A0A3Q0KMU4_SCHMA Loading...

Centaurin/arf-related

AlphaFold DB , UniProt , Accession A0A3Q0KMU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,447 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
1M30.1Very low70.2Confident206 Ų20675 Ų75100%1.01545%0.446SS*.  0142.20-6815874.500106.9
2S27.8Very low72.3Confident114 Ų11472.5 Ų72.580%0.79744%0.435SS*.  trans-66.1135.8170.8-170.50000108.6Q4S2-Q4 VanDerWaalsContact C-N 3.27Å; S2-Q4 PolarHBondContact O-N 2.69Å
3A37.5Very low74.1Confident95 Ų9569.5 Ų69.579%0.78542%0.417SS*.  trans-76.384.2175.700000108.9A5A3-A5 PolarHBondContact O-N 3.23Å
4Q50.9Low75.6Confident165 Ų16570.4 Ų70.477%0.77143%0.425SS*.  trans-52.9113.2156.6-149.777.618.700105.6S2 D6S2-Q4 VanDerWaalsContact C-N 3.27Å; S2-Q4 PolarHBondContact O-N 2.69Å; Q4-D6 PolarHBondContact O-N 2.8Å
5A59.7Low76.7Confident69 Ų6971.9 Ų71.957%0.5744%0.441SS*.  trans-55.3134.6-17300000109.6A3 L7A3-A5 PolarHBondContact O-N 3.23Å; A5-L7 HydrophobicContact CB-CD2 4.39Å; A5-L7 WeakPolarHBondContact O-CG 3.35Å; A5-L7 PolarHBondContact O-N 3.16Å
6D85.6Confident77.9Confident84 Ų8468 Ų6845%0.44942%0.417SS..  trans-60.7111.6176.5-80.1-30.4000107.9Q4 S15 P16 L26Q4-D6 PolarHBondContact O-N 2.8Å; D6-S15 PolarHBondContact O-N 3.42Å; D6-P16 HydrophobicContact CB-CG 4.02Å; D6-P16 WeakPolarHBondContact O-CD 3.37Å; D6-L26 HydrophobicContact CB-CD1 3.96Å; D6-L26 VanDerWaalsContact OD1-CD1 3.23Å; D6-L26 WeakPolarHBondContact OD1-CD1 3.32Å
7L94.2Very high78.9Confident81 Ų8169.2 Ų69.242%0.42442%0.415SS..BIsolated β-bridgetrans-115147.1177.4-60.8-170.2000109.7A5 A9 P14A5-L7 HydrophobicContact CB-CD2 4.39Å; A5-L7 WeakPolarHBondContact O-CG 3.35Å; A5-L7 PolarHBondContact O-N 3.16Å; L7-A9 PolarHBondContact O-N 3.42Å; L7-P14 HydrophobicContact CD2-CB 3.96Å
8C97Very high79.9Confident1 Ų168.1 Ų68.11%0.00740%0.402CS..  trans-57.2122.4166.8179.70000109.8D10 C11 S12 T13 C28C8-D10 PolarHBondContact O-N 3.03Å; C8-C11 VanDerWaalsContact SG-SG 3.65Å; C8-S12 VanDerWaalsContact O-CA 3.26Å; C8-S12 WeakPolarHBondContact O-CA 3.09Å; C8-S12 PolarHBondContact O-N 3.39Å; C8-T13 WeakPolarHBondContact CB-O 3.38Å; C8-T13 PolarHBondContact N-O 3.4Å; C8-C28 HydrophobicContact CB-CB 3.95Å; C8-C28 PolarHBondContact SG-N 3.33Å
9A96.2Very high80.8Confident10 Ų1064.5 Ų64.58%0.08338%0.381CS..THydrogen-bonded Turntrans-64.4-15.3-174.900000114.1L7 V25 L26 N70 K100 K118L7-A9 PolarHBondContact O-N 3.42Å; A9-V25 HydrophobicContact CB-CB 3.59Å; A9-V25 HydrophobicContact CB-CG1 3.91Å; A9-V25 HydrophobicContact CB-CG2 4.27Å; A9-L26 WeakPolarHBondContact CB-O 3.43Å; A9-L26 PolarHBondContact N-O 2.95Å; A9-N70 HydrophobicContact CB-CB 4.47Å; A9-N70 PolarHBondContact O-OD1 3.39Å; A9-K100 WeakPolarHBondContact O-CE 3.46Å; A9-K100 PolarHBondContact O-NZ 2.88Å; A9-K118 PolarHBondContact O-NZ 3.39Å
10D97.1Very high81.6Confident0 Ų061.3 Ų61.30%036%0.362CS..THydrogen-bonded Turntrans-106.3-41-176.7-52.1-41.7000113.7C8 L27 C31 H35 K100 P101 F114 I115 K118 Y119C8-D10 PolarHBondContact O-N 3.03Å; D10-L27 WeakPolarHBondContact OD2-CD2 3.44Å; D10-C31 HydrophobicContact CB-CB 4.49Å; D10-H35 IonicContact OD2-CD2 3.44Å; D10-H35 IonicContact OD2-NE2 3.52Å; D10-H35 PolarHBondContact OD2-NE2 3.01Å; D10-H35 VanDerWaalsContact OD2-NE2 3.16Å; D10-K100 WeakPolarHBondContact O-CE 3.35Å; D10-K100 WeakPolarHBondContact O-CG 3.37Å; D10-P101 WeakPolarHBondContact O-CD 3.47Å; D10-P101 WeakPolarHBondContact O-CG 3.38Å; D10-F114 HydrophobicContact CB-CD1 4.41Å; D10-F114 HydrophobicContact CB-CE1 4.33Å; D10-F114 WeakPolarHBondContact O-CE1 3.24Å; D10-I115 HydrophobicContact CB-CD1 3.9Å; D10-I115 HydrophobicContact CB-CG1 3.8Å; D10-K118 WeakPolarHBondContact OD1-CE 3.39Å; D10-K118 IonicContact OD1-NZ 2.64Å; D10-K118 PolarHBondContact OD1-NZ 2.92Å; D10-Y119 WeakPolarHBondContact OD1-CE2 3.35Å; D10-Y119 PolarHBondContact OD1-OH 3.05Å
11C96.3Very high82.2Confident0 Ų058.4 Ų58.40%035%0.345CS..THydrogen-bonded Turntrans-122.511.2-177.170.60000114.7C8 T13 C31 P101 L102 P103 K111C8-C11 VanDerWaalsContact SG-SG 3.65Å; C11-T13 PolarHBondContact O-N 3.21Å; C11-T13 PolarHBondContact SG-OG1 3.38Å; C11-C31 PolarHBondContact SG-SG 3.39Å; C11-P101 CarbonylContact C-O 3.48Å; C11-P101 VanDerWaalsContact CA-O 3.3Å; C11-P101 WeakPolarHBondContact CA-O 3.43Å; C11-P101 HydrophobicContact CB-CB 4.46Å; C11-P101 HydrophobicContact CB-CG 4.15Å; C11-L102 CarbonylContact O-C 3.54Å; C11-P103 VanDerWaalsContact O-CD 3.26Å; C11-P103 WeakPolarHBondContact O-CD 3.21Å; C11-P103 WeakPolarHBondContact O-CG 3.34Å; C11-P103 VanDerWaalsContact O-N 3.13Å; C11-K111 HydrophobicContact CB-CD 4.29Å; C11-K111 HydrophobicContact CB-CG 4.31Å
12S95.5Very high85.3Confident45 Ų4549 Ų4932%0.31530%0.299SS..  trans58.512.7176.3-54.10000116.4C8C8-S12 VanDerWaalsContact O-CA 3.26Å; C8-S12 WeakPolarHBondContact O-CA 3.09Å; C8-S12 PolarHBondContact O-N 3.39Å
13T95.5Very high88.5Confident34 Ų3444.6 Ų44.621%0.20927%0.265CS..  trans-59.1128.4172.2-55.30000110.5C8 C11 C28C8-T13 WeakPolarHBondContact CB-O 3.38Å; C8-T13 PolarHBondContact N-O 3.4Å; C11-T13 PolarHBondContact O-N 3.21Å; C11-T13 PolarHBondContact SG-OG1 3.38Å; T13-C28 HydrophobicContact CG2-CB 4.13Å
14P94.3Very high91.3Very high81 Ų8140 Ų4053%0.52623%0.227SC..BIsolated β-bridgetrans-69.1160.8179.829.7-36.3000112.8L7L7-P14 HydrophobicContact CD2-CB 3.96Å
15S92.4Very high93.5Very high94 Ų9432.3 Ų32.366%0.65719%0.191SC*.SBendtrans54.455.3177.1-55.80000114D6 K17D6-S15 PolarHBondContact O-N 3.42Å; S15-K17 PolarHBondContact O-N 3.2Å
16P95.9Very high95.3Very high9 Ų929.3 Ų29.36%0.05817%0.166CC..  trans-59.2133.2174.228-35.8000111.1D6 L26 L27 L48D6-P16 HydrophobicContact CB-CG 4.02Å; D6-P16 WeakPolarHBondContact O-CD 3.37Å; P16-L26 HydrophobicContact CB-CB 3.87Å; P16-L26 HydrophobicContact CG-CB 3.51Å; P16-L26 HydrophobicContact CG-CD1 4.01Å; P16-L26 HydrophobicContact CG-CG 4.43Å; P16-L27 CarbonylContact C-O 3.58Å; P16-L27 WeakPolarHBondContact CA-O 3.26Å; P16-L27 WeakPolarHBondContact CB-O 3.43Å; P16-L48 VanDerWaalsContact O-CD1 3.28Å; P16-L48 WeakPolarHBondContact O-CD1 3.48Å
17K95.2Very high95.9Very high88 Ų8825.3 Ų25.338%0.38314%0.144SC..  trans-98.8-6.2-178.3-67.1174-171155.50113.8S15 L27 D29 H47 L48S15-K17 PolarHBondContact O-N 3.2Å; K17-L27 PolarHBondContact N-O 2.84Å; K17-D29 IonicContact NZ-OD2 3.56Å; K17-H47 CarbonylContact O-C 3.55Å; K17-H47 PolarHBondContact O-ND1 3.19Å; K17-H47 VanDerWaalsContact O-ND1 3.1Å; K17-L48 PolarHBondContact O-N 3.13Å
18W97Very high96Very high49 Ų4921.9 Ų21.919%0.18613%0.127CC..EExtended strand (participates in β ladder)trans-124.9167.7-175.8-57.782.1000110.7L26 L27 D29 V45 K46 H47W18-L26 CarbonylContact O-C 3.55Å; W18-L26 WeakPolarHBondContact O-CA 3.22Å; W18-L27 HydrophobicContact CB-CB 4.08Å; W18-L27 WeakPolarHBondContact CB-O 3.44Å; W18-L27 PolarHBondContact N-O 3.35Å; W18-L27 PolarHBondContact O-N 2.97Å; W18-D29 PolarHBondContact NE1-OD1 3.13Å; W18-V45 HydrophobicContact CD2-CG1 4.42Å; W18-V45 HydrophobicContact CE3-CG1 3.63Å; W18-V45 HydrophobicContact CZ3-CG1 4.2Å; W18-K46 CarbonylContact C-O 3.42Å; W18-K46 VanDerWaalsContact CA-O 3.29Å; W18-K46 WeakPolarHBondContact CA-O 3.45Å; W18-H47 HydrophobicContact CD2-CB 4.08Å; W18-H47 AromaticContact CE2-CD2 3.78Å; W18-H47 HydrophobicContact CE3-CB 3.72Å; W18-H47 HydrophobicContact CH2-CB 4.15Å; W18-H47 HydrophobicContact CZ2-CB 4.47Å; W18-H47 AromaticContact CZ2-CD2 3.69Å; W18-H47 HydrophobicContact CZ3-CB 3.77Å
19A97.1Very high96Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-144156.4169.300000111.6V25 L26 V45 K46 L48 W53 V61A19-V25 CarbonylContact C-O 3.57Å; A19-V25 WeakPolarHBondContact CA-O 3.48Å; A19-V25 WeakPolarHBondContact CB-O 3.08Å; A19-L26 HydrophobicContact CB-CD2 3.88Å; A19-V45 WeakPolarHBondContact O-CA 3.34Å; A19-K46 PolarHBondContact N-O 2.94Å; A19-K46 PolarHBondContact O-N 3.38Å; A19-L48 HydrophobicContact CB-CD2 3.98Å; A19-W53 HydrophobicContact CB-CH2 4.29Å; A19-V61 HydrophobicContact CB-CG1 3.62Å
20S96.5Very high96Very high0 Ų028.6 Ų28.60%016%0.159CC..EExtended strand (participates in β ladder)trans-102.8105166.7-1750000108.8R23 G24 V25 S43 Q44S20-R23 PolarHBondContact O-N 2.88Å; S20-R23 VanDerWaalsContact O-N 3.16Å; S20-R23 WeakPolarHBondContact OG-CG 3.44Å; S20-G24 PolarHBondContact O-N 2.82Å; S20-V25 PolarHBondContact N-O 3.23Å; S20-S43 WeakPolarHBondContact CB-OG 3.29Å; S20-S43 WeakPolarHBondContact OG-CB 3.22Å; S20-S43 PolarHBondContact OG-OG 3.21Å; S20-Q44 WeakPolarHBondContact CA-O 3.49Å
21V94.6Very high96Very high2 Ų228.6 Ų28.61%0.01216%0.159CC..G310 helixtrans-61.7-51.6-167.1-178.50000111.6R23 G24 Q44 K46 W53 Q57 M60 V61 A191V21-R23 PolarHBondContact O-N 3.21Å; V21-G24 PolarHBondContact O-N 3.17Å; V21-Q44 HydrophobicContact CB-CB 4.17Å; V21-Q44 PolarHBondContact N-O 3.39Å; V21-K46 HydrophobicContact CG2-CB 4.4Å; V21-K46 HydrophobicContact CG2-CD 3.79Å; V21-K46 HydrophobicContact CG2-CG 4.07Å; V21-W53 HydrophobicContact CG2-CH2 3.96Å; V21-W53 HydrophobicContact CG2-CZ3 4.07Å; V21-Q57 HydrophobicContact CG1-CG 4.09Å; V21-M60 HydrophobicContact CG1-CE 3.79Å; V21-V61 HydrophobicContact CB-CG2 4.31Å; V21-V61 HydrophobicContact CG1-CG2 3.94Å; V21-V61 HydrophobicContact CG2-CG2 4.45Å; V21-A191 HydrophobicContact CG1-CB 4.02Å
22N94.1Very high96Very high7 Ų728.6 Ų28.64%0.03716%0.159CC..G310 helixtrans-70.5-10.6179.468-53.7000114I42 S43 Q44 A191 Y192N22-I42 PolarHBondContact ND2-O 3.25Å; N22-S43 WeakPolarHBondContact OD1-CA 3.36Å; N22-Q44 HydrophobicContact CB-CG 4.42Å; N22-Q44 PolarHBondContact OD1-N 2.85Å; N22-A191 HydrophobicContact CB-CB 4.41Å; N22-Y192 HydrophobicContact CB-CD2 4.5Å; N22-Y192 HydrophobicContact CB-CE2 4.15Å; N22-Y192 WeakPolarHBondContact O-CE2 3.45Å; N22-Y192 VanDerWaalsContact O-CZ 3.23Å; N22-Y192 PolarHBondContact O-OH 2.91Å
23R96.6Very high95.9Very high22 Ų2228.2 Ų28.28%0.08316%0.156CC..G310 helixtrans-102.5-13.6176.6-59.1-60.6176.7167.8-1.1113.3S20 V21 V25 I42 W73 Y119S20-R23 PolarHBondContact O-N 2.88Å; S20-R23 VanDerWaalsContact O-N 3.16Å; S20-R23 WeakPolarHBondContact OG-CG 3.44Å; V21-R23 PolarHBondContact O-N 3.21Å; R23-V25 HydrophobicContact CB-CG2 3.82Å; R23-I42 VanDerWaalsContact CZ-O 3.31Å; R23-I42 PolarHBondContact NE-O 2.79Å; R23-I42 PolarHBondContact NH2-O 3.13Å; R23-W73 HydrophobicContact CB-CZ2 4.31Å; R23-W73 VanDerWaalsContact CD-CZ2 3.43Å; R23-W73 HydrophobicContact CG-CZ2 4.47Å; R23-W73 PolarHBondContact O-NE1 3.36Å; R23-Y119 HydrophobicContact CB-CE1 4.3Å; R23-Y119 HydrophobicContact CG-CD1 4.09Å; R23-Y119 HydrophobicContact CG-CE1 4.14Å
24G96.2Very high95.9Very high0 Ų026.6 Ų26.60%015%0.146CC..THydrogen-bonded Turntrans6735.6-179.700000113.5S20 V21 L64 A65S20-G24 PolarHBondContact O-N 2.82Å; V21-G24 PolarHBondContact O-N 3.17Å; G24-L64 CarbonylContact O-C 3.56Å; G24-A65 WeakPolarHBondContact O-CA 3.3Å; G24-A65 PolarHBondContact O-N 2.99Å
25V97Very high95.9Very high3 Ų322.7 Ų22.72%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-134.4150.6-173.8-64.90000113.2A9 A19 S20 R23 L27 N70A9-V25 HydrophobicContact CB-CB 3.59Å; A9-V25 HydrophobicContact CB-CG1 3.91Å; A9-V25 HydrophobicContact CB-CG2 4.27Å; A19-V25 CarbonylContact C-O 3.57Å; A19-V25 WeakPolarHBondContact CA-O 3.48Å; A19-V25 WeakPolarHBondContact CB-O 3.08Å; S20-V25 PolarHBondContact N-O 3.23Å; R23-V25 HydrophobicContact CB-CG2 3.82Å; V25-L27 HydrophobicContact CG2-CD2 4.41Å; V25-N70 HydrophobicContact CG1-CB 4.08Å
