614-L638 WeakPolarHBondContact O-CD1 3.42Å; F634-L638 HydrophobicContact CD1-CD1 4.11Å; F634-L638 HydrophobicContact CD2-CD1 4.44Å; F634-L638 HydrophobicContact CD2-CG 4.15Å; F634-L638 HydrophobicContact CE1-CD1 3.69Å; F634-L638 HydrophobicContact CE1-CG 4.37Å; F634-L638 HydrophobicContact CE2-CD1 4.04Å; F634-L638 HydrophobicContact CE2-CD2 3.78Å; F634-L638 HydrophobicContact CE2-CG 3.81Å; F634-L638 HydrophobicContact CG-CD1 4.47Å; F634-L638 HydrophobicContact CZ-CD1 3.65Å; F634-L638 HydrophobicContact CZ-CD2 3.91Å; F634-L638 HydrophobicContact CZ-CG 3.93Å; F634-L638 WeakPolarHBondContact O-CG 3.45Å; F634-L638 PolarHBondContact O-N 3.25Å; R635-L638 PolarHBondContact O-N 2.86Å; K636-L638 PolarHBondContact O-N 2.73Å; L638-E640 PolarHBondContact O-N 3.37Å; L638-I641 PolarHBondContact O-N 2.7Å; L638-E642 PolarHBondContact O-N 2.78Å; L638-P661 HydrophobicContact CB-CB 4.01Å; L638-P661 HydrophobicContact CB-CG 4.36Å; L638-P661 HydrophobicContact CD2-CB 4.3Å; L638-P661 HydrophobicContact CD2-CG 4.37Å; L638-P661 WeakPolarHBondContact O-CG 3.44Å
639K98.8Very high98.5Very high96 Ų9661.3 Ų61.342%0.41729%0.294SS..Hα-helixtrans-63.8-40.9177.3-174.752.9-178.7150.50112.5R635 K636 K637 I641 E642 D643R635-K639 PolarHBondContact O-N 2.84Å; K636-K639 WeakPolarHBondContact O-CB 3.26Å; K636-K639 PolarHBondContact O-N 3.45Å; K636-K639 VanDerWaalsContact O-N 3.1Å; K637-K639 VanDerWaalsContact C-N 3.3Å; K637-K639 PolarHBondContact O-N 3.28Å; K639-I641 PolarHBondContact O-N 2.88Å; K639-E642 HydrophobicContact CD-CB 4.49Å; K639-E642 IonicContact NZ-OE1 2.63Å; K639-E642 PolarHBondContact NZ-OE1 3.14Å; K639-E642 WeakPolarHBondContact O-CB 3.17Å; K639-E642 PolarHBondContact O-N 3.03Å; K639-D643 VanDerWaalsContact CE-OD1 3.3Å; K639-D643 WeakPolarHBondContact CE-OD1 3.44Å; K639-D643 IonicContact NZ-OD1 2.86Å; K639-D643 PolarHBondContact NZ-OD1 2.82Å; K639-D643 PolarHBondContact O-N 3.29Å
640E98.8Very high98.4Very high107 Ų10758.9 Ų58.950%0.530%0.295SS..Hα-helixtrans-60.2-43.9174-67.3169.9-173.400112.3K636 K637 L638 E642 D643 Q644K636-E640 WeakPolarHBondContact O-CG 3.43Å; K636-E640 PolarHBondContact O-N 2.89Å; K637-E640 IonicContact NZ-OE2 3.62Å; K637-E640 PolarHBondContact NZ-OE2 2.96Å; K637-E640 PolarHBondContact O-N 3.13Å; L638-E640 PolarHBondContact O-N 3.37Å; E640-E642 VanDerWaalsContact C-N 3.33Å; E640-D643 PolarHBondContact O-N 2.73Å; E640-Q644 PolarHBondContact O-N 2.75Å