26L97.8Very high95.7Very high6 Ų622.4 Ų22.43%0.03111%0.105CC..EExtended strand (participates in β ladder)trans-96.5147.7176.1-50.7-176.2000111.3D6 A9 P16 W18 A19 L48 V61 A65D6-L26 HydrophobicContact CB-CD1 3.96Å; D6-L26 VanDerWaalsContact OD1-CD1 3.23Å; D6-L26 WeakPolarHBondContact OD1-CD1 3.32Å; A9-L26 WeakPolarHBondContact CB-O 3.43Å; A9-L26 PolarHBondContact N-O 2.95Å; P16-L26 HydrophobicContact CB-CB 3.87Å; P16-L26 HydrophobicContact CG-CB 3.51Å; P16-L26 HydrophobicContact CG-CD1 4.01Å; P16-L26 HydrophobicContact CG-CG 4.43Å; W18-L26 CarbonylContact O-C 3.55Å; W18-L26 WeakPolarHBondContact O-CA 3.22Å; A19-L26 HydrophobicContact CB-CD2 3.88Å; L26-L48 HydrophobicContact CD2-CD1 4.33Å; L26-L48 HydrophobicContact CD2-CD2 4.16Å; L26-V61 HydrophobicContact CD2-CG1 4.21Å; L26-A65 HydrophobicContact CD1-CB 4.43Å; L26-A65 HydrophobicContact CD2-CB 4.44Å; L26-A65 HydrophobicContact CG-CB 3.95Å
27L97.4Very high95.3Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-136.4141.3-170.8-58175.8000112.1D10 P16 K17 W18 V25 C31 H35D10-L27 WeakPolarHBondContact OD2-CD2 3.44Å; P16-L27 CarbonylContact C-O 3.58Å; P16-L27 WeakPolarHBondContact CA-O 3.26Å; P16-L27 WeakPolarHBondContact CB-O 3.43Å; K17-L27 PolarHBondContact N-O 2.84Å; W18-L27 HydrophobicContact CB-CB 4.08Å; W18-L27 WeakPolarHBondContact CB-O 3.44Å; W18-L27 PolarHBondContact N-O 3.35Å; W18-L27 PolarHBondContact O-N 2.97Å; V25-L27 HydrophobicContact CG2-CD2 4.41Å; L27-C31 HydrophobicContact CD2-CB 4.44Å; L27-H35 HydrophobicContact CD1-CB 4.08Å
28C97.1Very high94.9Very high9 Ų923.2 Ų23.26%0.06111%0.11CC..  trans-75167.6167690000111.5C8 T13 E30 C31 S32C8-C28 HydrophobicContact CB-CB 3.95Å; C8-C28 PolarHBondContact SG-N 3.33Å; T13-C28 HydrophobicContact CG2-CB 4.13Å; C28-E30 VanDerWaalsContact C-N 3.3Å; C28-E30 PolarHBondContact O-N 3.03Å; C28-C31 PolarHBondContact O-N 3.46Å; C28-S32 WeakPolarHBondContact O-CB 3.3Å; C28-S32 PolarHBondContact O-N 3.23Å
29D95.5Very high94.1Very high73 Ų7321.8 Ų21.839%0.3911%0.11SC..Hα-helixtrans-53.6-44.4-179.4-65.7-74.1000112.6K17 W18 S32 S33K17-D29 IonicContact NZ-OD2 3.56Å; W18-D29 PolarHBondContact NE1-OD1 3.13Å; D29-S32 PolarHBondContact O-N 3.11Å; D29-S32 PolarHBondContact O-OG 3.21Å; D29-S33 PolarHBondContact O-N 2.95Å
30E97.2Very high93.3Very high78 Ų7825.1 Ų25.136%0.36412%0.123SC..Hα-helixtrans-63.8-52.8178.6-62.1-179.3163.300113.1C28 S32 S33 I34 V107 K111C28-E30 VanDerWaalsContact C-N 3.3Å; C28-E30 PolarHBondContact O-N 3.03Å; E30-S32 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 3.07Å; E30-S33 WeakPolarHBondContact O-CB 3.41Å; E30-S33 PolarHBondContact O-N 2.75Å; E30-S33 PolarHBondContact O-OG 2.91Å; E30-I34 PolarHBondContact O-N 3.39Å; E30-V107 HydrophobicContact CB-CG2 4.07Å; E30-V107 HydrophobicContact CG-CG2 3.96Å; E30-K111 IonicContact OE2-NZ 3.86Å; E30-K111 PolarHBondContact OE2-NZ 2.93Å
31C97.8Very high92.4Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-65.3-34-179.5-64.50000111D10 C11 L27 C28 S33 I34 H35 I115D10-C31 HydrophobicContact CB-CB 4.49Å; C11-C31 PolarHBondContact SG-SG 3.39Å; L27-C31 HydrophobicContact CD2-CB 4.44Å; C28-C31 PolarHBondContact O-N 3.46Å; C31-S33 PolarHBondContact O-N 3.37Å; C31-I34 PolarHBondContact O-N 3.16Å; C31-H35 PolarHBondContact O-CD2 3.1Å; C31-H35 VanDerWaalsContact O-CD2 3.27Å; C31-H35 PolarHBondContact O-N 3.07Å; C31-I115 HydrophobicContact CB-CD1 3.73Å
32S95.4Very high92.1Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-59.9-31.3172860000112.8C28 D29 E30 R36C28-S32 WeakPolarHBondContact O-CB 3.3Å; C28-S32 PolarHBondContact O-N 3.23Å; D29-S32 PolarHBondContact O-N 3.11Å; D29-S32 PolarHBondContact O-OG 3.21Å; E30-S32 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 3.07Å; S32-R36 WeakPolarHBondContact O-CG 3.42Å; S32-R36 PolarHBondContact O-N 2.83Å; S32-R36 PolarHBondContact O-NH1 3.45Å; S32-R36 PolarHBondContact OG-NH1 2.84Å; S32-R36 PolarHBondContact OG-NH2 3.42Å
33S93.3Very high92Very high37 Ų3727.8 Ų27.826%0.25914%0.136SC..Hα-helixtrans-69.1-40.2177.8800000112.2D29 E30 C31 R36 Q37D29-S33 PolarHBondContact O-N 2.95Å; E30-S33 WeakPolarHBondContact O-CB 3.41Å; E30-S33 PolarHBondContact O-N 2.75Å; E30-S33 PolarHBondContact O-OG 2.91Å; C31-S33 PolarHBondContact O-N 3.37Å; S33-R36 PolarHBondContact O-N 3.29Å; S33-Q37 PolarHBondContact O-N 2.95Å
34I94.8Very high91.7Very high0 Ų029.3 Ų29.30%014%0.144CC..Hα-helixtrans-69.4-43.1175-60.1156.3000109.7E30 C31 R36 Q37 L38 V107 K111 A112 I115E30-I34 PolarHBondContact O-N 3.39Å; C31-I34 PolarHBondContact O-N 3.16Å; I34-R36 PolarHBondContact O-N 3.12Å; I34-Q37 WeakPolarHBondContact O-CA 3.4Å; I34-Q37 VanDerWaalsContact O-CB 3.31Å; I34-Q37 WeakPolarHBondContact O-CB 3.37Å; I34-Q37 PolarHBondContact O-N 3.28Å; I34-L38 PolarHBondContact O-N 2.96Å; I34-V107 HydrophobicContact CD1-CG1 3.79Å; I34-V107 HydrophobicContact CG1-CG1 4.13Å; I34-K111 HydrophobicContact CD1-CB 3.97Å; I34-A112 HydrophobicContact CD1-CB 3.94Å; I34-A112 HydrophobicContact CG1-CB 4.12Å; I34-A112 HydrophobicContact CG2-CB 4.16Å; I34-I115 HydrophobicContact CB-CD1 4.24Å; I34-I115 HydrophobicContact CB-CG2 4.3Å; I34-I115 HydrophobicContact CD1-CD1 3.88Å; I34-I115 HydrophobicContact CG2-CB 3.97Å; I34-I115 HydrophobicContact CG2-CD1 4.34Å; I34-I115 HydrophobicContact CG2-CG2 3.52Å
35H94.9Very high91.5Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-59.2-33.2175.8-87.3-113.9000113.3D10 L27 C31 L38 S43 V45 Y119D10-H35 IonicContact OD2-CD2 3.44Å; D10-H35 IonicContact OD2-NE2 3.52Å; D10-H35 PolarHBondContact OD2-NE2 3.01Å; D10-H35 VanDerWaalsContact OD2-NE2 3.16Å; L27-H35 HydrophobicContact CD1-CB 4.08Å; C31-H35 PolarHBondContact O-CD2 3.1Å; C31-H35 VanDerWaalsContact O-CD2 3.27Å; C31-H35 PolarHBondContact O-N 3.07Å; H35-L38 PolarHBondContact O-N 3.14Å; H35-S43 VanDerWaalsContact ND1-CB 3.33Å; H35-S43 WeakPolarHBondContact ND1-CB 3.43Å; H35-S43 PolarHBondContact ND1-OG 2.86Å; H35-V45 HydrophobicContact CB-CG2 3.56Å; H35-Y119 AromaticContact CE1-CD2 3.51Å; H35-Y119 AromaticContact CE1-CE2 3.22Å; H35-Y119 WeakPolarHBondContact CE1-CE2 3.45Å; H35-Y119 AromaticContact CE1-CZ 3.65Å; H35-Y119 AromaticContact NE2-CD2 3.52Å; H35-Y119 AromaticContact NE2-CE2 3.13Å; H35-Y119 WeakPolarHBondContact NE2-CE2 3.25Å; H35-Y119 AromaticContact NE2-CZ 3.91Å
36R88.3Confident91.3Very high87 Ų8732.6 Ų32.633%0.32816%0.16SC..Hα-helixtrans-64.5-37171.5-76.6-177.2-73.3-83.30.9112.2S32 S33 I34 L38 G39 V45S32-R36 WeakPolarHBondContact O-CG 3.42Å; S32-R36 PolarHBondContact O-N 2.83Å; S32-R36 PolarHBondContact O-NH1 3.45Å; S32-R36 PolarHBondContact OG-NH1 2.84Å; S32-R36 PolarHBondContact OG-NH2 3.42Å; S33-R36 PolarHBondContact O-N 3.29Å; I34-R36 PolarHBondContact O-N 3.12Å; R36-L38 VanDerWaalsContact C-N 3.29Å; R36-L38 PolarHBondContact O-N 2.91Å; R36-G39 PolarHBondContact O-N 3.24Å; R36-V45 HydrophobicContact CG-CB 4.23Å; R36-V45 HydrophobicContact CG-CG1 4.35Å; R36-V45 HydrophobicContact CG-CG2 4.2Å
37Q88.5Confident91.1Very high100 Ų10032.6 Ų32.647%0.46716%0.16SC..Hα-helixtrans-65.9-27.7176-60.3167.612.200112.9S33 I34 G39S33-Q37 PolarHBondContact O-N 2.95Å; I34-Q37 WeakPolarHBondContact O-CA 3.4Å; I34-Q37 VanDerWaalsContact O-CB 3.31Å; I34-Q37 WeakPolarHBondContact O-CB 3.37Å; I34-Q37 PolarHBondContact O-N 3.28Å; Q37-G39 VanDerWaalsContact C-N 3.3Å
38L86.8Confident90.9Very high15 Ų1533.5 Ų33.58%0.07917%0.165CC..Hα-helixtrans-71.7-23.2175.1-55.2-177.1000113.1I34 H35 R36 H41 I42 I115 R116 L120I34-L38 PolarHBondContact O-N 2.96Å; H35-L38 PolarHBondContact O-N 3.14Å; R36-L38 VanDerWaalsContact C-N 3.29Å; R36-L38 PolarHBondContact O-N 2.91Å; L38-H41 PolarHBondContact O-CE1 2.84Å; L38-H41 VanDerWaalsContact O-CE1 3.26Å; L38-I42 HydrophobicContact CB-CB 3.96Å; L38-I42 HydrophobicContact CB-CD1 4.21Å; L38-I42 HydrophobicContact CB-CG2 4.12Å; L38-I42 HydrophobicContact CD1-CG2 3.94Å; L38-I115 HydrophobicContact CD1-CG2 3.92Å; L38-R116 HydrophobicContact CD2-CG 4.1Å; L38-L120 HydrophobicContact CD2-CB 4.42Å
39G78.9Confident90.6Very high18 Ų1840.2 Ų40.219%0.18620%0.195CC..  trans78.3159.5-177.800000114.9R36 Q37 H41 I42 S43R36-G39 PolarHBondContact O-N 3.24Å; Q37-G39 VanDerWaalsContact C-N 3.3Å; G39-H41 VanDerWaalsContact C-N 3.25Å; G39-H41 PolarHBondContact O-N 3.02Å; G39-H41 VanDerWaalsContact O-N 3.13Å; G39-I42 PolarHBondContact O-N 2.8Å; G39-S43 PolarHBondContact O-N 3.44Å
40R80.1Confident90Very high71 Ų7144.3 Ų44.327%0.26821%0.21SC..THydrogen-bonded Turntrans-60.8-27-168.9-64.7173.671.9-129.69.7114.8I42 S43 Q44 Y376 D377R40-I42 VanDerWaalsContact C-N 3.26Å; R40-I42 PolarHBondContact O-N 3.2Å; R40-S43 WeakPolarHBondContact CA-O 3.41Å; R40-Q44 HydrophobicContact CB-CG 4.49Å; R40-Q44 VanDerWaalsContact O-CG 3.31Å; R40-Q44 WeakPolarHBondContact O-CG 3.49Å; R40-Y376 VanDerWaalsContact NH1-CD1 3.27Å; R40-Y376 VanDerWaalsContact NH2-CZ 3.27Å; R40-D377 WeakPolarHBondContact CD-OD1 3.44Å; R40-D377 IonicContact CZ-OD1 3.28Å; R40-D377 IonicContact NH1-OD1 3.16Å; R40-D377 PolarHBondContact NH1-OD1 3.07Å
41H79.2Confident89.4Confident49 Ų4942.5 Ų42.523%0.22721%0.206CC..THydrogen-bonded Turntrans-66.8-24.7174.469.9-75.4000113.6L38 G39 N468L38-H41 PolarHBondContact O-CE1 2.84Å; L38-H41 VanDerWaalsContact O-CE1 3.26Å; G39-H41 VanDerWaalsContact C-N 3.25Å; G39-H41 PolarHBondContact O-N 3.02Å; G39-H41 VanDerWaalsContact O-N 3.13Å; H41-N468 HydrophobicContact CB-CB 4.27Å; H41-N468 VanDerWaalsContact CB-CG 3.42Å; H41-N468 WeakPolarHBondContact CB-ND2 3.27Å; H41-N468 WeakPolarHBondContact CB-OD1 3.15Å; H41-N468 VanDerWaalsContact CD2-CG 3.42Å; H41-N468 PolarHBondContact CD2-OD1 3.23Å; H41-N468 VanDerWaalsContact CG-OD1 3.22Å
42I87.7Confident88.6Confident14 Ų1450.7 Ų50.77%0.07224%0.237CC..THydrogen-bonded Turntrans-98.4-46.4173.2-54.2-174.9000110N22 R23 L38 G39 R40 Y119 L120N22-I42 PolarHBondContact ND2-O 3.25Å; R23-I42 VanDerWaalsContact CZ-O 3.31Å; R23-I42 PolarHBondContact NE-O 2.79Å; R23-I42 PolarHBondContact NH2-O 3.13Å; L38-I42 HydrophobicContact CB-CB 3.96Å; L38-I42 HydrophobicContact CB-CD1 4.21Å; L38-I42 HydrophobicContact CB-CG2 4.12Å; L38-I42 HydrophobicContact CD1-CG2 3.94Å; G39-I42 PolarHBondContact O-N 2.8Å; R40-I42 VanDerWaalsContact C-N 3.26Å; R40-I42 PolarHBondContact O-N 3.2Å; I42-Y119 WeakPolarHBondContact CG2-O 3.36Å; I42-L120 HydrophobicContact CD1-CB 4.09Å; I42-L120 HydrophobicContact CD1-CD1 3.55Å; I42-L120 HydrophobicContact CD1-CG 4.38Å
43S91.7Very high88.2Confident2 Ų252.4 Ų52.41%0.01424%0.243CC..  trans-144.3118.3-177.2171.60000113.1S20 N22 H35 G39 R40 V45S20-S43 WeakPolarHBondContact CB-OG 3.29Å; S20-S43 WeakPolarHBondContact OG-CB 3.22Å; S20-S43 PolarHBondContact OG-OG 3.21Å; N22-S43 WeakPolarHBondContact OD1-CA 3.36Å; H35-S43 VanDerWaalsContact ND1-CB 3.33Å; H35-S43 WeakPolarHBondContact ND1-CB 3.43Å; H35-S43 PolarHBondContact ND1-OG 2.86Å; G39-S43 PolarHBondContact O-N 3.44Å; R40-S43 WeakPolarHBondContact CA-O 3.41Å; S43-V45 PolarHBondContact O-N 3.34Å; S43-V45 WeakPolarHBondContact OG-CG2 3.25Å
44Q90.1Very high88Confident54 Ų5451.6 Ų51.625%0.25223%0.234SC..  trans-87.694.7174.1-63.7168.611.900110.1S20 V21 N22 R40 A191S20-Q44 WeakPolarHBondContact CA-O 3.49Å; V21-Q44 HydrophobicContact CB-CB 4.17Å; V21-Q44 PolarHBondContact N-O 3.39Å; N22-Q44 HydrophobicContact CB-CG 4.42Å; N22-Q44 PolarHBondContact OD1-N 2.85Å; R40-Q44 HydrophobicContact CB-CG 4.49Å; R40-Q44 VanDerWaalsContact O-CG 3.31Å; R40-Q44 WeakPolarHBondContact O-CG 3.49Å; Q44-A191 PolarHBondContact NE2-O 2.67Å; Q44-A191 PolarHBondContact OE1-O 3.5Å
45V92.9Very high87.8Confident33 Ų3356.6 Ų56.620%0.227%0.267CS..EExtended strand (participates in β ladder)trans-84.8125.3-174.3-176.80000111.6W18 A19 H35 R36 S43W18-V45 HydrophobicContact CD2-CG1 4.42Å; W18-V45 HydrophobicContact CE3-CG1 3.63Å; W18-V45 HydrophobicContact CZ3-CG1 4.2Å; A19-V45 WeakPolarHBondContact O-CA 3.34Å; H35-V45 HydrophobicContact CB-CG2 3.56Å; R36-V45 HydrophobicContact CG-CB 4.23Å; R36-V45 HydrophobicContact CG-CG1 4.35Å; R36-V45 HydrophobicContact CG-CG2 4.2Å; S43-V45 PolarHBondContact O-N 3.34Å; S43-V45 WeakPolarHBondContact OG-CG2 3.25Å