641I98.9Very high98.2Very high4 Ų461 Ų612%0.02132%0.324CS..Hα-helixtrans-62.9-42.7176.5-66.6168.5000110M473 L474 A477 K637 L638 K639 D643 Q644 I645 P661M473-I641 HydrophobicContact CB-CD1 4.25Å; M473-I641 HydrophobicContact CB-CG1 4.34Å; M473-I641 HydrophobicContact CB-CG2 4.21Å; M473-I641 HydrophobicContact CE-CG2 4.41Å; M473-I641 WeakPolarHBondContact O-CD1 3.43Å; L474-I641 HydrophobicContact CD2-CG2 4.22Å; L474-I641 HydrophobicContact CG-CG2 4.49Å; A477-I641 HydrophobicContact CB-CD1 3.63Å; K637-I641 HydrophobicContact CG-CD1 4.42Å; K637-I641 WeakPolarHBondContact O-CG1 3.35Å; K637-I641 PolarHBondContact O-N 2.73Å; K637-I641 VanDerWaalsContact O-N 3.08Å; L638-I641 PolarHBondContact O-N 2.7Å; K639-I641 PolarHBondContact O-N 2.88Å; I641-D643 PolarHBondContact O-N 3.08Å; I641-Q644 PolarHBondContact O-N 2.77Å; I641-I645 HydrophobicContact CG2-CD1 3.84Å; I641-I645 HydrophobicContact CG2-CG1 4.38Å; I641-I645 VanDerWaalsContact O-CG1 3.32Å; I641-I645 WeakPolarHBondContact O-CG1 3.4Å; I641-I645 PolarHBondContact O-N 2.83Å; I641-P661 HydrophobicContact CB-CG 4.45Å; I641-P661 HydrophobicContact CG2-CG 4.25Å
642E98.7Very high98Very high27 Ų2763.5 Ų63.513%0.12634%0.338CS..Hα-helixtrans-57.4-49176.7-175.6168.997.300112.1L638 K639 E640 Q644 I645 L646 L660 P661 S662L638-E642 PolarHBondContact O-N 2.78Å; K639-E642 HydrophobicContact CD-CB 4.49Å; K639-E642 IonicContact NZ-OE1 2.63Å; K639-E642 PolarHBondContact NZ-OE1 3.14Å; K639-E642 WeakPolarHBondContact O-CB 3.17Å; K639-E642 PolarHBondContact O-N 3.03Å; E640-E642 VanDerWaalsContact C-N 3.33Å; E642-Q644 VanDerWaalsContact C-N 3.32Å; E642-Q644 PolarHBondContact O-N 3.32Å; E642-I645 PolarHBondContact O-N 2.85Å; E642-L646 HydrophobicContact CG-CD1 4.12Å; E642-L646 WeakPolarHBondContact O-CG 3.46Å; E642-L646 PolarHBondContact O-N 3.22Å; E642-L660 HydrophobicContact CG-CD2 3.98Å; E642-P661 HydrophobicContact CB-CG 4.06Å; E642-S662 WeakPolarHBondContact OE2-CB 3.49Å; E642-S662 PolarHBondContact OE2-N 2.87Å; E642-S662 PolarHBondContact OE2-OG 3.07Å
643D98.7Very high97.6Very high69 Ų6966.9 Ų66.937%0.36936%0.358SS..Hα-helixtrans-63.2-40.8179.8-64.9-20.4000110.6K639 E640 I641 I645 L646 D647K639-D643 VanDerWaalsContact CE-OD1 3.3Å; K639-D643 WeakPolarHBondContact CE-OD1 3.44Å; K639-D643 IonicContact NZ-OD1 2.86Å; K639-D643 PolarHBondContact NZ-OD1 2.82Å; K639-D643 PolarHBondContact O-N 3.29Å; E640-D643 PolarHBondContact O-N 2.73Å; I641-D643 PolarHBondContact O-N 3.08Å; D643-I645 PolarHBondContact O-N 2.99Å; D643-L646 PolarHBondContact O-N 3.47Å; D643-D647 WeakPolarHBondContact O-CB 3.37Å; D643-D647 PolarHBondContact O-N 3.22Å
644Q98.6Very high97.3Very high87 Ų8763.9 Ų63.941%0.40734%0.339SS..Hα-helixtrans-61.2-43.5174.1-175.8179.6-25.900112.6M473 E640 I641 E642 D647 Q648M473-Q644 VanDerWaalsContact SD-CD 3.5Å; M473-Q644 HydrophobicContact SD-CG 4.48Å; M473-Q644 PolarHBondContact SD-NE2 3.01Å; E640-Q644 PolarHBondContact O-N 2.75Å; I641-Q644 PolarHBondContact O-N 2.77Å; E642-Q644 VanDerWaalsContact C-N 3.32Å; E642-Q644 PolarHBondContact O-N 3.32Å; Q644-D647 PolarHBondContact O-N 3.47Å; Q644-Q648 WeakPolarHBondContact O-CB 3.21Å; Q644-Q648 VanDerWaalsContact O-CG 3.28Å; Q644-Q648 WeakPolarHBondContact O-CG 3.12Å; Q644-Q648 PolarHBondContact O-N 3.26Å