46K91.3Very high87.8Confident38 Ų3857.8 Ų57.817%0.16528%0.275CS..EExtended strand (participates in β ladder)trans-130.7148170.9-67.3-177.771.1165.30110.9W18 A19 V21 R52 W53W18-K46 CarbonylContact C-O 3.42Å; W18-K46 VanDerWaalsContact CA-O 3.29Å; W18-K46 WeakPolarHBondContact CA-O 3.45Å; A19-K46 PolarHBondContact N-O 2.94Å; A19-K46 PolarHBondContact O-N 3.38Å; V21-K46 HydrophobicContact CG2-CB 4.4Å; V21-K46 HydrophobicContact CG2-CD 3.79Å; V21-K46 HydrophobicContact CG2-CG 4.07Å; K46-R52 VanDerWaalsContact CE-O 3.25Å; K46-R52 WeakPolarHBondContact CE-O 3.16Å; K46-R52 PolarHBondContact NZ-O 3.23Å; K46-W53 HydrophobicContact CB-CH2 3.85Å; K46-W53 HydrophobicContact CB-CZ2 3.44Å; K46-W53 VanDerWaalsContact CB-CZ2 3.44Å; K46-W53 HydrophobicContact CD-CH2 4.29Å; K46-W53 HydrophobicContact CD-CZ2 4.39Å; K46-W53 HydrophobicContact CD-CZ3 4.35Å; K46-W53 HydrophobicContact CG-CZ2 4.5Å
47H93.6Very high88Confident6 Ų654.4 Ų54.43%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-86.4130174-170-46.5000109K17 W18 E49 K50 S51 W53K17-H47 CarbonylContact O-C 3.55Å; K17-H47 PolarHBondContact O-ND1 3.19Å; K17-H47 VanDerWaalsContact O-ND1 3.1Å; W18-H47 HydrophobicContact CD2-CB 4.08Å; W18-H47 AromaticContact CE2-CD2 3.78Å; W18-H47 HydrophobicContact CE3-CB 3.72Å; W18-H47 HydrophobicContact CH2-CB 4.15Å; W18-H47 HydrophobicContact CZ2-CB 4.47Å; W18-H47 AromaticContact CZ2-CD2 3.69Å; W18-H47 HydrophobicContact CZ3-CB 3.77Å; H47-E49 IonicContact CE1-OE2 2.71Å; H47-E49 PolarHBondContact ND1-N 2.94Å; H47-E49 PolarHBondContact O-N 3.26Å; H47-K50 HydrophobicContact CB-CB 4.19Å; H47-K50 PolarHBondContact ND1-N 2.6Å; H47-K50 WeakPolarHBondContact NE2-CD 3.25Å; H47-K50 WeakPolarHBondContact NE2-CE 3.5Å; H47-K50 PolarHBondContact NE2-NZ 3.45Å; H47-S51 PolarHBondContact N-OG 2.77Å; H47-S51 VanDerWaalsContact O-CB 3.26Å; H47-S51 WeakPolarHBondContact O-CB 3.5Å; H47-S51 PolarHBondContact O-N 2.73Å; H47-S51 PolarHBondContact O-OG 2.68Å; H47-W53 PolarHBondContact O-NE1 2.76Å
48L93.5Very high88.4Confident20 Ų2051.1 Ų51.111%0.10525%0.249CC..THydrogen-bonded Turntrans-58.5-48.1-173.4-65.3173.7000112.6P16 K17 A19 L26 W53 L58P16-L48 VanDerWaalsContact O-CD1 3.28Å; P16-L48 WeakPolarHBondContact O-CD1 3.48Å; K17-L48 PolarHBondContact O-N 3.13Å; A19-L48 HydrophobicContact CB-CD2 3.98Å; L26-L48 HydrophobicContact CD2-CD1 4.33Å; L26-L48 HydrophobicContact CD2-CD2 4.16Å; L48-W53 HydrophobicContact CD2-CZ2 4.06Å; L48-W53 PolarHBondContact O-NE1 3.35Å; L48-W53 VanDerWaalsContact O-NE1 3.13Å; L48-L58 HydrophobicContact CD2-CD1 3.86Å
49E90.2Very high88.8Confident149 Ų14954.1 Ų54.170%0.69627%0.271SS*.THydrogen-bonded Turntrans-89-36.1-178.4-58.1158.816200114.3H47H47-E49 IonicContact CE1-OE2 2.71Å; H47-E49 PolarHBondContact ND1-N 2.94Å; H47-E49 PolarHBondContact O-N 3.26Å
50K84.5Confident89.6Confident159 Ų15953.4 Ų53.469%0.69126%0.263SS*.THydrogen-bonded Turntrans-99.8-15.3-166.4-59.9-179.1-166.9132.60115.1H47H47-K50 HydrophobicContact CB-CB 4.19Å; H47-K50 PolarHBondContact ND1-N 2.6Å; H47-K50 WeakPolarHBondContact NE2-CD 3.25Å; H47-K50 WeakPolarHBondContact NE2-CE 3.5Å; H47-K50 PolarHBondContact NE2-NZ 3.45Å
51S83.9Confident90.4Very high41 Ų4150 Ų5029%0.28725%0.25SS..SBendtrans-87.6151.3173.7-61.70000110.4H47 W53H47-S51 PolarHBondContact N-OG 2.77Å; H47-S51 VanDerWaalsContact O-CB 3.26Å; H47-S51 WeakPolarHBondContact O-CB 3.5Å; H47-S51 PolarHBondContact O-N 2.73Å; H47-S51 PolarHBondContact O-OG 2.68Å; S51-W53 PolarHBondContact O-N 2.78Å
52R80.8Confident91.2Very high172 Ų17253.8 Ų53.865%0.64926%0.262SS*.  trans-67.9125.3168-172.7174.6173.8-162-4.9109.2K46 D256K46-R52 VanDerWaalsContact CE-O 3.25Å; K46-R52 WeakPolarHBondContact CE-O 3.16Å; K46-R52 PolarHBondContact NZ-O 3.23Å; R52-D256 IonicContact CZ-OD2 3.67Å; R52-D256 IonicContact NH1-OD2 2.82Å; R52-D256 PolarHBondContact NH1-OD2 3.14Å; R52-D256 IonicContact NH2-OD2 3.64Å; R52-D256 PolarHBondContact NH2-OD2 3.13Å
53W87.4Confident91.6Very high36 Ų3657.5 Ų57.514%0.13628%0.276CS..  trans-118.7139.5176.5-71.391000110.5A19 V21 K46 H47 L48 S51 Q57 L58 V61A19-W53 HydrophobicContact CB-CH2 4.29Å; V21-W53 HydrophobicContact CG2-CH2 3.96Å; V21-W53 HydrophobicContact CG2-CZ3 4.07Å; K46-W53 HydrophobicContact CB-CH2 3.85Å; K46-W53 HydrophobicContact CB-CZ2 3.44Å; K46-W53 VanDerWaalsContact CB-CZ2 3.44Å; K46-W53 HydrophobicContact CD-CH2 4.29Å; K46-W53 HydrophobicContact CD-CZ2 4.39Å; K46-W53 HydrophobicContact CD-CZ3 4.35Å; K46-W53 HydrophobicContact CG-CZ2 4.5Å; H47-W53 PolarHBondContact O-NE1 2.76Å; L48-W53 HydrophobicContact CD2-CZ2 4.06Å; L48-W53 PolarHBondContact O-NE1 3.35Å; L48-W53 VanDerWaalsContact O-NE1 3.13Å; S51-W53 PolarHBondContact O-N 2.78Å; W53-Q57 HydrophobicContact CE3-CB 4.34Å; W53-Q57 HydrophobicContact CE3-CG 4.09Å; W53-Q57 HydrophobicContact CZ3-CG 4.09Å; W53-L58 HydrophobicContact CB-CB 4.16Å; W53-L58 HydrophobicContact CD2-CB 4.01Å; W53-L58 HydrophobicContact CD2-CD1 4.05Å; W53-L58 HydrophobicContact CD2-CG 4.47Å; W53-L58 HydrophobicContact CE3-CB 3.75Å; W53-L58 HydrophobicContact CE3-CD1 4.12Å; W53-L58 HydrophobicContact CG-CB 4.21Å; W53-L58 HydrophobicContact CG-CD2 4.45Å; W53-L58 HydrophobicContact CH2-CD1 4.32Å; W53-L58 HydrophobicContact CZ2-CD1 4.26Å; W53-L58 HydrophobicContact CZ3-CB 4.41Å; W53-L58 HydrophobicContact CZ3-CD1 4.25Å; W53-V61 HydrophobicContact CH2-CG2 4.48Å; W53-V61 HydrophobicContact CZ3-CG2 4.14Å
54R88.6Confident91.9Very high19 Ų1957.4 Ų57.47%0.07228%0.275CS..  trans-77.1129.7159.3-61.9-176.1-69.396.314.7106.5S56 Q57 L58 E187 V246 D253R54-S56 VanDerWaalsContact C-N 3.26Å; R54-S56 PolarHBondContact O-N 3.2Å; R54-Q57 HydrophobicContact CB-CB 4.27Å; R54-Q57 WeakPolarHBondContact O-CB 3.34Å; R54-Q57 PolarHBondContact O-N 2.96Å; R54-L58 PolarHBondContact O-N 3.23Å; R54-E187 IonicContact CZ-OE1 3.18Å; R54-E187 IonicContact CZ-OE2 2.68Å; R54-E187 VanDerWaalsContact NH1-CD 3.25Å; R54-E187 IonicContact NH1-OE1 2.72Å; R54-E187 PolarHBondContact NH1-OE1 3.06Å; R54-E187 IonicContact NH1-OE2 3.75Å; R54-E187 PolarHBondContact NH1-OE2 2.79Å; R54-E187 VanDerWaalsContact NH1-OE2 3.1Å; R54-E187 IonicContact NH2-OE1 2.79Å; R54-E187 IonicContact NH2-OE2 2.78Å; R54-E187 PolarHBondContact NH2-OE2 2.94Å; R54-V246 PolarHBondContact NH1-O 3.25Å; R54-D253 IonicContact CZ-OD2 2.72Å; R54-D253 IonicContact NE-OD2 2.72Å; R54-D253 PolarHBondContact NE-OD2 2.96Å; R54-D253 IonicContact NH2-OD2 2.75Å
55P91.2Very high92.1Very high106 Ų10656.2 Ų56.269%0.68828%0.275SS*.Hα-helixtrans-57.8-38-169.1-28.535.7000113.7L58 S59P55-L58 PolarHBondContact O-N 2.87Å; P55-S59 WeakPolarHBondContact O-CB 3.49Å; P55-S59 PolarHBondContact O-N 3.34Å
56S93.7Very high92.1Very high25 Ų2558 Ų5818%0.17529%0.289CS..Hα-helixtrans-53.9-47.8169.543.80000113.5R54 S59 M60 E187 V246R54-S56 VanDerWaalsContact C-N 3.26Å; R54-S56 PolarHBondContact O-N 3.2Å; S56-S59 PolarHBondContact O-N 3.15Å; S56-M60 WeakPolarHBondContact O-CB 3.29Å; S56-M60 PolarHBondContact O-N 2.96Å; S56-E187 VanDerWaalsContact CB-OE1 3.23Å; S56-E187 WeakPolarHBondContact CB-OE1 3.39Å; S56-E187 PolarHBondContact OG-OE1 3.27Å; S56-V246 VanDerWaalsContact OG-CG2 3.3Å; S56-V246 WeakPolarHBondContact OG-CG2 3.49Å
57Q94.5Very high92.2Very high16 Ų1658.1 Ų58.18%0.07530%0.297CS..Hα-helixtrans-64.4-41.4178.8-171.4-178.176.500111.9V21 W53 R54 M60 V61 E187V21-Q57 HydrophobicContact CG1-CG 4.09Å; W53-Q57 HydrophobicContact CE3-CB 4.34Å; W53-Q57 HydrophobicContact CE3-CG 4.09Å; W53-Q57 HydrophobicContact CZ3-CG 4.09Å; R54-Q57 HydrophobicContact CB-CB 4.27Å; R54-Q57 WeakPolarHBondContact O-CB 3.34Å; R54-Q57 PolarHBondContact O-N 2.96Å; Q57-M60 HydrophobicContact CG-CE 4.02Å; Q57-V61 WeakPolarHBondContact O-CG2 3.32Å; Q57-V61 PolarHBondContact O-N 3.1Å; Q57-V61 VanDerWaalsContact O-N 3.16Å; Q57-E187 PolarHBondContact N-OE1 3.2Å
58L95.2Very high92.1Very high31 Ų3159.8 Ų59.816%0.16232%0.316CS..Hα-helixtrans-69.1-38.9176.5-179.258.9000111.6L48 W53 R54 P55 V61 R62L48-L58 HydrophobicContact CD2-CD1 3.86Å; W53-L58 HydrophobicContact CB-CB 4.16Å; W53-L58 HydrophobicContact CD2-CB 4.01Å; W53-L58 HydrophobicContact CD2-CD1 4.05Å; W53-L58 HydrophobicContact CD2-CG 4.47Å; W53-L58 HydrophobicContact CE3-CB 3.75Å; W53-L58 HydrophobicContact CE3-CD1 4.12Å; W53-L58 HydrophobicContact CG-CB 4.21Å; W53-L58 HydrophobicContact CG-CD2 4.45Å; W53-L58 HydrophobicContact CH2-CD1 4.32Å; W53-L58 HydrophobicContact CZ2-CD1 4.26Å; W53-L58 HydrophobicContact CZ3-CB 4.41Å; W53-L58 HydrophobicContact CZ3-CD1 4.25Å; R54-L58 PolarHBondContact O-N 3.23Å; P55-L58 PolarHBondContact O-N 2.87Å; L58-V61 PolarHBondContact O-N 3.12Å; L58-R62 HydrophobicContact CD1-CG 4.43Å; L58-R62 PolarHBondContact O-N 3.4Å
59S95.7Very high92.2Very high78 Ų7858.9 Ų58.955%0.54531%0.311SS..Hα-helixtrans-60.5-48.7174.7-176.30000111.6P55 S56 V61 R62 Y63P55-S59 WeakPolarHBondContact O-CB 3.49Å; P55-S59 PolarHBondContact O-N 3.34Å; S56-S59 PolarHBondContact O-N 3.15Å; S59-V61 PolarHBondContact O-N 3.23Å; S59-R62 PolarHBondContact O-N 2.97Å; S59-Y63 VanDerWaalsContact O-CB 3.31Å; S59-Y63 WeakPolarHBondContact O-CB 3.2Å; S59-Y63 PolarHBondContact O-N 3.13Å
60M96.7Very high92.4Very high3 Ų353 Ų532%0.01528%0.284CS..Hα-helixtrans-52.6-50.9173166.4-171.371.700112.2V21 S56 Q57 Y63 L64 L149 E187 L188 A191V21-M60 HydrophobicContact CG1-CE 3.79Å; S56-M60 WeakPolarHBondContact O-CB 3.29Å; S56-M60 PolarHBondContact O-N 2.96Å; Q57-M60 HydrophobicContact CG-CE 4.02Å; M60-Y63 PolarHBondContact O-N 3.38Å; M60-L64 HydrophobicContact CG-CD1 3.91Å; M60-L64 WeakPolarHBondContact O-CG 3.41Å; M60-L64 PolarHBondContact O-N 3.41Å; M60-L149 HydrophobicContact CB-CD1 4.31Å; M60-L149 HydrophobicContact CG-CD1 3.96Å; M60-E187 HydrophobicContact CB-CB 4.37Å; M60-E187 HydrophobicContact CE-CB 3.92Å; M60-E187 HydrophobicContact SD-CB 3.46Å; M60-E187 WeakPolarHBondContact SD-CB 3.41Å; M60-L188 WeakPolarHBondContact SD-CA 3.47Å; M60-L188 HydrophobicContact SD-CB 3.72Å; M60-L188 HydrophobicContact SD-CD1 4.5Å; M60-L188 PolarHBondContact SD-N 2.9Å; M60-A191 HydrophobicContact CE-CB 4.47Å
61V96.7Very high92.8Very high0 Ų046.6 Ų46.60%026%0.264CS..Hα-helixtrans-66.3-41.9-175170.20000111.3A19 V21 L26 W53 Q57 L58 S59 A65A19-V61 HydrophobicContact CB-CG1 3.62Å; V21-V61 HydrophobicContact CB-CG2 4.31Å; V21-V61 HydrophobicContact CG1-CG2 3.94Å; V21-V61 HydrophobicContact CG2-CG2 4.45Å; L26-V61 HydrophobicContact CD2-CG1 4.21Å; W53-V61 HydrophobicContact CH2-CG2 4.48Å; W53-V61 HydrophobicContact CZ3-CG2 4.14Å; Q57-V61 WeakPolarHBondContact O-CG2 3.32Å; Q57-V61 PolarHBondContact O-N 3.1Å; Q57-V61 VanDerWaalsContact O-N 3.16Å; L58-V61 PolarHBondContact O-N 3.12Å; S59-V61 PolarHBondContact O-N 3.23Å; V61-A65 WeakPolarHBondContact O-CB 3.38Å; V61-A65 PolarHBondContact O-N 3.38Å
62R95.8Very high93.2Very high128 Ų12848.1 Ų48.148%0.48326%0.264SS..Hα-helixtrans-65-41.7173.9-77.6-179.5166161.2-3112.1L58 S59 A65 S66L58-R62 HydrophobicContact CD1-CG 4.43Å; L58-R62 PolarHBondContact O-N 3.4Å; S59-R62 PolarHBondContact O-N 2.97Å; R62-A65 PolarHBondContact O-N 3.08Å; R62-S66 WeakPolarHBondContact O-CB 3.35Å; R62-S66 PolarHBondContact O-N 3.11Å; R62-S66 PolarHBondContact O-OG 3.27Å
63Y95.9Very high93.9Very high91 Ų9140 Ų4036%0.35723%0.233SC..Hα-helixtrans-58.3-54.6175.7176.1-95.1000111S59 M60 A65 S66 A67 L149 E150S59-Y63 VanDerWaalsContact O-CB 3.31Å; S59-Y63 WeakPolarHBondContact O-CB 3.2Å; S59-Y63 PolarHBondContact O-N 3.13Å; M60-Y63 PolarHBondContact O-N 3.38Å; Y63-A65 VanDerWaalsContact C-N 3.32Å; Y63-A65 PolarHBondContact O-N 3.05Å; Y63-S66 CarbonylContact O-C 3.58Å; Y63-S66 PolarHBondContact O-N 2.84Å; Y63-S66 VanDerWaalsContact O-N 3.09Å; Y63-S66 PolarHBondContact O-OG 3.34Å; Y63-A67 HydrophobicContact CE1-CB 4.41Å; Y63-A67 WeakPolarHBondContact O-CB 3.33Å; Y63-A67 PolarHBondContact O-N 3.01Å; Y63-L149 HydrophobicContact CD1-CB 4.3Å; Y63-L149 HydrophobicContact CD1-CD1 3.85Å; Y63-L149 HydrophobicContact CD1-CG 4.13Å; Y63-L149 HydrophobicContact CE1-CB 4.13Å; Y63-L149 HydrophobicContact CE1-CD1 4.31Å; Y63-L149 HydrophobicContact CE1-CG 4.08Å; Y63-E150 PolarHBondContact OH-OE1 3.23Å; Y63-E150 PolarHBondContact OH-OE2 3.35Å