645I98.6Very high97.2Very high0 Ų067.5 Ų67.50%036%0.356CS..Hα-helixtrans-64.7-42.2177.9-68.4171.4000110.2N470 M473 I641 E642 D643 Q648 N649 L657 L659 L660N470-I645 HydrophobicContact CB-CD1 4.08Å; M473-I645 HydrophobicContact CE-CG1 4.04Å; I641-I645 HydrophobicContact CG2-CD1 3.84Å; I641-I645 HydrophobicContact CG2-CG1 4.38Å; I641-I645 VanDerWaalsContact O-CG1 3.32Å; I641-I645 WeakPolarHBondContact O-CG1 3.4Å; I641-I645 PolarHBondContact O-N 2.83Å; E642-I645 PolarHBondContact O-N 2.85Å; D643-I645 PolarHBondContact O-N 2.99Å; I645-Q648 PolarHBondContact O-N 3.22Å; I645-N649 WeakPolarHBondContact O-CB 3.19Å; I645-N649 PolarHBondContact O-N 3.19Å; I645-N649 VanDerWaalsContact O-N 3.07Å; I645-N649 PolarHBondContact O-ND2 2.98Å; I645-L657 HydrophobicContact CG2-CD2 4.48Å; I645-L659 VanDerWaalsContact CD1-O 3.32Å; I645-L659 WeakPolarHBondContact CD1-O 3.5Å; I645-L660 HydrophobicContact CB-CD2 3.84Å; I645-L660 HydrophobicContact CG2-CD2 3.5Å; I645-L660 HydrophobicContact CG2-CG 4.25Å
646L98.5Very high97Very high71 Ų7164.9 Ų64.937%0.37235%0.346SS..Hα-helixtrans-62.3-44.3177.7-70.9170.9000111.5E642 D643 N649 A650 L657 L660E642-L646 HydrophobicContact CG-CD1 4.12Å; E642-L646 WeakPolarHBondContact O-CG 3.46Å; E642-L646 PolarHBondContact O-N 3.22Å; D643-L646 PolarHBondContact O-N 3.47Å; L646-N649 PolarHBondContact O-N 2.67Å; L646-A650 PolarHBondContact O-N 3.35Å; L646-L657 HydrophobicContact CD2-CD2 4.43Å; L646-L660 HydrophobicContact CD2-CD1 4.1Å; L646-L660 HydrophobicContact CD2-CD2 3.94Å; L646-L660 HydrophobicContact CG-CD2 3.91Å
647D98Very high96.9Very high127 Ų12759.4 Ų59.468%0.67932%0.323SS*.Hα-helixtrans-64.2-43.6177.5-74.7-14.8000111.9D643 Q644 N649 A650D643-D647 WeakPolarHBondContact O-CB 3.37Å; D643-D647 PolarHBondContact O-N 3.22Å; Q644-D647 PolarHBondContact O-N 3.47Å; D647-N649 PolarHBondContact O-N 3Å; D647-A650 WeakPolarHBondContact O-CB 3.01Å; D647-A650 PolarHBondContact O-N 3.29Å
648Q96.1Very high96.7Very high69 Ų6955.6 Ų55.632%0.32231%0.308SS..Hα-helixtrans-62.2-29.5176-76.3178-12.400113Q644 I645Q644-Q648 WeakPolarHBondContact O-CB 3.21Å; Q644-Q648 VanDerWaalsContact O-CG 3.28Å; Q644-Q648 WeakPolarHBondContact O-CG 3.12Å; Q644-Q648 PolarHBondContact O-N 3.26Å; I645-Q648 PolarHBondContact O-N 3.22Å