64L96.6Very high94.2Very high0 Ų038.3 Ų38.30%023%0.227CC..Hα-helixtrans-58.6-40.7179.7-74.3171.4000112.7G24 M60 A67 G68 A69 L149 E150 L153 L188G24-L64 CarbonylContact O-C 3.56Å; M60-L64 HydrophobicContact CG-CD1 3.91Å; M60-L64 WeakPolarHBondContact O-CG 3.41Å; M60-L64 PolarHBondContact O-N 3.41Å; L64-A67 PolarHBondContact O-N 3.42Å; L64-G68 PolarHBondContact O-N 2.77Å; L64-A69 HydrophobicContact CB-CB 4.09Å; L64-A69 WeakPolarHBondContact O-CB 3.31Å; L64-A69 PolarHBondContact O-N 3.23Å; L64-L149 HydrophobicContact CD2-CB 3.68Å; L64-L149 HydrophobicContact CG-CB 4.3Å; L64-E150 HydrophobicContact CD2-CG 4.35Å; L64-L153 HydrophobicContact CD1-CD2 4.32Å; L64-L153 HydrophobicContact CD2-CB 4.46Å; L64-L153 HydrophobicContact CD2-CD2 3.95Å; L64-L188 HydrophobicContact CD1-CD1 4.31Å
65A95.5Very high94.2Very high29 Ų2940.2 Ų40.224%0.2424%0.237CC..Hα-helixtrans-62.2-47174.600000111.5G24 L26 V61 R62 Y63 A67 G68G24-A65 WeakPolarHBondContact O-CA 3.3Å; G24-A65 PolarHBondContact O-N 2.99Å; L26-A65 HydrophobicContact CD1-CB 4.43Å; L26-A65 HydrophobicContact CD2-CB 4.44Å; L26-A65 HydrophobicContact CG-CB 3.95Å; V61-A65 WeakPolarHBondContact O-CB 3.38Å; V61-A65 PolarHBondContact O-N 3.38Å; R62-A65 PolarHBondContact O-N 3.08Å; Y63-A65 VanDerWaalsContact C-N 3.32Å; Y63-A65 PolarHBondContact O-N 3.05Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.43Å; A65-G68 PolarHBondContact O-N 3.44Å
66S93.6Very high93.9Very high70 Ų7037.1 Ų37.149%0.4922%0.215SC..Hα-helixtrans-68.2-29.5178.774.70000113.8R62 Y63 G68R62-S66 WeakPolarHBondContact O-CB 3.35Å; R62-S66 PolarHBondContact O-N 3.11Å; R62-S66 PolarHBondContact O-OG 3.27Å; Y63-S66 CarbonylContact O-C 3.58Å; Y63-S66 PolarHBondContact O-N 2.84Å; Y63-S66 VanDerWaalsContact O-N 3.09Å; Y63-S66 PolarHBondContact O-OG 3.34Å; S66-G68 PolarHBondContact O-N 3Å
67A93.5Very high93.5Very high42 Ų4237.7 Ų37.735%0.34722%0.217SC..THydrogen-bonded Turntrans-78.80.9175.500000113Y63 L64 A65 E150Y63-A67 HydrophobicContact CE1-CB 4.41Å; Y63-A67 WeakPolarHBondContact O-CB 3.33Å; Y63-A67 PolarHBondContact O-N 3.01Å; L64-A67 PolarHBondContact O-N 3.42Å; A65-A67 VanDerWaalsContact C-N 3.34Å; A65-A67 PolarHBondContact O-N 3.43Å; A67-E150 HydrophobicContact CB-CG 3.85Å
68G91.4Very high92.5Very high41 Ų4142.2 Ų42.242%0.42323%0.234SC..THydrogen-bonded Turntrans79.626.5175.800000114.5L64 A65 S66 N70 G71L64-G68 PolarHBondContact O-N 2.77Å; A65-G68 PolarHBondContact O-N 3.44Å; S66-G68 PolarHBondContact O-N 3Å; G68-N70 PolarHBondContact O-N 2.65Å; G68-G71 PolarHBondContact O-N 3.02Å
69A94.4Very high91.2Very high0 Ų044.2 Ų44.20%024%0.242CC..THydrogen-bonded Turntrans-52.2-26.9177.100000114L64 G71 Y72 L153L64-A69 HydrophobicContact CB-CB 4.09Å; L64-A69 WeakPolarHBondContact O-CB 3.31Å; L64-A69 PolarHBondContact O-N 3.23Å; A69-G71 PolarHBondContact O-N 2.93Å; A69-Y72 HydrophobicContact CB-CD2 4.49Å; A69-Y72 WeakPolarHBondContact O-CB 3.36Å; A69-Y72 WeakPolarHBondContact O-CD2 3.45Å; A69-Y72 PolarHBondContact O-N 3.48Å; A69-Y72 VanDerWaalsContact O-N 3.12Å; A69-L153 HydrophobicContact CB-CD2 3.65Å
70N94.6Very high89.3Confident25 Ų2544.5 Ų44.513%0.13424%0.242CC..Hα-helixtrans-55.8-30.6171.1-17964.7000113.7A9 V25 G68 Y72 W73 E74 K100 K118A9-N70 HydrophobicContact CB-CB 4.47Å; A9-N70 PolarHBondContact O-OD1 3.39Å; V25-N70 HydrophobicContact CG1-CB 4.08Å; G68-N70 PolarHBondContact O-N 2.65Å; N70-Y72 PolarHBondContact O-N 3.48Å; N70-W73 PolarHBondContact O-N 3.03Å; N70-W73 VanDerWaalsContact O-N 3.09Å; N70-E74 PolarHBondContact ND2-OE2 3.36Å; N70-E74 PolarHBondContact O-N 3.31Å; N70-K100 PolarHBondContact ND2-NZ 2.94Å; N70-K118 WeakPolarHBondContact OD1-CE 3.42Å; N70-K118 PolarHBondContact OD1-NZ 2.95Å
71G92.1Very high87Confident26 Ų2652.2 Ų52.227%0.26828%0.28SS..Hα-helixtrans-63-22.9176.500000114.1G68 A69 H75G68-G71 PolarHBondContact O-N 3.02Å; A69-G71 PolarHBondContact O-N 2.93Å; G71-H75 VanDerWaalsContact O-CA 3.31Å; G71-H75 WeakPolarHBondContact O-CA 3.33Å; G71-H75 WeakPolarHBondContact O-CB 3.48Å; G71-H75 PolarHBondContact O-N 2.84Å
72Y92.3Very high84.7Confident73 Ų7358.6 Ų58.629%0.28631%0.314SS..Hα-helixtrans-72.1-43.1170.7-58.7-49.2000111.7A69 N70 E74 F125 E150 L153 Y154A69-Y72 HydrophobicContact CB-CD2 4.49Å; A69-Y72 WeakPolarHBondContact O-CB 3.36Å; A69-Y72 WeakPolarHBondContact O-CD2 3.45Å; A69-Y72 PolarHBondContact O-N 3.48Å; A69-Y72 VanDerWaalsContact O-N 3.12Å; N70-Y72 PolarHBondContact O-N 3.48Å; Y72-E74 VanDerWaalsContact C-N 3.28Å; Y72-E74 PolarHBondContact O-N 2.91Å; Y72-F125 WeakPolarHBondContact O-CD2 3.36Å; Y72-E150 HydrophobicContact CE2-CB 4.24Å; Y72-E150 WeakPolarHBondContact OH-CB 3.4Å; Y72-L153 HydrophobicContact CD2-CD2 4.36Å; Y72-Y154 AromaticContact CD1-CD2 3.92Å; Y72-Y154 HydrophobicContact CD1-CD2 3.92Å; Y72-Y154 HydrophobicContact CE1-CD2 4.29Å; Y72-Y154 HydrophobicContact CG-CD2 4.34Å
73W95.5Very high82.1Confident1 Ų156.3 Ų56.30%0.00432%0.317CS..Hα-helixtrans-74.6-15.8179.6-49.9122.4000113.2R23 N70 K118 Y119 L122 F124 F125 L153 A157R23-W73 HydrophobicContact CB-CZ2 4.31Å; R23-W73 VanDerWaalsContact CD-CZ2 3.43Å; R23-W73 HydrophobicContact CG-CZ2 4.47Å; R23-W73 PolarHBondContact O-NE1 3.36Å; N70-W73 PolarHBondContact O-N 3.03Å; N70-W73 VanDerWaalsContact O-N 3.09Å; W73-K118 HydrophobicContact CB-CG 4.15Å; W73-Y119 HydrophobicContact CB-CE1 4.11Å; W73-Y119 AromaticContact CD1-CE1 3.96Å; W73-Y119 HydrophobicContact CD2-CD1 4.4Å; W73-Y119 HydrophobicContact CD2-CE1 4.28Å; W73-Y119 HydrophobicContact CG-CD1 4.35Å; W73-Y119 AromaticContact CG-CE1 3.84Å; W73-Y119 HydrophobicContact CG-CE1 3.84Å; W73-L122 HydrophobicContact CE3-CD2 4.03Å; W73-L122 HydrophobicContact CZ3-CD2 3.95Å; W73-F124 WeakPolarHBondContact O-CB 3.41Å; W73-F125 AromaticContact CE3-CD2 3.7Å; W73-F125 HydrophobicContact CE3-CD2 3.7Å; W73-F125 HydrophobicContact CE3-CE2 4.25Å; W73-F125 AromaticContact CZ3-CD2 3.82Å; W73-F125 HydrophobicContact CZ3-CD2 3.82Å; W73-F125 AromaticContact CZ3-CE2 3.99Å; W73-F125 HydrophobicContact CZ3-CE2 3.99Å; W73-L153 HydrophobicContact CZ2-CD1 4.29Å; W73-A157 HydrophobicContact CH2-CB 3.45Å; W73-A157 VanDerWaalsContact CH2-CB 3.45Å; W73-A157 HydrophobicContact CZ2-CB 4.41Å; W73-A157 HydrophobicContact CZ3-CB 3.78Å
74E93.8Very high79.2Confident1 Ų155.3 Ų55.31%0.00533%0.334CS..THydrogen-bonded Turntrans-121.913.2-178.7-63.5-172159.700113.7N70 Y72 V76 L77 Y78 K100 F114 K118 F124N70-E74 PolarHBondContact ND2-OE2 3.36Å; N70-E74 PolarHBondContact O-N 3.31Å; Y72-E74 VanDerWaalsContact C-N 3.28Å; Y72-E74 PolarHBondContact O-N 2.91Å; E74-V76 VanDerWaalsContact C-N 3.31Å; E74-V76 PolarHBondContact O-N 3.15Å; E74-V76 VanDerWaalsContact O-N 3.13Å; E74-L77 HydrophobicContact CB-CD1 3.99Å; E74-L77 HydrophobicContact CB-CG 4.24Å; E74-L77 HydrophobicContact CG-CD1 4.1Å; E74-L77 VanDerWaalsContact O-CB 3.27Å; E74-L77 WeakPolarHBondContact O-CB 3.07Å; E74-L77 WeakPolarHBondContact O-CG 3.49Å; E74-L77 PolarHBondContact O-N 3.35Å; E74-Y78 HydrophobicContact CB-CD2 4.48Å; E74-Y78 HydrophobicContact CB-CE2 3.87Å; E74-Y78 WeakPolarHBondContact O-CD2 3.47Å; E74-K100 VanDerWaalsContact OE1-CE 3.23Å; E74-K100 WeakPolarHBondContact OE1-CE 3.45Å; E74-K100 IonicContact OE1-NZ 2.67Å; E74-K100 PolarHBondContact OE1-NZ 3.1Å; E74-K100 IonicContact OE2-NZ 2.94Å; E74-K100 PolarHBondContact OE2-NZ 3.4Å; E74-F114 WeakPolarHBondContact OE1-CZ 3.29Å; E74-K118 HydrophobicContact CG-CD 4.06Å; E74-K118 VanDerWaalsContact CG-CE 3.47Å; E74-K118 WeakPolarHBondContact OE1-CE 3.33Å; E74-K118 IonicContact OE1-NZ 2.7Å; E74-K118 PolarHBondContact OE1-NZ 3.34Å; E74-F124 CarbonylContact C-O 3.51Å
75H89.2Confident76.5Confident59 Ų5962.9 Ų62.927%0.27337%0.374SS..Hα-helixtrans-49.7-46.2-171.4-175.6-41.7000113.4G71 L77 Y78 E79 F124 K126G71-H75 VanDerWaalsContact O-CA 3.31Å; G71-H75 WeakPolarHBondContact O-CA 3.33Å; G71-H75 WeakPolarHBondContact O-CB 3.48Å; G71-H75 PolarHBondContact O-N 2.84Å; H75-L77 PolarHBondContact O-N 3.49Å; H75-Y78 PolarHBondContact O-N 3.42Å; H75-Y78 VanDerWaalsContact O-N 3.13Å; H75-E79 IonicContact CE1-OE1 3.82Å; H75-E79 PolarHBondContact O-N 2.94Å; H75-F124 PolarHBondContact N-O 3.01Å; H75-F124 VanDerWaalsContact N-O 3.11Å; H75-K126 HydrophobicContact CB-CB 4.06Å; H75-K126 WeakPolarHBondContact CE1-CD 3.35Å; H75-K126 WeakPolarHBondContact NE2-CD 3.25Å
76V85.6Confident73.3Confident40 Ų4068.9 Ų68.924%0.24240%0.402CS..Hα-helixtrans-63.5-25.7-177.3178.20000111.8E74 Y78 E79 P80 F124E74-V76 VanDerWaalsContact C-N 3.31Å; E74-V76 PolarHBondContact O-N 3.15Å; E74-V76 VanDerWaalsContact O-N 3.13Å; V76-Y78 VanDerWaalsContact C-N 3.29Å; V76-Y78 PolarHBondContact O-N 3.17Å; V76-E79 PolarHBondContact O-N 3.08Å; V76-P80 WeakPolarHBondContact O-CD 3.48Å; V76-F124 HydrophobicContact CB-CB 4.49Å; V76-F124 WeakPolarHBondContact CG2-O 3.47Å; V76-F124 PolarHBondContact N-O 3.21Å
77L85.1Confident70.4Confident38 Ų3869.6 Ų69.620%0.19941%0.407CS..Hα-helixtrans-70.5-26.2178.6-48.9-170.5000112.6E74 H75 H98 F114 F124E74-L77 HydrophobicContact CB-CD1 3.99Å; E74-L77 HydrophobicContact CB-CG 4.24Å; E74-L77 HydrophobicContact CG-CD1 4.1Å; E74-L77 VanDerWaalsContact O-CB 3.27Å; E74-L77 WeakPolarHBondContact O-CB 3.07Å; E74-L77 WeakPolarHBondContact O-CG 3.49Å; E74-L77 PolarHBondContact O-N 3.35Å; H75-L77 PolarHBondContact O-N 3.49Å; L77-H98 HydrophobicContact CD2-CB 3.62Å; L77-H98 WeakPolarHBondContact CD2-O 3.42Å; L77-F114 HydrophobicContact CD1-CE2 3.76Å; L77-F114 HydrophobicContact CD1-CZ 3.85Å; L77-F124 HydrophobicContact CD1-CD2 4.24Å; L77-F124 HydrophobicContact CD1-CG 4.41Å; L77-F124 HydrophobicContact CD2-CB 4.27Å; L77-F124 HydrophobicContact CD2-CD1 3.51Å; L77-F124 HydrophobicContact CD2-CD2 4.25Å; L77-F124 HydrophobicContact CD2-CE1 3.86Å; L77-F124 HydrophobicContact CD2-CG 3.74Å; L77-F124 HydrophobicContact CD2-CZ 4.37Å; L77-F124 HydrophobicContact CG-CB 4.24Å; L77-F124 HydrophobicContact CG-CD1 4.35Å; L77-F124 HydrophobicContact CG-CD2 4.42Å; L77-F124 HydrophobicContact CG-CG 4.08Å
78Y73.4Confident67.5Low111 Ų11174.9 Ų74.944%0.43543%0.429SS..Hα-helixtrans-89.5-17.2177.5-61.5-72.9000113.3E74 H75 V76 M81 L82E74-Y78 HydrophobicContact CB-CD2 4.48Å; E74-Y78 HydrophobicContact CB-CE2 3.87Å; E74-Y78 WeakPolarHBondContact O-CD2 3.47Å; H75-Y78 PolarHBondContact O-N 3.42Å; H75-Y78 VanDerWaalsContact O-N 3.13Å; V76-Y78 VanDerWaalsContact C-N 3.29Å; V76-Y78 PolarHBondContact O-N 3.17Å; Y78-M81 PolarHBondContact O-N 3.19Å; Y78-M81 VanDerWaalsContact O-N 3.08Å; Y78-L82 PolarHBondContact O-N 3.29Å
79E68.2Low64.6Low73 Ų7380.4 Ų80.434%0.34145%0.449SS..Hα-helixtrans-60.7-37.6-175.3-160.7147.4-119.100114.1H75 V76 M81 L82 S83 K126H75-E79 IonicContact CE1-OE1 3.82Å; H75-E79 PolarHBondContact O-N 2.94Å; V76-E79 PolarHBondContact O-N 3.08Å; E79-M81 VanDerWaalsContact C-N 3.25Å; E79-M81 PolarHBondContact O-N 3.08Å; E79-L82 PolarHBondContact O-N 3.09Å; E79-L82 VanDerWaalsContact O-N 3.08Å; E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.08Å; E79-K126 IonicContact OE1-NZ 2.67Å; E79-K126 PolarHBondContact OE1-NZ 3.16Å
80P54.6Low61.7Low83 Ų8391 Ų9154%0.53949%0.489SS..Hα-helixtrans-59.2-29.2172.6-26.836.3000115V76 S83V76-P80 WeakPolarHBondContact O-CD 3.48Å; P80-S83 PolarHBondContact O-OG 3.3Å
81M48.8Very low58.8Low166 Ų16695 Ų9582%0.81852%0.52SS*.Hα-helixtrans-78.3-23.2176.6-75-174.6155.500112.8Y78 E79Y78-M81 PolarHBondContact O-N 3.19Å; Y78-M81 VanDerWaalsContact O-N 3.08Å; E79-M81 VanDerWaalsContact C-N 3.25Å; E79-M81 PolarHBondContact O-N 3.08Å
82L48.1Very low56Low134 Ų13499.7 Ų99.770%0.70255%0.548SS*.Hα-helixtrans-81.9-23.5177.7-69.5165.9000112.8Y78 E79 G84Y78-L82 PolarHBondContact O-N 3.29Å; E79-L82 PolarHBondContact O-N 3.09Å; E79-L82 VanDerWaalsContact O-N 3.08Å; L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 3.36Å
83S41.1Very low53Low79 Ų79105.2 Ų105.255%0.55257%0.574SS**THydrogen-bonded Turntrans-77-1.7179.340.20000115.7E79 P80 L85E79-S83 PolarHBondContact O-N 2.95Å; E79-S83 PolarHBondContact O-OG 3.08Å; P80-S83 PolarHBondContact O-OG 3.3Å; S83-L85 PolarHBondContact O-N 3.08Å
84G36.7Very low49.9Very low70 Ų70109.1 Ų109.172%0.72261%0.606SS**THydrogen-bonded Turntrans-6918.5-168.400000118.2L82L82-G84 VanDerWaalsContact C-N 3.28Å; L82-G84 PolarHBondContact O-N 3.36Å
85L38.1Very low47.2Very low160 Ų160116.9 Ų116.984%0.83864%0.64SS**THydrogen-bonded Turntrans-130.4-4.2-175.7-94.4162.8000115.4S83S83-L85 PolarHBondContact O-N 3.08Å
86N29.9Very low45Very low154 Ų154121.2 Ų121.282%0.82466%0.66SS**SBendtrans-161.399.4175.1-94.3-62000112
87S31.9Very low43.4Very low85 Ų85124.7 Ų124.759%0.59468%0.683SS**  trans17076.1146.6175.50000112.3
88D31.9Very low42.4Very low153 Ų153127.8 Ų127.882%0.81870%0.697SS**SBendtrans-60.6139.6149.3-74.1-50.6000109
89N31.6Very low42.7Very low158 Ų158130 Ų13085%0.84571%0.709SS**  trans71.864.6-178.3-49-75.3000117.2
90R33Very low43.8Very low221 Ų221128.9 Ų128.983%0.83470%0.703SS**  trans-137.2141.1143.9-106.5170.2-170.8-166.80.6111.6S92R90-S92 PolarHBondContact O-N 3.42Å
91S33.3Very low45.7Very low111 Ų111125.2 Ų125.278%0.77668%0.678SS**  trans-81.8106-164.853.40000113.4K93S91-K93 VanDerWaalsContact C-N 3.32Å; S91-K93 PolarHBondContact O-N 2.87Å
92S33Very low47.8Very low124 Ų124121.2 Ų121.287%0.86766%0.66SS**  trans-69.173179.7-47.10000113.8R90R90-S92 PolarHBondContact O-N 3.42Å
93K30.5Very low50.1Low189 Ų189117.5 Ų117.582%0.82264%0.644SS**  trans-138.531.2179.4-76.5-164.9173.9-177.10115.3S91S91-K93 VanDerWaalsContact C-N 3.32Å; S91-K93 PolarHBondContact O-N 2.87Å
94A30.5Very low52.6Low82 Ų82119.7 Ų119.768%0.67865%0.654SS**SBendtrans-157.342.6172.100000113.9
95F36.1Very low55.4Low165 Ų165118.6 Ų118.672%0.72463%0.632SS**  trans-138.2108.5169.8-108.1-94.8000109.1
96H44Very low58.1Low150 Ų150114.3 Ų114.369%0.69461%0.614SS**  trans-68.1133.7154-78.5-65.9000107H98H96-H98 PolarHBondContact O-N 3.24Å
97P50.9Low61.2Low112 Ų112108.9 Ų108.973%0.72759%0.586SS**  trans-66.5113.1177.526.9-32.4000108.3K99P97-K99 PolarHBondContact O-N 3.47Å
98H65.1Low64.1Low103 Ų103109.4 Ų109.448%0.47758%0.579SS.*  trans-69.367.7171.3-66-81.3000109.5L77 H96 K100 F124L77-H98 HydrophobicContact CD2-CB 3.62Å; L77-H98 WeakPolarHBondContact CD2-O 3.42Å; H96-H98 PolarHBondContact O-N 3.24Å; H98-K100 PolarHBondContact O-N 3.09Å; H98-F124 HydrophobicContact CB-CE1 3.91Å; H98-F124 HydrophobicContact CB-CZ 4.42Å; H98-F124 AromaticContact CG-CE1 3.88Å; H98-F124 AromaticContact ND1-CE1 3.68Å
99K79.4Confident67Low159 Ų159104.3 Ų104.369%0.69155%0.554SS**PPolyproline II helixtrans-76.1127.1-175.5-166.7-179178.9-175.40109P97P97-K99 PolarHBondContact O-N 3.47Å
100K92Very high70Confident49 Ų4999.5 Ų99.521%0.21353%0.531CS..PPolyproline II helixtrans-56.2133170.3-172.5171.5-171.4155.80110.1A9 D10 N70 E74 H98 F114A9-K100 WeakPolarHBondContact O-CE 3.46Å; A9-K100 PolarHBondContact O-NZ 2.88Å; D10-K100 WeakPolarHBondContact O-CE 3.35Å; D10-K100 WeakPolarHBondContact O-CG 3.37Å; N70-K100 PolarHBondContact ND2-NZ 2.94Å; E74-K100 VanDerWaalsContact OE1-CE 3.23Å; E74-K100 WeakPolarHBondContact OE1-CE 3.45Å; E74-K100 IonicContact OE1-NZ 2.67Å; E74-K100 PolarHBondContact OE1-NZ 3.1Å; E74-K100 IonicContact OE2-NZ 2.94Å; E74-K100 PolarHBondContact OE2-NZ 3.4Å; H98-K100 PolarHBondContact O-N 3.09Å; K100-F114 HydrophobicContact CB-CE2 4.34Å; K100-F114 HydrophobicContact CB-CZ 4.17Å; K100-F114 HydrophobicContact CG-CE1 4.22Å; K100-F114 HydrophobicContact CG-CE2 4.49Å; K100-F114 HydrophobicContact CG-CZ 3.88Å
101P94Very high73Confident5 Ų589.1 Ų89.13%0.03249%0.491CS..PPolyproline II helixtrans-64.8152.5-178.325.4-33.9000112D10 C11 D105 T110 K111 F114D10-P101 WeakPolarHBondContact O-CD 3.47Å; D10-P101 WeakPolarHBondContact O-CG 3.38Å; C11-P101 CarbonylContact C-O 3.48Å; C11-P101 VanDerWaalsContact CA-O 3.3Å; C11-P101 WeakPolarHBondContact CA-O 3.43Å; C11-P101 HydrophobicContact CB-CB 4.46Å; C11-P101 HydrophobicContact CB-CG 4.15Å; P101-D105 WeakPolarHBondContact CA-OD2 3.35Å; P101-D105 HydrophobicContact CB-CB 4.16Å; P101-D105 WeakPolarHBondContact CB-OD2 3.48Å; P101-T110 HydrophobicContact CB-CG2 4.33Å; P101-K111 HydrophobicContact CB-CG 3.91Å; P101-K111 HydrophobicContact CG-CG 4.12Å; P101-F114 VanDerWaalsContact CD-CD1 3.47Å; P101-F114 HydrophobicContact CG-CB 4.09Å; P101-F114 HydrophobicContact CG-CD1 3.84Å; P101-F114 HydrophobicContact CG-CE1 4.45Å; P101-F114 HydrophobicContact CG-CG 3.93Å
102L93.7Very high75.9Confident82 Ų8283.8 Ų83.843%0.42945%0.454SS..PPolyproline II helixtrans-83.2162175.9-69.2167.3000111.5C11 T104 D105 K111C11-L102 CarbonylContact O-C 3.54Å; L102-T104 PolarHBondContact O-N 2.96Å; L102-T104 VanDerWaalsContact O-N 3.14Å; L102-D105 PolarHBondContact N-OD2 3.18Å; L102-D105 PolarHBondContact O-N 2.92Å; L102-D105 VanDerWaalsContact O-N 3.14Å; L102-K111 WeakPolarHBondContact O-CE 3.24Å
103P95.3Very high78.8Confident56 Ų5680.7 Ų80.736%0.36443%0.428SS..THydrogen-bonded Turntrans-55.4-31.2173.3-2735.3000113.1C11 K111C11-P103 VanDerWaalsContact O-CD 3.26Å; C11-P103 WeakPolarHBondContact O-CD 3.21Å; C11-P103 WeakPolarHBondContact O-CG 3.34Å; C11-P103 VanDerWaalsContact O-N 3.13Å; P103-K111 PolarHBondContact O-NZ 2.96Å
104T94.8Very high81.9Confident126 Ų12672.5 Ų72.577%0.77339%0.392SS*.THydrogen-bonded Turntrans-89.3-8-178.247.20000115L102L102-T104 PolarHBondContact O-N 2.96Å; L102-T104 VanDerWaalsContact O-N 3.14Å
105D94.7Very high85.1Confident46 Ų4668.6 Ų68.625%0.24636%0.36CS..SBendtrans-67149.8-177.6-79.6-22.9000112P101 L102 T110 K111P101-D105 WeakPolarHBondContact CA-OD2 3.35Å; P101-D105 HydrophobicContact CB-CB 4.16Å; P101-D105 WeakPolarHBondContact CB-OD2 3.48Å; L102-D105 PolarHBondContact N-OD2 3.18Å; L102-D105 PolarHBondContact O-N 2.92Å; L102-D105 VanDerWaalsContact O-N 3.14Å; D105-T110 HydrophobicContact CB-CG2 4.13Å; D105-K111 HydrophobicContact CB-CG 4.44Å; D105-K111 WeakPolarHBondContact O-CD 3.21Å; D105-K111 WeakPolarHBondContact O-CE 3.41Å; D105-K111 PolarHBondContact O-NZ 3.34Å
106P94.6Very high87.9Confident71 Ų7164.3 Ų64.346%0.46134%0.339SS..  trans-66.3138.9-178.427.6-35.1000111.9H108 K111P106-H108 PolarHBondContact O-N 2.98Å; P106-K111 PolarHBondContact O-N 3.28Å
107V94.2Very high90.3Very high39 Ų3960.4 Ų60.424%0.23632%0.321CS..Iπ-helixtrans-55.1-42.6180-174.90000111.2E30 I34 A112E30-V107 HydrophobicContact CB-CG2 4.07Å; E30-V107 HydrophobicContact CG-CG2 3.96Å; I34-V107 HydrophobicContact CD1-CG1 3.79Å; I34-V107 HydrophobicContact CG1-CG1 4.13Å; V107-A112 WeakPolarHBondContact O-CB 3.35Å; V107-A112 PolarHBondContact O-N 3.11Å
108H92.8Very high92.4Very high96 Ų9655 Ų5544%0.44429%0.287SS..Iπ-helixtrans-126.5135.9170.9-63.8-72.4000109.6P106 A112P106-H108 PolarHBondContact O-N 2.98Å; H108-A112 WeakPolarHBondContact ND1-CB 3.36Å
109P93.4Very high93.8Very high47 Ų4750.3 Ų50.331%0.30526%0.264SS..Iπ-helixcis-78.5-31.6-2.530.8-33.4000113.8K111 A112 D113 V1050P109-K111 PolarHBondContact O-N 3.2Å; P109-A112 PolarHBondContact O-N 3.02Å; P109-A112 VanDerWaalsContact O-N 3.1Å; P109-D113 WeakPolarHBondContact CB-OD2 3.44Å; P109-D113 PolarHBondContact O-N 3.07Å; P109-V1050 HydrophobicContact CB-CG1 4.18Å; P109-V1050 HydrophobicContact CG-CG1 4.07Å
110T94.2Very high94.4Very high57 Ų5746.2 Ų46.235%0.3525%0.25SC..Iπ-helixtrans-54.6-58.2-157.7-47.40000115.1P101 D105 A112 F114P101-T110 HydrophobicContact CB-CG2 4.33Å; D105-T110 HydrophobicContact CB-CG2 4.13Å; T110-A112 VanDerWaalsContact C-N 3.33Å; T110-A112 PolarHBondContact O-N 3Å; T110-F114 PolarHBondContact O-N 3.45Å
111K96.2Very high94.3Very high2 Ų249.6 Ų49.61%0.00927%0.265CS..Iπ-helixtrans-65.4-38.2179.9-72.7166.9172.61560111.5C11 E30 I34 P101 L102 P103 D105 P106 P109 I115C11-K111 HydrophobicContact CB-CD 4.29Å; C11-K111 HydrophobicContact CB-CG 4.31Å; E30-K111 IonicContact OE2-NZ 3.86Å; E30-K111 PolarHBondContact OE2-NZ 2.93Å; I34-K111 HydrophobicContact CD1-CB 3.97Å; P101-K111 HydrophobicContact CB-CG 3.91Å; P101-K111 HydrophobicContact CG-CG 4.12Å; L102-K111 WeakPolarHBondContact O-CE 3.24Å; P103-K111 PolarHBondContact O-NZ 2.96Å; D105-K111 HydrophobicContact CB-CG 4.44Å; D105-K111 WeakPolarHBondContact O-CD 3.21Å; D105-K111 WeakPolarHBondContact O-CE 3.41Å; D105-K111 PolarHBondContact O-NZ 3.34Å; P106-K111 PolarHBondContact O-N 3.28Å; P109-K111 PolarHBondContact O-N 3.2Å; K111-I115 WeakPolarHBondContact O-CB 3.4Å; K111-I115 WeakPolarHBondContact O-CG1 3.48Å; K111-I115 PolarHBondContact O-N 3.33Å
112A94.4Very high94.2Very high0 Ų050.7 Ų50.70%027%0.27CS..Hα-helixtrans-67.8-39.3-179.300000114.2I34 V107 H108 P109 T110 R116I34-A112 HydrophobicContact CD1-CB 3.94Å; I34-A112 HydrophobicContact CG1-CB 4.12Å; I34-A112 HydrophobicContact CG2-CB 4.16Å; V107-A112 WeakPolarHBondContact O-CB 3.35Å; V107-A112 PolarHBondContact O-N 3.11Å; H108-A112 WeakPolarHBondContact ND1-CB 3.36Å; P109-A112 PolarHBondContact O-N 3.02Å; P109-A112 VanDerWaalsContact O-N 3.1Å; T110-A112 VanDerWaalsContact C-N 3.33Å; T110-A112 PolarHBondContact O-N 3Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 WeakPolarHBondContact O-CG 3.11Å; A112-R116 PolarHBondContact O-N 3.18Å; A112-R116 PolarHBondContact O-NE 3.47Å
113D94.8Very high93.9Very high58 Ų5848.6 Ų48.631%0.3127%0.269SS..Hα-helixtrans-70.7-41.1176.8-70.7-20.2000111.4P109 I115 R116 E117P109-D113 WeakPolarHBondContact CB-OD2 3.44Å; P109-D113 PolarHBondContact O-N 3.07Å; D113-I115 PolarHBondContact O-N 3.26Å; D113-R116 PolarHBondContact O-N 3.49Å; D113-R116 IonicContact OD1-CZ 3.39Å; D113-R116 IonicContact OD1-NE 3.5Å; D113-R116 PolarHBondContact OD1-NE 3.18Å; D113-R116 IonicContact OD1-NH2 2.68Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; D113-E117 WeakPolarHBondContact O-CB 3.47Å; D113-E117 PolarHBondContact O-N 3.08Å
114F95.9Very high93.7Very high17 Ų1746.3 Ų46.38%0.07525%0.253CS..Hα-helixtrans-58.6-46.8173-178.7-97.7000112.3D10 E74 L77 K100 P101 T110 E117 K118 F124D10-F114 HydrophobicContact CB-CD1 4.41Å; D10-F114 HydrophobicContact CB-CE1 4.33Å; D10-F114 WeakPolarHBondContact O-CE1 3.24Å; E74-F114 WeakPolarHBondContact OE1-CZ 3.29Å; L77-F114 HydrophobicContact CD1-CE2 3.76Å; L77-F114 HydrophobicContact CD1-CZ 3.85Å; K100-F114 HydrophobicContact CB-CE2 4.34Å; K100-F114 HydrophobicContact CB-CZ 4.17Å; K100-F114 HydrophobicContact CG-CE1 4.22Å; K100-F114 HydrophobicContact CG-CE2 4.49Å; K100-F114 HydrophobicContact CG-CZ 3.88Å; P101-F114 VanDerWaalsContact CD-CD1 3.47Å; P101-F114 HydrophobicContact CG-CB 4.09Å; P101-F114 HydrophobicContact CG-CD1 3.84Å; P101-F114 HydrophobicContact CG-CE1 4.45Å; P101-F114 HydrophobicContact CG-CG 3.93Å; T110-F114 PolarHBondContact O-N 3.45Å; F114-E117 PolarHBondContact O-N 3.44Å; F114-K118 HydrophobicContact CD1-CD 4.45Å; F114-K118 HydrophobicContact CE1-CD 3.73Å; F114-K118 HydrophobicContact CZ-CD 4.19Å; F114-K118 WeakPolarHBondContact O-CB 3.43Å; F114-K118 PolarHBondContact O-N 3.36Å; F114-F124 AromaticContact CD2-CE2 3.65Å; F114-F124 HydrophobicContact CD2-CE2 3.65Å; F114-F124 HydrophobicContact CD2-CZ 4.04Å; F114-F124 HydrophobicContact CE2-CD2 4.12Å; F114-F124 AromaticContact CE2-CE2 3.44Å; F114-F124 HydrophobicContact CE2-CE2 3.44Å; F114-F124 VanDerWaalsContact CE2-CE2 3.44Å; F114-F124 HydrophobicContact CE2-CZ 4.05Å; F114-F124 HydrophobicContact CG-CE2 4.4Å; F114-F124 HydrophobicContact CZ-CD2 4.4Å; F114-F124 HydrophobicContact CZ-CE2 4.06Å