649N97.1Very high96.7Very high0 Ų055.3 Ų55.30%031%0.306CS..Hα-helixtrans-94-5.9-178.9-78.9-87.7000113.8I645 L646 D647 G651 L652 Q655 Y656 L657I645-N649 WeakPolarHBondContact O-CB 3.19Å; I645-N649 PolarHBondContact O-N 3.19Å; I645-N649 VanDerWaalsContact O-N 3.07Å; I645-N649 PolarHBondContact O-ND2 2.98Å; L646-N649 PolarHBondContact O-N 2.67Å; D647-N649 PolarHBondContact O-N 3Å; N649-G651 PolarHBondContact O-N 3.41Å; N649-L652 PolarHBondContact O-N 3.17Å; N649-Q655 HydrophobicContact CB-CB 4.17Å; N649-Q655 HydrophobicContact CB-CG 4.22Å; N649-Q655 PolarHBondContact O-NE2 3.35Å; N649-Q655 WeakPolarHBondContact OD1-CA 3.3Å; N649-Y656 PolarHBondContact ND2-O 3.36Å; N649-Y656 PolarHBondContact OD1-N 3.32Å; N649-L657 HydrophobicContact CB-CD2 3.91Å
650A96.6Very high96.6Very high70 Ų7050.9 Ų50.958%0.57929%0.287SS*.THydrogen-bonded Turntrans-63.1123.1-17900000110.7L646 D647 L652L646-A650 PolarHBondContact O-N 3.35Å; D647-A650 WeakPolarHBondContact O-CB 3.01Å; D647-A650 PolarHBondContact O-N 3.29Å; A650-L652 VanDerWaalsContact C-N 3.31Å; A650-L652 PolarHBondContact O-N 2.87Å
651G94.8Very high96.6Very high77 Ų7746.1 Ų46.179%0.79427%0.265SS*.THydrogen-bonded Turntrans79.62.1178.700000115.8N649N649-G651 PolarHBondContact O-N 3.41Å
652L94Very high96.5Very high69 Ų6948.9 Ų48.936%0.36129%0.285SS..  trans-74.6135.9169.5-61.6-176.6000110.6F466 N649 A650 L654 Q655F466-L652 HydrophobicContact CE1-CD1 4.46Å; F466-L652 HydrophobicContact CE2-CD1 4.05Å; F466-L652 HydrophobicContact CZ-CD1 3.67Å; N649-L652 PolarHBondContact O-N 3.17Å; A650-L652 VanDerWaalsContact C-N 3.31Å; A650-L652 PolarHBondContact O-N 2.87Å; L652-L654 PolarHBondContact O-N 3.41Å; L652-Q655 HydrophobicContact CB-CG 4.48Å
653D89.8Confident96.4Very high144 Ų14454.1 Ų54.177%0.7730%0.304SS*.SBendtrans-60.7-32.9173.8-64.9-34.8000111.8Y222Y222-D653 HydrophobicContact CE2-CB 4.2Å
654L94.1Very high96.4Very high18 Ų1850.9 Ų50.99%0.09429%0.286CS..SBendtrans-128.397.6-179.6-165.558.5000110.5I219 Y222 L232 Y235 W557 L652I219-L654 HydrophobicContact CB-CD1 4.35Å; I219-L654 HydrophobicContact CG1-CD1 3.92Å; I219-L654 HydrophobicContact CG2-CD1 4.15Å; Y222-L654 HydrophobicContact CD1-CD1 4.02Å; Y222-L654 HydrophobicContact CD1-CD2 3.84Å; Y222-L654 HydrophobicContact CD1-CG 4.47Å; Y222-L654 HydrophobicContact CD2-CD1 4.48Å; Y222-L654 HydrophobicContact CE1-CD2 3.8Å; Y222-L654 HydrophobicContact CG-CD1 3.98Å; L232-L654 HydrophobicContact CD1-CD2 3.93Å; Y235-L654 HydrophobicContact CD1-CD2 3.83Å; Y235-L654 HydrophobicContact CE1-CD2 3.5Å; Y235-L654 HydrophobicContact CE1-CG 4.05Å; Y235-L654 PolarHBondContact OH-O 2.93Å; W557-L654 HydrophobicContact CH2-CD2 3.71Å; W557-L654 HydrophobicContact CH2-CG 4.38Å; W557-L654 HydrophobicContact CZ3-CD2 4.38Å; L652-L654 PolarHBondContact O-N 3.41Å