115I96.4Very high93.5Very high1 Ų140.8 Ų40.81%0.00522%0.218CC..Hα-helixtrans-66.9-36.8179.7-75.9167.7000112D10 C31 I34 L38 K111 D113 Y119D10-I115 HydrophobicContact CB-CD1 3.9Å; D10-I115 HydrophobicContact CB-CG1 3.8Å; C31-I115 HydrophobicContact CB-CD1 3.73Å; I34-I115 HydrophobicContact CB-CD1 4.24Å; I34-I115 HydrophobicContact CB-CG2 4.3Å; I34-I115 HydrophobicContact CD1-CD1 3.88Å; I34-I115 HydrophobicContact CG2-CB 3.97Å; I34-I115 HydrophobicContact CG2-CD1 4.34Å; I34-I115 HydrophobicContact CG2-CG2 3.52Å; L38-I115 HydrophobicContact CD1-CG2 3.92Å; K111-I115 WeakPolarHBondContact O-CB 3.4Å; K111-I115 WeakPolarHBondContact O-CG1 3.48Å; K111-I115 PolarHBondContact O-N 3.33Å; D113-I115 PolarHBondContact O-N 3.26Å; I115-Y119 HydrophobicContact CG2-CD2 4.12Å; I115-Y119 WeakPolarHBondContact O-CD2 3.37Å; I115-Y119 PolarHBondContact O-N 3.39Å; I115-Y119 VanDerWaalsContact O-N 3.09Å
116R95.3Very high93.2Very high74 Ų7442.8 Ų42.828%0.27923%0.225SC..Iπ-helixtrans-62.7-49.7171.4-80.3-177-81.3-109.29.2111.5L38 A112 D113 K118 L120 F121L38-R116 HydrophobicContact CD2-CG 4.1Å; A112-R116 WeakPolarHBondContact O-CB 3.4Å; A112-R116 WeakPolarHBondContact O-CG 3.11Å; A112-R116 PolarHBondContact O-N 3.18Å; A112-R116 PolarHBondContact O-NE 3.47Å; D113-R116 PolarHBondContact O-N 3.49Å; D113-R116 IonicContact OD1-CZ 3.39Å; D113-R116 IonicContact OD1-NE 3.5Å; D113-R116 PolarHBondContact OD1-NE 3.18Å; D113-R116 IonicContact OD1-NH2 2.68Å; D113-R116 PolarHBondContact OD1-NH2 3.18Å; R116-K118 VanDerWaalsContact C-N 3.3Å; R116-K118 PolarHBondContact O-N 2.87Å; R116-L120 HydrophobicContact CB-CD2 4.49Å; R116-L120 HydrophobicContact CG-CD2 4.27Å; R116-L120 WeakPolarHBondContact O-CA 3.48Å; R116-L120 VanDerWaalsContact O-CB 3.3Å; R116-L120 WeakPolarHBondContact O-CB 3.37Å; R116-L120 PolarHBondContact O-N 2.74Å; R116-F121 HydrophobicContact CB-CE2 4.31Å; R116-F121 PolarHBondContact O-N 3.21Å
117E94.3Very high92.6Very high68 Ų6846.9 Ų46.932%0.31823%0.231SC..Iπ-helixtrans-61-42.1179.3-162.657.8-134.300111.5D113 F114 F121 L122 G123 F124D113-E117 WeakPolarHBondContact O-CB 3.47Å; D113-E117 PolarHBondContact O-N 3.08Å; F114-E117 PolarHBondContact O-N 3.44Å; E117-F121 WeakPolarHBondContact OE2-CD2 3.28Å; E117-L122 CarbonylContact O-C 3.56Å; E117-L122 WeakPolarHBondContact O-CA 3.39Å; E117-L122 PolarHBondContact O-N 3.48Å; E117-G123 PolarHBondContact O-N 3.28Å; E117-G123 WeakPolarHBondContact OE1-CA 3.33Å; E117-F124 HydrophobicContact CB-CE2 4.03Å; E117-F124 HydrophobicContact CB-CZ 3.8Å; E117-F124 HydrophobicContact CG-CE1 3.8Å; E117-F124 HydrophobicContact CG-CE2 4.16Å; E117-F124 HydrophobicContact CG-CZ 3.58Å
118K95.2Very high92.2Very high0 Ų047.6 Ų47.60%024%0.236CC..Iπ-helixtrans-65.5-46-178.5-175.3171.2175-1780114.6A9 D10 N70 W73 E74 F114 R116 F124A9-K118 PolarHBondContact O-NZ 3.39Å; D10-K118 WeakPolarHBondContact OD1-CE 3.39Å; D10-K118 IonicContact OD1-NZ 2.64Å; D10-K118 PolarHBondContact OD1-NZ 2.92Å; N70-K118 WeakPolarHBondContact OD1-CE 3.42Å; N70-K118 PolarHBondContact OD1-NZ 2.95Å; W73-K118 HydrophobicContact CB-CG 4.15Å; E74-K118 HydrophobicContact CG-CD 4.06Å; E74-K118 VanDerWaalsContact CG-CE 3.47Å; E74-K118 WeakPolarHBondContact OE1-CE 3.33Å; E74-K118 IonicContact OE1-NZ 2.7Å; E74-K118 PolarHBondContact OE1-NZ 3.34Å; F114-K118 HydrophobicContact CD1-CD 4.45Å; F114-K118 HydrophobicContact CE1-CD 3.73Å; F114-K118 HydrophobicContact CZ-CD 4.19Å; F114-K118 WeakPolarHBondContact O-CB 3.43Å; F114-K118 PolarHBondContact O-N 3.36Å; R116-K118 VanDerWaalsContact C-N 3.3Å; R116-K118 PolarHBondContact O-N 2.87Å; K118-F124 HydrophobicContact CB-CD2 3.87Å; K118-F124 HydrophobicContact CB-CE2 4.07Å; K118-F124 HydrophobicContact CG-CD2 4.26Å
119Y95.1Very high91.5Very high3 Ų355 Ų551%0.01226%0.26CS..Iπ-helixtrans-116.4-27-170.6-55.8-77.3000115.8D10 R23 H35 I42 W73 I115D10-Y119 WeakPolarHBondContact OD1-CE2 3.35Å; D10-Y119 PolarHBondContact OD1-OH 3.05Å; R23-Y119 HydrophobicContact CB-CE1 4.3Å; R23-Y119 HydrophobicContact CG-CD1 4.09Å; R23-Y119 HydrophobicContact CG-CE1 4.14Å; H35-Y119 AromaticContact CE1-CD2 3.51Å; H35-Y119 AromaticContact CE1-CE2 3.22Å; H35-Y119 WeakPolarHBondContact CE1-CE2 3.45Å; H35-Y119 AromaticContact CE1-CZ 3.65Å; H35-Y119 AromaticContact NE2-CD2 3.52Å; H35-Y119 AromaticContact NE2-CE2 3.13Å; H35-Y119 WeakPolarHBondContact NE2-CE2 3.25Å; H35-Y119 AromaticContact NE2-CZ 3.91Å; I42-Y119 WeakPolarHBondContact CG2-O 3.36Å; W73-Y119 HydrophobicContact CB-CE1 4.11Å; W73-Y119 AromaticContact CD1-CE1 3.96Å; W73-Y119 HydrophobicContact CD2-CD1 4.4Å; W73-Y119 HydrophobicContact CD2-CE1 4.28Å; W73-Y119 HydrophobicContact CG-CD1 4.35Å; W73-Y119 AromaticContact CG-CE1 3.84Å; W73-Y119 HydrophobicContact CG-CE1 3.84Å; I115-Y119 HydrophobicContact CG2-CD2 4.12Å; I115-Y119 WeakPolarHBondContact O-CD2 3.37Å; I115-Y119 PolarHBondContact O-N 3.39Å; I115-Y119 VanDerWaalsContact O-N 3.09Å
120L91.2Very high90.9Very high74 Ų7459.1 Ų59.139%0.38728%0.28SS..Iπ-helixtrans-89.2-50.3178162.566.9000110.7L38 I42 R116L38-L120 HydrophobicContact CD2-CB 4.42Å; I42-L120 HydrophobicContact CD1-CB 4.09Å; I42-L120 HydrophobicContact CD1-CD1 3.55Å; I42-L120 HydrophobicContact CD1-CG 4.38Å; R116-L120 HydrophobicContact CB-CD2 4.49Å; R116-L120 HydrophobicContact CG-CD2 4.27Å; R116-L120 WeakPolarHBondContact O-CA 3.48Å; R116-L120 VanDerWaalsContact O-CB 3.3Å; R116-L120 WeakPolarHBondContact O-CB 3.37Å; R116-L120 PolarHBondContact O-N 2.74Å
121F89.9Confident90.3Very high120 Ų12059 Ų5953%0.52628%0.279SS..Iπ-helixtrans-87.8-20.4177.5-56.5-51.2000113.1R116 E117 G123R116-F121 HydrophobicContact CB-CE2 4.31Å; R116-F121 PolarHBondContact O-N 3.21Å; E117-F121 WeakPolarHBondContact OE2-CD2 3.28Å; F121-G123 PolarHBondContact O-N 2.82Å
122L91.2Very high90.1Very high28 Ų2862.6 Ų62.615%0.14730%0.298CS..  trans59.328.2-178.5-63.2164000113W73 E117 F124 F125 R127W73-L122 HydrophobicContact CE3-CD2 4.03Å; W73-L122 HydrophobicContact CZ3-CD2 3.95Å; E117-L122 CarbonylContact O-C 3.56Å; E117-L122 WeakPolarHBondContact O-CA 3.39Å; E117-L122 PolarHBondContact O-N 3.48Å; L122-F124 PolarHBondContact O-N 2.94Å; L122-F124 VanDerWaalsContact O-N 3.15Å; L122-F125 HydrophobicContact CB-CB 4.14Å; L122-F125 HydrophobicContact CD2-CB 4.35Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.12Å; L122-R127 VanDerWaalsContact CD1-NH2 3.33Å
123G88.9Confident89.9Confident38 Ų3867.6 Ų67.639%0.39232%0.321SS..THydrogen-bonded Turntrans-63.4-20.9-174.200000114.8E117 F121E117-G123 PolarHBondContact O-N 3.28Å; E117-G123 WeakPolarHBondContact OE1-CA 3.33Å; F121-G123 PolarHBondContact O-N 2.82Å
124F90.9Very high89.7Confident8 Ų869.4 Ų69.44%0.03533%0.331CS..THydrogen-bonded Turntrans-99.1-1.9175.4-44-42.1000113.9W73 E74 H75 V76 L77 H98 F114 E117 K118 L122W73-F124 WeakPolarHBondContact O-CB 3.41Å; E74-F124 CarbonylContact C-O 3.51Å; H75-F124 PolarHBondContact N-O 3.01Å; H75-F124 VanDerWaalsContact N-O 3.11Å; V76-F124 HydrophobicContact CB-CB 4.49Å; V76-F124 WeakPolarHBondContact CG2-O 3.47Å; V76-F124 PolarHBondContact N-O 3.21Å; L77-F124 HydrophobicContact CD1-CD2 4.24Å; L77-F124 HydrophobicContact CD1-CG 4.41Å; L77-F124 HydrophobicContact CD2-CB 4.27Å; L77-F124 HydrophobicContact CD2-CD1 3.51Å; L77-F124 HydrophobicContact CD2-CD2 4.25Å; L77-F124 HydrophobicContact CD2-CE1 3.86Å; L77-F124 HydrophobicContact CD2-CG 3.74Å; L77-F124 HydrophobicContact CD2-CZ 4.37Å; L77-F124 HydrophobicContact CG-CB 4.24Å; L77-F124 HydrophobicContact CG-CD1 4.35Å; L77-F124 HydrophobicContact CG-CD2 4.42Å; L77-F124 HydrophobicContact CG-CG 4.08Å; H98-F124 HydrophobicContact CB-CE1 3.91Å; H98-F124 HydrophobicContact CB-CZ 4.42Å; H98-F124 AromaticContact CG-CE1 3.88Å; H98-F124 AromaticContact ND1-CE1 3.68Å; F114-F124 AromaticContact CD2-CE2 3.65Å; F114-F124 HydrophobicContact CD2-CE2 3.65Å; F114-F124 HydrophobicContact CD2-CZ 4.04Å; F114-F124 HydrophobicContact CE2-CD2 4.12Å; F114-F124 AromaticContact CE2-CE2 3.44Å; F114-F124 HydrophobicContact CE2-CE2 3.44Å; F114-F124 VanDerWaalsContact CE2-CE2 3.44Å; F114-F124 HydrophobicContact CE2-CZ 4.05Å; F114-F124 HydrophobicContact CG-CE2 4.4Å; F114-F124 HydrophobicContact CZ-CD2 4.4Å; F114-F124 HydrophobicContact CZ-CE2 4.06Å; E117-F124 HydrophobicContact CB-CE2 4.03Å; E117-F124 HydrophobicContact CB-CZ 3.8Å; E117-F124 HydrophobicContact CG-CE1 3.8Å; E117-F124 HydrophobicContact CG-CE2 4.16Å; E117-F124 HydrophobicContact CG-CZ 3.58Å; K118-F124 HydrophobicContact CB-CD2 3.87Å; K118-F124 HydrophobicContact CB-CE2 4.07Å; K118-F124 HydrophobicContact CG-CD2 4.26Å; L122-F124 PolarHBondContact O-N 2.94Å; L122-F124 VanDerWaalsContact O-N 3.15Å
125F91Very high89.6Confident9 Ų972.3 Ų72.34%0.03935%0.347CS..SBendtrans-91.6122-178.9-179.6-82.4000110.9Y72 W73 L122 R127 Y154 A157 L158Y72-F125 WeakPolarHBondContact O-CD2 3.36Å; W73-F125 AromaticContact CE3-CD2 3.7Å; W73-F125 HydrophobicContact CE3-CD2 3.7Å; W73-F125 HydrophobicContact CE3-CE2 4.25Å; W73-F125 AromaticContact CZ3-CD2 3.82Å; W73-F125 HydrophobicContact CZ3-CD2 3.82Å; W73-F125 AromaticContact CZ3-CE2 3.99Å; W73-F125 HydrophobicContact CZ3-CE2 3.99Å; L122-F125 HydrophobicContact CB-CB 4.14Å; L122-F125 HydrophobicContact CD2-CB 4.35Å; L122-F125 WeakPolarHBondContact O-CB 3.45Å; L122-F125 PolarHBondContact O-N 3.12Å; F125-R127 HydrophobicContact CD1-CG 3.8Å; F125-R127 HydrophobicContact CE1-CG 4.05Å; F125-R127 PolarHBondContact O-N 3.3Å; F125-R127 VanDerWaalsContact O-N 3.11Å; F125-Y154 HydrophobicContact CE1-CE2 4.34Å; F125-Y154 HydrophobicContact CE2-CD2 4.19Å; F125-Y154 HydrophobicContact CE2-CE2 4.22Å; F125-Y154 AromaticContact CZ-CD2 3.9Å; F125-Y154 HydrophobicContact CZ-CD2 3.9Å; F125-Y154 AromaticContact CZ-CE2 3.65Å; F125-Y154 HydrophobicContact CZ-CE2 3.65Å; F125-A157 HydrophobicContact CE2-CB 3.53Å; F125-A157 HydrophobicContact CZ-CB 3.62Å; F125-L158 HydrophobicContact CE1-CD2 3.82Å; F125-L158 HydrophobicContact CE1-CG 4.45Å; F125-L158 HydrophobicContact CZ-CD2 4.21Å; F125-L158 HydrophobicContact CZ-CG 4.37Å
126K87.8Confident89.5Confident89 Ų8972.6 Ų72.639%0.38735%0.349SS..  trans-78.699.3-175.5-170.7170.5-177.9172.40112.5H75 E79 Y154H75-K126 HydrophobicContact CB-CB 4.06Å; H75-K126 WeakPolarHBondContact CE1-CD 3.35Å; H75-K126 WeakPolarHBondContact NE2-CD 3.25Å; E79-K126 IonicContact OE1-NZ 2.67Å; E79-K126 PolarHBondContact OE1-NZ 3.16Å; K126-Y154 PolarHBondContact O-OH 2.83Å
127R82.3Confident89.5Confident157 Ų15769.7 Ų69.759%0.59234%0.339SS*.  trans-81.6136.3174-66.7-174.2166.8168.3-4.7112.3L122 F125L122-R127 VanDerWaalsContact CD1-NH2 3.33Å; F125-R127 HydrophobicContact CD1-CG 3.8Å; F125-R127 HydrophobicContact CE1-CG 4.05Å; F125-R127 PolarHBondContact O-N 3.3Å; F125-R127 VanDerWaalsContact O-N 3.11Å
128P84.1Confident89.6Confident54 Ų5470.3 Ų70.335%0.35134%0.342SS..  trans-60.1145.2164.6-21.432.9000111.6N130 V131 L158P128-N130 VanDerWaalsContact C-N 3.31Å; P128-N130 PolarHBondContact O-N 2.61Å; P128-V131 HydrophobicContact CB-CG2 3.98Å; P128-V131 HydrophobicContact CG-CG2 4.1Å; P128-L158 HydrophobicContact CG-CD1 4.39Å; P128-L158 HydrophobicContact CG-CD2 4.15Å
129R78.4Confident89.6Confident251 Ų25175.2 Ų75.295%0.94737%0.365SS*.SBendtrans-65.9-30-178-72.3-176.7-72.2-159-3114.1
130N80.9Confident89.7Confident133 Ų13375.1 Ų75.171%0.71136%0.364SS*.SBendtrans-123.6128.9167.5-65.5-15.5000107.1P128P128-N130 VanDerWaalsContact C-N 3.31Å; P128-N130 PolarHBondContact O-N 2.61Å
131V82.7Confident90Very high54 Ų5471.8 Ų71.833%0.32735%0.347SS..  trans-121.2115169.1177.60000107P128 L136 L158P128-V131 HydrophobicContact CB-CG2 3.98Å; P128-V131 HydrophobicContact CG-CG2 4.1Å; V131-L136 HydrophobicContact CG1-CD2 3.94Å; V131-L158 HydrophobicContact CG2-CD2 4.45Å
132N91.1Very high90.3Very high79 Ų7968.3 Ų68.342%0.42234%0.34SS..  trans-87.9116.7168.2-179.49.3000108.4D134 D135 L136N132-D134 VanDerWaalsContact C-N 3.28Å; N132-D134 PolarHBondContact O-N 3.14Å; N132-D134 PolarHBondContact OD1-N 3.02Å; N132-D134 VanDerWaalsContact OD1-N 3.13Å; N132-D135 HydrophobicContact CB-CB 4.15Å; N132-D135 WeakPolarHBondContact CB-OD2 3.15Å; N132-D135 PolarHBondContact ND2-OD1 3.42Å; N132-D135 PolarHBondContact ND2-OD2 2.81Å; N132-D135 PolarHBondContact O-N 2.84Å; N132-L136 VanDerWaalsContact O-CB 3.25Å; N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 PolarHBondContact O-N 3.28Å
133H89.8Confident90.5Very high104 Ų10467.7 Ų67.748%0.48134%0.338SS..Hα-helixtrans-63.6-32.7-180-73.5-76.6000112.4L136 N137 G159H133-L136 PolarHBondContact O-N 3.4Å; H133-N137 WeakPolarHBondContact O-CB 3.27Å; H133-N137 PolarHBondContact O-N 2.95Å; H133-N137 PolarHBondContact O-ND2 2.83Å; H133-G159 PolarHBondContact ND1-O 3.35Å
134D91.3Very high90.9Very high96 Ų9665.9 Ų65.951%0.51332%0.319SS..Hα-helixtrans-71.6-37.9179.9-70.4-31.7000112.3N132 Q138N132-D134 VanDerWaalsContact C-N 3.28Å; N132-D134 PolarHBondContact O-N 3.14Å; N132-D134 PolarHBondContact OD1-N 3.02Å; N132-D134 VanDerWaalsContact OD1-N 3.13Å; D134-Q138 WeakPolarHBondContact O-CB 3.41Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 3.19Å; D134-Q138 VanDerWaalsContact O-N 3.08Å; D134-Q138 PolarHBondContact O-NE2 3.22Å
135D92.8Very high91.2Very high78 Ų7871 Ų7142%0.41734%0.338SS..Hα-helixtrans-68.4-40.9172.7-62.9-30.9000111N132 Q138 Q139N132-D135 HydrophobicContact CB-CB 4.15Å; N132-D135 WeakPolarHBondContact CB-OD2 3.15Å; N132-D135 PolarHBondContact ND2-OD1 3.42Å; N132-D135 PolarHBondContact ND2-OD2 2.81Å; N132-D135 PolarHBondContact O-N 2.84Å; D135-Q138 PolarHBondContact O-N 2.77Å; D135-Q139 WeakPolarHBondContact O-CB 3.12Å; D135-Q139 VanDerWaalsContact O-CG 3.22Å; D135-Q139 WeakPolarHBondContact O-CG 3.46Å; D135-Q139 PolarHBondContact O-N 3.19Å; D135-Q139 PolarHBondContact O-NE2 2.9Å
136L94.5Very high91.3Very high7 Ų773.9 Ų73.94%0.03736%0.357CS..Hα-helixtrans-62.8-42.1178.2-171.376.8000111.8V131 N132 H133 Q139 L140 L155 L158 A160V131-L136 HydrophobicContact CG1-CD2 3.94Å; N132-L136 VanDerWaalsContact O-CB 3.25Å; N132-L136 WeakPolarHBondContact O-CB 3.29Å; N132-L136 PolarHBondContact O-N 3.28Å; H133-L136 PolarHBondContact O-N 3.4Å; L136-Q139 PolarHBondContact O-N 3.26Å; L136-L140 PolarHBondContact O-N 3.06Å; L136-L155 HydrophobicContact CD1-CB 4.48Å; L136-L155 HydrophobicContact CD1-CD2 3.53Å; L136-L155 HydrophobicContact CG-CD2 4.46Å; L136-L158 HydrophobicContact CD1-CB 3.84Å; L136-L158 HydrophobicContact CD1-CD1 3.78Å; L136-L158 HydrophobicContact CD1-CG 4.48Å; L136-L158 HydrophobicContact CD2-CB 3.83Å; L136-L158 HydrophobicContact CG-CB 4.48Å; L136-A160 HydrophobicContact CD2-CB 4.03Å; L136-A160 VanDerWaalsContact CD2-N 3.32Å; L136-A160 HydrophobicContact CG-CB 3.94Å
137N96Very high91.5Very high13 Ų1371.5 Ų71.57%0.0736%0.358CS..Hα-helixtrans-65-42.2175.5-75.2-21.3000112.1H133 L140 H141 N161 F164H133-N137 WeakPolarHBondContact O-CB 3.27Å; H133-N137 PolarHBondContact O-N 2.95Å; H133-N137 PolarHBondContact O-ND2 2.83Å; N137-L140 PolarHBondContact O-N 2.96Å; N137-H141 PolarHBondContact O-N 3.49Å; N137-N161 PolarHBondContact OD1-N 3.08Å; N137-F164 HydrophobicContact CB-CB 4.04Å; N137-F164 HydrophobicContact CB-CD1 3.74Å; N137-F164 HydrophobicContact CB-CD2 3.64Å; N137-F164 HydrophobicContact CB-CE1 3.97Å; N137-F164 HydrophobicContact CB-CE2 3.88Å; N137-F164 HydrophobicContact CB-CG 3.55Å; N137-F164 HydrophobicContact CB-CZ 4.03Å
138Q95.5Very high92.1Very high82 Ų8267 Ų6738%0.38335%0.348SS..Hα-helixtrans-67.2-36.8174.6-73.1171.196.500112.3D134 D135 H141 A142 F164D134-Q138 WeakPolarHBondContact O-CB 3.41Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 3.19Å; D134-Q138 VanDerWaalsContact O-N 3.08Å; D134-Q138 PolarHBondContact O-NE2 3.22Å; D135-Q138 PolarHBondContact O-N 2.77Å; Q138-H141 WeakPolarHBondContact O-CB 3.37Å; Q138-H141 PolarHBondContact O-N 2.91Å; Q138-A142 PolarHBondContact O-N 3.48Å; Q138-A142 VanDerWaalsContact O-N 3.11Å; Q138-F164 HydrophobicContact CG-CE1 4.02Å; Q138-F164 HydrophobicContact CG-CZ 3.93Å
139Q96.1Very high92.7Very high103 Ų10364.9 Ų64.948%0.48133%0.333SS..Hα-helixtrans-62.6-44.1173.3-75.3165.854.600111.5D135 L136 H141 A142 S143 L155D135-Q139 WeakPolarHBondContact O-CB 3.12Å; D135-Q139 VanDerWaalsContact O-CG 3.22Å; D135-Q139 WeakPolarHBondContact O-CG 3.46Å; D135-Q139 PolarHBondContact O-N 3.19Å; D135-Q139 PolarHBondContact O-NE2 2.9Å; L136-Q139 PolarHBondContact O-N 3.26Å; Q139-H141 PolarHBondContact O-N 2.77Å; Q139-A142 PolarHBondContact O-N 3.19Å; Q139-A142 VanDerWaalsContact O-N 3.15Å; Q139-S143 PolarHBondContact O-N 2.71Å; Q139-L155 HydrophobicContact CB-CD1 4.07Å; Q139-L155 HydrophobicContact CB-CD2 3.91Å
140L97.5Very high93.5Very high0 Ų054.5 Ų54.50%030%0.296CS..Hα-helixtrans-63.8-39.7174.9-177.967.4000111.9L136 N137 A142 S143 V144 L155 L156 A160 P173 L189L136-L140 PolarHBondContact O-N 3.06Å; N137-L140 PolarHBondContact O-N 2.96Å; L140-A142 PolarHBondContact O-N 3.49Å; L140-S143 PolarHBondContact O-N 3Å; L140-S143 PolarHBondContact O-OG 2.82Å; L140-V144 HydrophobicContact CD1-CG1 3.97Å; L140-V144 WeakPolarHBondContact O-CG1 3.35Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; L140-L155 HydrophobicContact CB-CD1 4.4Å; L140-L155 HydrophobicContact CD1-CB 4.43Å; L140-L156 HydrophobicContact CD1-CD1 4.44Å; L140-L156 HydrophobicContact CD1-CD2 4.43Å; L140-L156 HydrophobicContact CD1-CG 4.1Å; L140-L156 HydrophobicContact CD2-CD2 3.67Å; L140-L156 HydrophobicContact CD2-CG 4.22Å; L140-A160 HydrophobicContact CB-CB 4.04Å; L140-A160 HydrophobicContact CD2-CB 3.7Å; L140-A160 HydrophobicContact CG-CB 4.39Å; L140-P173 HydrophobicContact CD2-CB 4.42Å; L140-P173 HydrophobicContact CD2-CG 4.08Å; L140-P173 HydrophobicContact CG-CB 4.25Å; L140-P173 HydrophobicContact CG-CG 4.1Å; L140-L189 HydrophobicContact CD1-CD2 4.32Å; L140-L189 HydrophobicContact CD2-CD2 4.1Å; L140-L189 HydrophobicContact CG-CD2 4.44Å
141H97Very high94.2Very high5 Ų551.5 Ų51.52%0.02328%0.282CS..Hα-helixtrans-59.9-31174.5-167.6-87.9000112.7N137 Q138 Q139 F164 H166 T171 V176N137-H141 PolarHBondContact O-N 3.49Å; Q138-H141 WeakPolarHBondContact O-CB 3.37Å; Q138-H141 PolarHBondContact O-N 2.91Å; Q139-H141 PolarHBondContact O-N 2.77Å; H141-F164 HydrophobicContact CB-CD1 4.48Å; H141-H166 AromaticContact CE1-CD2 3.77Å; H141-H166 AromaticContact CG-CD2 3.77Å; H141-H166 AromaticContact ND1-CD2 3.39Å; H141-H166 PolarHBondContact ND1-CD2 3.26Å; H141-T171 PolarHBondContact CD2-O 2.88Å; H141-T171 VanDerWaalsContact CD2-O 3.24Å; H141-T171 PolarHBondContact CE1-OG1 3.2Å; H141-T171 PolarHBondContact NE2-O 3.03Å; H141-T171 PolarHBondContact NE2-OG1 3.39Å; H141-T171 VanDerWaalsContact NE2-OG1 3.14Å; H141-V176 VanDerWaalsContact CE1-CG2 3.5Å; H141-V176 WeakPolarHBondContact CE1-CG2 3.43Å
142A96.2Very high94.9Very high47 Ų4748.9 Ų48.939%0.38827%0.266SS..Hα-helixtrans-84.9-42.5177.700000113.8Q138 Q139 L140 V144 R145Q138-A142 PolarHBondContact O-N 3.48Å; Q138-A142 VanDerWaalsContact O-N 3.11Å; Q139-A142 PolarHBondContact O-N 3.19Å; Q139-A142 VanDerWaalsContact O-N 3.15Å; L140-A142 PolarHBondContact O-N 3.49Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.9Å; A142-R145 WeakPolarHBondContact O-CB 3.31Å; A142-R145 WeakPolarHBondContact O-CD 3.36Å; A142-R145 VanDerWaalsContact O-CG 3.29Å; A142-R145 WeakPolarHBondContact O-CG 3.48Å; A142-R145 PolarHBondContact O-N 3Å
143S96.6Very high95.1Very high14 Ų1445.2 Ų45.210%0.09825%0.246CC..Hα-helixtrans-62.1-40.7-172.566.60000112.7Q139 L140 R145 T146 S152Q139-S143 PolarHBondContact O-N 2.71Å; L140-S143 PolarHBondContact O-N 3Å; L140-S143 PolarHBondContact O-OG 2.82Å; S143-R145 PolarHBondContact O-N 3.11Å; S143-T146 PolarHBondContact O-N 3.11Å; S143-T146 PolarHBondContact O-OG1 3.07Å; S143-S152 PolarHBondContact OG-OG 3.21Å
144V97Very high95.4Very high0 Ų043.7 Ų43.70%024%0.237CC..THydrogen-bonded Turntrans-68-1.8-175.4-58.30000114.7L140 A142 P173 V176 A177 Q185 L189L140-V144 HydrophobicContact CD1-CG1 3.97Å; L140-V144 WeakPolarHBondContact O-CG1 3.35Å; L140-V144 WeakPolarHBondContact O-CG2 3.42Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.9Å; V144-P173 HydrophobicContact CG2-CB 4.1Å; V144-P173 WeakPolarHBondContact CG2-O 3.49Å; V144-V176 HydrophobicContact CG2-CB 4.03Å; V144-V176 HydrophobicContact CG2-CG1 4.08Å; V144-A177 HydrophobicContact CB-CB 4.29Å; V144-Q185 HydrophobicContact CB-CB 4.19Å; V144-Q185 HydrophobicContact CB-CG 4.28Å; V144-Q185 HydrophobicContact CG1-CB 4.4Å; V144-L189 HydrophobicContact CB-CD1 4.49Å; V144-L189 HydrophobicContact CG1-CD1 4.07Å; V144-L189 HydrophobicContact CG1-CD2 4.45Å; V144-L189 HydrophobicContact CG1-CG 4.45Å
145R95.6Very high95.6Very high116 Ų11639.6 Ų39.644%0.43822%0.215SC..THydrogen-bonded Turntrans-66.9-25.8164.7-63.6171.561.577.75.3112.2A142 S143 V176 Y180 Q182A142-R145 WeakPolarHBondContact O-CB 3.31Å; A142-R145 WeakPolarHBondContact O-CD 3.36Å; A142-R145 VanDerWaalsContact O-CG 3.29Å; A142-R145 WeakPolarHBondContact O-CG 3.48Å; A142-R145 PolarHBondContact O-N 3Å; S143-R145 PolarHBondContact O-N 3.11Å; R145-V176 HydrophobicContact CB-CG1 4.49Å; R145-V176 HydrophobicContact CG-CG1 3.47Å; R145-V176 VanDerWaalsContact CG-CG1 3.47Å; R145-Y180 HydrophobicContact CB-CD2 4.5Å; R145-Y180 HydrophobicContact CB-CG 4.44Å; R145-Y180 HydrophobicContact CG-CD2 4.28Å; R145-Y180 HydrophobicContact CG-CE2 4.44Å; R145-Y180 VanDerWaalsContact CZ-CZ 3.5Å; R145-Y180 VanDerWaalsContact NH1-CE2 3.25Å; R145-Y180 PolarHBondContact NH1-OH 3.5Å; R145-Y180 PolarHBondContact NH2-OH 3.21Å; R145-Y180 VanDerWaalsContact NH2-OH 3.15Å; R145-Q182 PolarHBondContact O-NE2 2.79Å
146T94.3Very high95.8Very high69 Ų6936.1 Ų36.142%0.42320%0.197SC..SBendtrans-107.4164.4-175.372.10000111.5S143 V148 Q185S143-T146 PolarHBondContact O-N 3.11Å; S143-T146 PolarHBondContact O-OG1 3.07Å; T146-V148 VanDerWaalsContact C-N 3.26Å; T146-V148 PolarHBondContact O-N 2.85Å; T146-Q185 VanDerWaalsContact O-CG 3.23Å; T146-Q185 WeakPolarHBondContact O-CG 3.46Å; T146-Q185 PolarHBondContact O-NE2 2.98Å
147G92Very high95.7Very high40 Ų4036.5 Ų36.541%0.41220%0.2SC..SBendtrans-77.2-0.8176.900000115.5L149G147-L149 WeakPolarHBondContact O-CD2 3.4Å; G147-L149 WeakPolarHBondContact O-CG 3.32Å; G147-L149 PolarHBondContact O-N 3.09Å; G147-L149 VanDerWaalsContact O-N 3.1Å
148V94.3Very high95.5Very high62 Ų6237 Ų3738%0.37620%0.203SC..  trans-7797.9-173.5-1730000110.3T146 E150 T151 Q185T146-V148 VanDerWaalsContact C-N 3.26Å; T146-V148 PolarHBondContact O-N 2.85Å; V148-E150 WeakPolarHBondContact CG1-OE2 3.17Å; V148-T151 WeakPolarHBondContact CG1-OG1 3.45Å; V148-Q185 VanDerWaalsContact C-NE2 3.35Å; V148-Q185 PolarHBondContact O-NE2 3.23Å
149L97Very high95.3Very high9 Ų935 Ų355%0.04720%0.204CC..Hα-helixtrans-76.2-28.4-173.9-53.5-167.9000111.8M60 Y63 L64 G147 S152 L153 Q185 L188M60-L149 HydrophobicContact CB-CD1 4.31Å; M60-L149 HydrophobicContact CG-CD1 3.96Å; Y63-L149 HydrophobicContact CD1-CB 4.3Å; Y63-L149 HydrophobicContact CD1-CD1 3.85Å; Y63-L149 HydrophobicContact CD1-CG 4.13Å; Y63-L149 HydrophobicContact CE1-CB 4.13Å; Y63-L149 HydrophobicContact CE1-CD1 4.31Å; Y63-L149 HydrophobicContact CE1-CG 4.08Å; L64-L149 HydrophobicContact CD2-CB 3.68Å; L64-L149 HydrophobicContact CG-CB 4.3Å; G147-L149 WeakPolarHBondContact O-CD2 3.4Å; G147-L149 WeakPolarHBondContact O-CG 3.32Å; G147-L149 PolarHBondContact O-N 3.09Å; G147-L149 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-N 3.3Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 3.37Å; L149-Q185 HydrophobicContact CD2-CB 4.46Å; L149-Q185 HydrophobicContact CD2-CG 3.81Å; L149-L188 HydrophobicContact CB-CD2 4.2Å; L149-L188 VanDerWaalsContact O-CD2 3.3Å; L149-L188 WeakPolarHBondContact O-CD2 3.44Å