655Q95.1Very high96.4Very high82 Ų8247.7 Ų47.738%0.38327%0.272SS..  trans-80.8135.6-176.9-57.4-174.7-40.800111.9N649 L652 L657N649-Q655 HydrophobicContact CB-CB 4.17Å; N649-Q655 HydrophobicContact CB-CG 4.22Å; N649-Q655 PolarHBondContact O-NE2 3.35Å; N649-Q655 WeakPolarHBondContact OD1-CA 3.3Å; L652-Q655 HydrophobicContact CB-CG 4.48Å; Q655-L657 HydrophobicContact CB-CD1 4.21Å; Q655-L657 HydrophobicContact CB-CD2 4.16Å; Q655-L657 HydrophobicContact CB-CG 3.8Å; Q655-L657 PolarHBondContact O-N 3.43Å
656Y96.3Very high96.3Very high6 Ų647.9 Ų47.92%0.02427%0.273CS..  trans-95.186.2170.4-172.4-95.3000110.6N239 F466 Y467 N649 V658 L659N239-Y656 HydrophobicContact CB-CD2 3.93Å; N239-Y656 HydrophobicContact CB-CE2 4.4Å; N239-Y656 WeakPolarHBondContact O-CD2 3.25Å; F466-Y656 HydrophobicContact CB-CD1 3.57Å; F466-Y656 HydrophobicContact CB-CE1 4.33Å; F466-Y656 HydrophobicContact CB-CG 3.74Å; Y467-Y656 WeakPolarHBondContact CD2-OH 3.46Å; N649-Y656 PolarHBondContact ND2-O 3.36Å; N649-Y656 PolarHBondContact OD1-N 3.32Å; Y656-V658 HydrophobicContact CE2-CB 4.39Å; Y656-V658 HydrophobicContact CE2-CG2 4.43Å; Y656-L659 HydrophobicContact CE1-CB 4.23Å; Y656-L659 HydrophobicContact CE1-CD1 4.1Å; Y656-L659 HydrophobicContact CE1-CG 4.15Å
657L95.9Very high96.3Very high22 Ų2244.7 Ų44.712%0.11526%0.256CS..  trans-106.36.7-176.3-58.7-173.8000114.1I645 L646 N649 Q655 L659 L660I645-L657 HydrophobicContact CG2-CD2 4.48Å; L646-L657 HydrophobicContact CD2-CD2 4.43Å; N649-L657 HydrophobicContact CB-CD2 3.91Å; Q655-L657 HydrophobicContact CB-CD1 4.21Å; Q655-L657 HydrophobicContact CB-CD2 4.16Å; Q655-L657 HydrophobicContact CB-CG 3.8Å; Q655-L657 PolarHBondContact O-N 3.43Å; L657-L659 PolarHBondContact O-N 2.91Å; L657-L660 HydrophobicContact CB-CD1 3.77Å; L657-L660 HydrophobicContact CB-CG 4.12Å; L657-L660 HydrophobicContact CD1-CD1 4.27Å; L657-L660 HydrophobicContact CD2-CD1 4.03Å; L657-L660 HydrophobicContact CD2-CD2 4.43Å; L657-L660 HydrophobicContact CD2-CG 4.28Å; L657-L660 HydrophobicContact CG-CD1 4.23Å; L657-L660 WeakPolarHBondContact O-CG 3.42Å; L657-L660 PolarHBondContact O-N 2.86Å
658V94.8Very high96.3Very high16 Ų1638.7 Ų38.710%0.09722%0.224CC..THydrogen-bonded Turntrans-62.4-33.4-176.1177.40000111.8A548 N552 Y656A548-V658 WeakPolarHBondContact O-CG1 3.27Å; N552-V658 HydrophobicContact CB-CG1 4.21Å; Y656-V658 HydrophobicContact CE2-CB 4.39Å; Y656-V658 HydrophobicContact CE2-CG2 4.43Å
659L97.8Very high96.3Very high0 Ų035.5 Ų35.50%021%0.209CC..THydrogen-bonded Turntrans-10023-179.3-73-178.3000113.8Y467 N470 L474 A545 A549 I645 Y656 L657 P661 I664Y467-L659 HydrophobicContact CD2-CD1 4.01Å; N470-L659 HydrophobicContact CB-CB 3.86Å; N470-L659 HydrophobicContact CB-CD1 3.73Å; N470-L659 HydrophobicContact CB-CG 4.46Å; L474-L659 HydrophobicContact CD1-CB 4.02Å; L474-L659 HydrophobicContact CD1-CD1 4.41Å; L474-L659 HydrophobicContact CD1-CD2 3.98Å; L474-L659 HydrophobicContact CD1-CG 4.37Å; A545-L659 HydrophobicContact CB-CD2 4.1Å; A545-L659 VanDerWaalsContact O-CD2 3.26Å; A545-L659 WeakPolarHBondContact O-CD2 3.15Å; A549-L659 HydrophobicContact CB-CD1 4.44Å; A549-L659 HydrophobicContact CB-CD2 4.01Å; A549-L659 HydrophobicContact CB-CG 4.32Å; I645-L659 VanDerWaalsContact CD1-O 3.32Å; I645-L659 WeakPolarHBondContact CD1-O 3.5Å; Y656-L659 HydrophobicContact CE1-CB 4.23Å; Y656-L659 HydrophobicContact CE1-CD1 4.1Å; Y656-L659 HydrophobicContact CE1-CG 4.15Å; L657-L659 PolarHBondContact O-N 2.91Å; L659-P661 WeakPolarHBondContact O-CD 3.5Å; L659-I664 HydrophobicContact CB-CD1 4.45Å; L659-I664 HydrophobicContact CD2-CD1 3.94Å; L659-I664 HydrophobicContact CD2-CG1 4.37Å
660L97.8Very high96.1Very high4 Ų435.7 Ų35.72%0.02121%0.211CC..  trans-65.2126.3166.8-73.5175.7000109.4E642 I645 L646 L657 S662 R663 I664E642-L660 HydrophobicContact CG-CD2 3.98Å; I645-L660 HydrophobicContact CB-CD2 3.84Å; I645-L660 HydrophobicContact CG2-CD2 3.5Å; I645-L660 HydrophobicContact CG2-CG 4.25Å; L646-L660 HydrophobicContact CD2-CD1 4.1Å; L646-L660 HydrophobicContact CD2-CD2 3.94Å; L646-L660 HydrophobicContact CG-CD2 3.91Å; L657-L660 HydrophobicContact CB-CD1 3.77Å; L657-L660 HydrophobicContact CB-CG 4.12Å; L657-L660 HydrophobicContact CD1-CD1 4.27Å; L657-L660 HydrophobicContact CD2-CD1 4.03Å; L657-L660 HydrophobicContact CD2-CD2 4.43Å; L657-L660 HydrophobicContact CD2-CG 4.28Å; L657-L660 HydrophobicContact CG-CD1 4.23Å; L657-L660 WeakPolarHBondContact O-CG 3.42Å; L657-L660 PolarHBondContact O-N 2.86Å; L660-S662 VanDerWaalsContact C-N 3.26Å; L660-S662 PolarHBondContact O-N 3.21Å; L660-S662 VanDerWaalsContact O-N 3.15Å; L660-R663 HydrophobicContact CB-CB 4.3Å; L660-R663 HydrophobicContact CB-CG 4.11Å; L660-R663 HydrophobicContact CD1-CG 4.49Å; L660-R663 WeakPolarHBondContact O-CA 3.3Å; L660-R663 PolarHBondContact O-N 3.13Å; L660-I664 WeakPolarHBondContact O-CG1 3.44Å; L660-I664 PolarHBondContact O-N 3.19Å
661P98.5Very high96.1Very high6 Ų634 Ų344%0.03919%0.192CC..G310 helixtrans-48.8-41.1178.6-32.537.6000114.8L474 L638 I641 E642 L659 R663 I664L474-P661 HydrophobicContact CD2-CG 4.11Å; L638-P661 HydrophobicContact CB-CB 4.01Å; L638-P661 HydrophobicContact CB-CG 4.36Å; L638-P661 HydrophobicContact CD2-CB 4.3Å; L638-P661 HydrophobicContact CD2-CG 4.37Å; L638-P661 WeakPolarHBondContact O-CG 3.44Å; I641-P661 HydrophobicContact CB-CG 4.45Å; I641-P661 HydrophobicContact CG2-CG 4.25Å; E642-P661 HydrophobicContact CB-CG 4.06Å; L659-P661 WeakPolarHBondContact O-CD 3.5Å; P661-R663 PolarHBondContact O-N 3.22Å; P661-I664 PolarHBondContact O-N 3.02Å
662S97.3Very high96.2Very high63 Ų6331.7 Ų31.744%0.44116%0.16SC..G310 helixtrans-64.6-14.9175.153.20000115.5E642 L660E642-S662 WeakPolarHBondContact OE2-CB 3.49Å; E642-S662 PolarHBondContact OE2-N 2.87Å; E642-S662 PolarHBondContact OE2-OG 3.07Å; L660-S662 VanDerWaalsContact C-N 3.26Å; L660-S662 PolarHBondContact O-N 3.21Å; L660-S662 VanDerWaalsContact O-N 3.15Å
663R96.2Very high96.3Very high136 Ų13629.7 Ų29.751%0.51315%0.149SC..G310 helixtrans-108.5-3.7179.5-59.6-173.1-177.9-178.52.6113.5N552 L660 P661N552-R663 PolarHBondContact ND2-O 2.85Å; L660-R663 HydrophobicContact CB-CB 4.3Å; L660-R663 HydrophobicContact CB-CG 4.11Å; L660-R663 HydrophobicContact CD1-CG 4.49Å; L660-R663 WeakPolarHBondContact O-CA 3.3Å; L660-R663 PolarHBondContact O-N 3.13Å; P661-R663 PolarHBondContact O-N 3.22Å
664I98.3Very high96.7Very high1 Ų122.9 Ų22.91%0.00511%0.113CC..SBendtrans-92.2122.1175.6-63.5166.1000107.4L474 T544 A545 A548 P613 L614 L659 L660 P661L474-I664 HydrophobicContact CD1-CD1 3.53Å; L474-I664 HydrophobicContact CD2-CD1 4.24Å; T544-I664 VanDerWaalsContact C-CG2 3.47Å; A545-I664 HydrophobicContact CB-CD1 4.39Å; A548-I664 HydrophobicContact CB-CB 4.34Å; A548-I664 HydrophobicContact CB-CG1 3.92Å; A548-I664 HydrophobicContact CB-CG2 4.15Å; P613-I664 CarbonylContact C-O 3.59Å; P613-I664 VanDerWaalsContact CA-O 3.27Å; P613-I664 WeakPolarHBondContact CA-O 3.33Å; L614-I664 HydrophobicContact CB-CB 4.21Å; L614-I664 HydrophobicContact CB-CG2 4.13Å; L614-I664 HydrophobicContact CD2-CG2 4.29Å; L614-I664 PolarHBondContact N-O 2.67Å; L659-I664 HydrophobicContact CB-CD1 4.45Å; L659-I664 HydrophobicContact CD2-CD1 3.94Å; L659-I664 HydrophobicContact CD2-CG1 4.37Å; L660-I664 WeakPolarHBondContact O-CG1 3.44Å; L660-I664 PolarHBondContact O-N 3.19Å; P661-I664 PolarHBondContact O-N 3.02Å
665E98.2Very high96.8Very high20 Ų2023.3 Ų23.39%0.09311%0.114CC..BIsolated β-bridgetrans-74.7153.6173.3-69.6-174.3-135.200111.4T544 Q608 A611 I612 S667 T669T544-E665 WeakPolarHBondContact CG2-O 3.45Å; Q608-E665 WeakPolarHBondContact CG-OE1 3.46Å; A611-E665 HydrophobicContact CB-CG 3.88Å; I612-E665 CarbonylContact O-C 3.59Å; I612-E665 WeakPolarHBondContact O-CA 3.47Å; E665-S667 PolarHBondContact O-N 3.5Å; E665-T669 WeakPolarHBondContact OE2-CG2 3.45Å; E665-T669 PolarHBondContact OE2-OG1 2.97Å
666N97.8Very high97Very high5 Ų519.3 Ų19.33%0.02710%0.096CC..SBendtrans-64.1-25.1175.6-83.9-50.5000113.6H399 T544 I612 P613 L614 G615 Q616H399-N666 WeakPolarHBondContact CA-O 3.49Å; H399-N666 PolarHBondContact CE1-OD1 2.92Å; H399-N666 VanDerWaalsContact CE1-OD1 3.28Å; H399-N666 PolarHBondContact ND1-O 2.96Å; T544-N666 WeakPolarHBondContact CG2-O 3.34Å; I612-N666 VanDerWaalsContact CG2-ND2 3.3Å; I612-N666 WeakPolarHBondContact CG2-ND2 3.42Å; I612-N666 PolarHBondContact O-N 3.1Å; I612-N666 PolarHBondContact O-ND2 3.26Å; P613-N666 PolarHBondContact O-ND2 2.73Å; L614-N666 WeakPolarHBondContact CA-OD1 3.4Å; G615-N666 PolarHBondContact N-OD1 3.16Å; G615-N666 VanDerWaalsContact N-OD1 3.09Å; Q616-N666 PolarHBondContact O-ND2 3.41Å
667S98.4Very high97Very high4 Ų420.3 Ų20.33%0.02810%0.101CC..SBendtrans-147175.8-176.168.40000111.6H399 R401 S543 E665 T669H399-S667 VanDerWaalsContact C-CB 3.41Å; H399-S667 VanDerWaalsContact O-CB 3.3Å; H399-S667 WeakPolarHBondContact O-CB 3.44Å; R401-S667 WeakPolarHBondContact O-CB 3.44Å; R401-S667 PolarHBondContact O-OG 2.95Å; S543-S667 CarbonylContact O-C 3.55Å; S543-S667 VanDerWaalsContact O-C 3.28Å; S543-S667 WeakPolarHBondContact O-CA 3.38Å; E665-S667 PolarHBondContact O-N 3.5Å; S667-T669 PolarHBondContact O-N 2.92Å; S667-T669 WeakPolarHBondContact OG-CG2 3.41Å
668I98.4Very high97.1Very high0 Ų020.2 Ų20.20%010%0.1CC..  trans-82.7107.8173.5-55.1-174.7000108.7H372 V375 T403 I406 H547H372-I668 WeakPolarHBondContact CE1-CG2 3.47Å; H372-I668 WeakPolarHBondContact ND1-CG2 3.29Å; V375-I668 HydrophobicContact CB-CD1 3.94Å; V375-I668 HydrophobicContact CG1-CD1 4.35Å; V375-I668 HydrophobicContact CG2-CD1 3.86Å; T403-I668 HydrophobicContact CG2-CB 4.47Å; T403-I668 PolarHBondContact N-O 3.21Å; T403-I668 PolarHBondContact OG1-O 2.88Å; I406-I668 HydrophobicContact CG2-CG2 4.12Å; H547-I668 HydrophobicContact CB-CD1 4.24Å; H547-I668 HydrophobicContact CB-CG1 3.99Å
669T95.4Very high97.3Very high2 Ų220.5 Ų20.51%0.01210%0.1CC..  trans-121.91.7-175.2760000114.5F170 K174 Y402 E665 S667F170-T669 WeakPolarHBondContact CE1-O 3.45Å; F170-T669 VanDerWaalsContact CZ-O 3.3Å; F170-T669 WeakPolarHBondContact CZ-O 3.49Å; K174-T669 WeakPolarHBondContact CE-O 3.48Å; K174-T669 PolarHBondContact NZ-O 3.29Å; Y402-T669 HydrophobicContact CD2-CG2 4.16Å; E665-T669 WeakPolarHBondContact OE2-CG2 3.45Å; E665-T669 PolarHBondContact OE2-OG1 2.97Å; S667-T669 PolarHBondContact O-N 2.92Å; S667-T669 WeakPolarHBondContact OG-CG2 3.41Å
670I93.3Very high97.2Very high5 Ų522.4 Ų22.43%0.02611%0.11CC..  trans-145.50-178.3-17469.8000110.5F178 H372 I406 N551 L604 Q608F178-I670 HydrophobicContact CD2-CD1 3.68Å; F178-I670 HydrophobicContact CE2-CD1 3.53Å; H372-I670 PolarHBondContact CE1-O 3.37Å; I406-I670 VanDerWaalsContact CD1-OXT 3.3Å; I406-I670 WeakPolarHBondContact CD1-OXT 3.37Å; I406-I670 VanDerWaalsContact CG1-C 3.4Å; I406-I670 WeakPolarHBondContact CG1-OXT 3.41Å; N551-I670 WeakPolarHBondContact ND2-CG2 3.24Å; L604-I670 HydrophobicContact CD2-CG1 4.23Å; L604-I670 WeakPolarHBondContact O-CG1 3.28Å; Q608-I670 HydrophobicContact CG-CB 4.23Å; Q608-I670 HydrophobicContact CG-CG2 4.44Å

Retrieved 670 of 670 residues in 1098.6 ms (Link to these results)

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