150E95.3Very high95.3Very high34 Ų3430.4 Ų30.416%0.15918%0.184CC..Hα-helixtrans-66.3-41.5-174.7-50.295.4122.700111.5Y63 L64 A67 Y72 V148 L153 Y154Y63-E150 PolarHBondContact OH-OE1 3.23Å; Y63-E150 PolarHBondContact OH-OE2 3.35Å; L64-E150 HydrophobicContact CD2-CG 4.35Å; A67-E150 HydrophobicContact CB-CG 3.85Å; Y72-E150 HydrophobicContact CE2-CB 4.24Å; Y72-E150 WeakPolarHBondContact OH-CB 3.4Å; V148-E150 WeakPolarHBondContact CG1-OE2 3.17Å; E150-L153 PolarHBondContact O-N 2.93Å; E150-Y154 PolarHBondContact O-N 3.49Å
151T95.4Very high95Very high69 Ų6933.9 Ų33.942%0.42320%0.203SC..Hα-helixtrans-62.6-48.1173.5-52.30000111.2V148 L153 Y154 L155V148-T151 WeakPolarHBondContact CG1-OG1 3.45Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.15Å; T151-Y154 PolarHBondContact O-N 3.06Å; T151-L155 HydrophobicContact CG2-CD1 4.14Å; T151-L155 VanDerWaalsContact O-CG 3.28Å; T151-L155 WeakPolarHBondContact O-CG 3.29Å; T151-L155 PolarHBondContact O-N 3.01Å
152S97.2Very high94.7Very high0 Ų034.2 Ų34.20%021%0.205CC..Hα-helixtrans-63.3-39.7177.5-62.30000111.8S143 L149 L155 L156 Q185S143-S152 PolarHBondContact OG-OG 3.21Å; L149-S152 PolarHBondContact O-N 3.3Å; S152-L155 PolarHBondContact O-N 2.96Å; S152-L156 WeakPolarHBondContact O-CB 3.37Å; S152-L156 WeakPolarHBondContact O-CD1 3.45Å; S152-L156 WeakPolarHBondContact O-CG 3.44Å; S152-L156 PolarHBondContact O-N 3.38Å; S152-Q185 PolarHBondContact OG-NE2 3.44Å; S152-Q185 PolarHBondContact OG-OE1 2.81Å
153L96.8Very high94.5Very high1 Ų134.3 Ų34.31%0.00520%0.199CC..Hα-helixtrans-62.6-43.6176.2178.265.9000111.3L64 A69 Y72 W73 L149 E150 T151 L156 A157 L188 Y192L64-L153 HydrophobicContact CD1-CD2 4.32Å; L64-L153 HydrophobicContact CD2-CB 4.46Å; L64-L153 HydrophobicContact CD2-CD2 3.95Å; A69-L153 HydrophobicContact CB-CD2 3.65Å; Y72-L153 HydrophobicContact CD2-CD2 4.36Å; W73-L153 HydrophobicContact CZ2-CD1 4.29Å; L149-L153 WeakPolarHBondContact O-CB 3.46Å; L149-L153 PolarHBondContact O-N 3.37Å; E150-L153 PolarHBondContact O-N 2.93Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 2.92Å; L153-A157 VanDerWaalsContact O-CB 3.26Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 3.49Å; L153-L188 HydrophobicContact CB-CD1 4.49Å; L153-L188 HydrophobicContact CB-CD2 4.17Å; L153-L188 HydrophobicContact CD1-CD1 4.02Å; L153-Y192 HydrophobicContact CD1-CE2 3.86Å
154Y95.4Very high94.3Very high73 Ų7334.7 Ų34.729%0.28620%0.199SC..Hα-helixtrans-64.7-42.1176.8-178.1-109.4000112.1Y72 F125 K126 E150 T151 A157 L158Y72-Y154 AromaticContact CD1-CD2 3.92Å; Y72-Y154 HydrophobicContact CD1-CD2 3.92Å; Y72-Y154 HydrophobicContact CE1-CD2 4.29Å; Y72-Y154 HydrophobicContact CG-CD2 4.34Å; F125-Y154 HydrophobicContact CE1-CE2 4.34Å; F125-Y154 HydrophobicContact CE2-CD2 4.19Å; F125-Y154 HydrophobicContact CE2-CE2 4.22Å; F125-Y154 AromaticContact CZ-CD2 3.9Å; F125-Y154 HydrophobicContact CZ-CD2 3.9Å; F125-Y154 AromaticContact CZ-CE2 3.65Å; F125-Y154 HydrophobicContact CZ-CE2 3.65Å; K126-Y154 PolarHBondContact O-OH 2.83Å; E150-Y154 PolarHBondContact O-N 3.49Å; T151-Y154 PolarHBondContact O-N 3.06Å; Y154-A157 PolarHBondContact O-N 2.87Å; Y154-L158 HydrophobicContact CD1-CD1 4.02Å; Y154-L158 HydrophobicContact CE1-CD1 3.52Å; Y154-L158 HydrophobicContact CE1-CG 4.31Å; Y154-L158 WeakPolarHBondContact O-CG 3.38Å; Y154-L158 PolarHBondContact O-N 3.38Å
155L95.9Very high94.2Very high9 Ų938.7 Ų38.75%0.04722%0.22CC..Hα-helixtrans-62.5-43.7174.9-67.2167.7000111.7L136 Q139 L140 T151 S152 L158 G159 A160L136-L155 HydrophobicContact CD1-CB 4.48Å; L136-L155 HydrophobicContact CD1-CD2 3.53Å; L136-L155 HydrophobicContact CG-CD2 4.46Å; Q139-L155 HydrophobicContact CB-CD1 4.07Å; Q139-L155 HydrophobicContact CB-CD2 3.91Å; L140-L155 HydrophobicContact CB-CD1 4.4Å; L140-L155 HydrophobicContact CD1-CB 4.43Å; T151-L155 HydrophobicContact CG2-CD1 4.14Å; T151-L155 VanDerWaalsContact O-CG 3.28Å; T151-L155 WeakPolarHBondContact O-CG 3.29Å; T151-L155 PolarHBondContact O-N 3.01Å; S152-L155 PolarHBondContact O-N 2.96Å; L155-L158 WeakPolarHBondContact O-CB 3.21Å; L155-L158 PolarHBondContact O-N 3.39Å; L155-G159 PolarHBondContact O-N 3.47Å; L155-A160 HydrophobicContact CB-CB 4.27Å; L155-A160 WeakPolarHBondContact O-CB 3.44Å; L155-A160 PolarHBondContact O-N 3.36Å
156L95.8Very high94.1Very high6 Ų633.9 Ų33.93%0.03120%0.203CC..Hα-helixtrans-65-38.7175.4-72.1164.4000112L140 S152 L153 L158 G159 A160 P162 L188 L189 Y192L140-L156 HydrophobicContact CD1-CD1 4.44Å; L140-L156 HydrophobicContact CD1-CD2 4.43Å; L140-L156 HydrophobicContact CD1-CG 4.1Å; L140-L156 HydrophobicContact CD2-CD2 3.67Å; L140-L156 HydrophobicContact CD2-CG 4.22Å; S152-L156 WeakPolarHBondContact O-CB 3.37Å; S152-L156 WeakPolarHBondContact O-CD1 3.45Å; S152-L156 WeakPolarHBondContact O-CG 3.44Å; S152-L156 PolarHBondContact O-N 3.38Å; L153-L156 PolarHBondContact O-N 2.92Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 PolarHBondContact O-N 3.09Å; L156-G159 PolarHBondContact O-N 3Å; L156-A160 HydrophobicContact CD2-CB 4.47Å; L156-P162 HydrophobicContact CD2-CB 4.22Å; L156-L188 HydrophobicContact CD1-CD1 4.3Å; L156-L188 HydrophobicContact CD1-CD2 4.34Å; L156-L188 HydrophobicContact CD1-CG 3.89Å; L156-L189 HydrophobicContact CD1-CD2 4.49Å; L156-Y192 HydrophobicContact CB-CD1 3.74Å; L156-Y192 HydrophobicContact CB-CD2 4.21Å; L156-Y192 HydrophobicContact CB-CE1 3.71Å; L156-Y192 HydrophobicContact CB-CE2 4.18Å; L156-Y192 HydrophobicContact CB-CG 3.99Å; L156-Y192 HydrophobicContact CD1-CD2 3.78Å; L156-Y192 HydrophobicContact CD1-CE2 4.28Å; L156-Y192 HydrophobicContact CD1-CG 3.92Å; L156-Y192 HydrophobicContact CD2-CD1 4.13Å; L156-Y192 HydrophobicContact CD2-CG 3.99Å; L156-Y192 HydrophobicContact CG-CD1 4.34Å; L156-Y192 HydrophobicContact CG-CD2 4.44Å; L156-Y192 HydrophobicContact CG-CG 4.19Å
157A92.9Very high93.9Very high14 Ų1435.8 Ų35.812%0.11622%0.216CC..Hα-helixtrans-65.3-27.2174.300000113.6W73 F125 L153 Y154 G159W73-A157 HydrophobicContact CH2-CB 3.45Å; W73-A157 VanDerWaalsContact CH2-CB 3.45Å; W73-A157 HydrophobicContact CZ2-CB 4.41Å; W73-A157 HydrophobicContact CZ3-CB 3.78Å; F125-A157 HydrophobicContact CE2-CB 3.53Å; F125-A157 HydrophobicContact CZ-CB 3.62Å; L153-A157 VanDerWaalsContact O-CB 3.26Å; L153-A157 WeakPolarHBondContact O-CB 3.28Å; L153-A157 PolarHBondContact O-N 3.49Å; Y154-A157 PolarHBondContact O-N 2.87Å; A157-G159 VanDerWaalsContact C-N 3.26Å
158L92.6Very high93.8Very high24 Ų2441.4 Ų41.413%0.12624%0.235CC..THydrogen-bonded Turntrans-77.6-6170-71.2173.6000113.9F125 P128 V131 L136 Y154 L155 L156F125-L158 HydrophobicContact CE1-CD2 3.82Å; F125-L158 HydrophobicContact CE1-CG 4.45Å; F125-L158 HydrophobicContact CZ-CD2 4.21Å; F125-L158 HydrophobicContact CZ-CG 4.37Å; P128-L158 HydrophobicContact CG-CD1 4.39Å; P128-L158 HydrophobicContact CG-CD2 4.15Å; V131-L158 HydrophobicContact CG2-CD2 4.45Å; L136-L158 HydrophobicContact CD1-CB 3.84Å; L136-L158 HydrophobicContact CD1-CD1 3.78Å; L136-L158 HydrophobicContact CD1-CG 4.48Å; L136-L158 HydrophobicContact CD2-CB 3.83Å; L136-L158 HydrophobicContact CG-CB 4.48Å; Y154-L158 HydrophobicContact CD1-CD1 4.02Å; Y154-L158 HydrophobicContact CE1-CD1 3.52Å; Y154-L158 HydrophobicContact CE1-CG 4.31Å; Y154-L158 WeakPolarHBondContact O-CG 3.38Å; Y154-L158 PolarHBondContact O-N 3.38Å; L155-L158 WeakPolarHBondContact O-CB 3.21Å; L155-L158 PolarHBondContact O-N 3.39Å; L156-L158 VanDerWaalsContact C-N 3.27Å; L156-L158 PolarHBondContact O-N 3.09Å
159G90.6Very high93.7Very high39 Ų3944 Ų4440%0.40224%0.241SC..THydrogen-bonded Turntrans90.734-178.200000114.2H133 L155 L156 A157H133-G159 PolarHBondContact ND1-O 3.35Å; L155-G159 PolarHBondContact O-N 3.47Å; L156-G159 PolarHBondContact O-N 3Å; A157-G159 VanDerWaalsContact C-N 3.26Å
160A95.4Very high93.5Very high7 Ų743.9 Ų43.96%0.05824%0.241CC..  trans-65.3138.5164.800000110.3L136 L140 L155 L156 P162L136-A160 HydrophobicContact CD2-CB 4.03Å; L136-A160 VanDerWaalsContact CD2-N 3.32Å; L136-A160 HydrophobicContact CG-CB 3.94Å; L140-A160 HydrophobicContact CB-CB 4.04Å; L140-A160 HydrophobicContact CD2-CB 3.7Å; L140-A160 HydrophobicContact CG-CB 4.39Å; L155-A160 HydrophobicContact CB-CB 4.27Å; L155-A160 WeakPolarHBondContact O-CB 3.44Å; L155-A160 PolarHBondContact O-N 3.36Å; L156-A160 HydrophobicContact CD2-CB 4.47Å; A160-P162 WeakPolarHBondContact O-CD 3.46Å
161N91Very high93.4Very high74 Ų7443.3 Ų43.340%0.39624%0.241SC..  trans-85114178178.83.4000110.3N137 N163 F164N137-N161 PolarHBondContact OD1-N 3.08Å; N161-N163 PolarHBondContact O-N 2.94Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 WeakPolarHBondContact OD1-CA 3.42Å; N161-N163 WeakPolarHBondContact OD1-CB 3.42Å; N161-N163 PolarHBondContact OD1-N 3.18Å; N161-F164 HydrophobicContact CB-CB 4.26Å; N161-F164 WeakPolarHBondContact O-CB 3.47Å; N161-F164 PolarHBondContact O-N 3.35Å; N161-F164 VanDerWaalsContact O-N 3.13Å
162P92.3Very high93.4Very high12 Ų1240 Ų408%0.07822%0.22CC..THydrogen-bonded Turntrans-65.5-18.4178.728.4-35.7000113.4L156 A160 P173 L189 A194L156-P162 HydrophobicContact CD2-CB 4.22Å; A160-P162 WeakPolarHBondContact O-CD 3.46Å; P162-P173 WeakPolarHBondContact O-CD 3.23Å; P162-L189 HydrophobicContact CB-CD2 3.85Å; P162-A194 HydrophobicContact CB-CB 4.1Å
163N90.9Very high93.4Very high48 Ų4840 Ų4026%0.25722%0.22SC..THydrogen-bonded Turntrans-100.714.3178.3-64.2-45000113.3N161 L165 G193 A194 D195 I198N161-N163 PolarHBondContact O-N 2.94Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 WeakPolarHBondContact OD1-CA 3.42Å; N161-N163 WeakPolarHBondContact OD1-CB 3.42Å; N161-N163 PolarHBondContact OD1-N 3.18Å; N163-L165 PolarHBondContact O-N 2.99Å; N163-G193 PolarHBondContact ND2-O 3.45Å; N163-A194 WeakPolarHBondContact OD1-CA 3.5Å; N163-D195 PolarHBondContact OD1-N 2.95Å; N163-I198 HydrophobicContact CB-CD1 4.07Å
164F93.3Very high93.3Very high23 Ų2340 Ų4010%0.10122%0.22CC..  trans-60.8121.1175.1168.6-110000111.9N137 Q138 H141 N161 H166 A172 P173N137-F164 HydrophobicContact CB-CB 4.04Å; N137-F164 HydrophobicContact CB-CD1 3.74Å; N137-F164 HydrophobicContact CB-CD2 3.64Å; N137-F164 HydrophobicContact CB-CE1 3.97Å; N137-F164 HydrophobicContact CB-CE2 3.88Å; N137-F164 HydrophobicContact CB-CG 3.55Å; N137-F164 HydrophobicContact CB-CZ 4.03Å; Q138-F164 HydrophobicContact CG-CE1 4.02Å; Q138-F164 HydrophobicContact CG-CZ 3.93Å; H141-F164 HydrophobicContact CB-CD1 4.48Å; N161-F164 HydrophobicContact CB-CB 4.26Å; N161-F164 WeakPolarHBondContact O-CB 3.47Å; N161-F164 PolarHBondContact O-N 3.35Å; N161-F164 VanDerWaalsContact O-N 3.13Å; F164-H166 HydrophobicContact CE1-CB 3.93Å; F164-A172 VanDerWaalsContact O-CA 3.3Å; F164-A172 WeakPolarHBondContact O-CA 3.44Å; F164-P173 WeakPolarHBondContact O-CD 3.44Å
165L94.1Very high93.3Very high84 Ų8436.6 Ų36.644%0.4421%0.207SC..  trans-88113.3169.7-70.3171000109.8N163 P167 A172 I198N163-L165 PolarHBondContact O-N 2.99Å; L165-P167 WeakPolarHBondContact O-CD 3.39Å; L165-A172 HydrophobicContact CD2-CB 4.11Å; L165-I198 HydrophobicContact CD2-CD1 4.11Å; L165-I198 HydrophobicContact CD2-CG1 4.32Å; L165-I198 HydrophobicContact CG-CD1 4.23Å
166H93.9Very high93.3Very high15 Ų1536.4 Ų36.47%0.06921%0.206CC..  trans-65120.7179.7-178.2-46.1000110.8H141 F164 I168 K169 G170 T171H141-H166 AromaticContact CE1-CD2 3.77Å; H141-H166 AromaticContact CG-CD2 3.77Å; H141-H166 AromaticContact ND1-CD2 3.39Å; H141-H166 PolarHBondContact ND1-CD2 3.26Å; F164-H166 HydrophobicContact CE1-CB 3.93Å; H166-I168 PolarHBondContact ND1-N 3.32Å; H166-I168 PolarHBondContact O-N 3.44Å; H166-K169 HydrophobicContact CB-CB 4.23Å; H166-K169 PolarHBondContact CD2-NZ 3.48Å; H166-K169 PolarHBondContact ND1-N 2.93Å; H166-K169 WeakPolarHBondContact NE2-CE 3.22Å; H166-K169 PolarHBondContact NE2-NZ 3Å; H166-K169 PolarHBondContact O-N 3.44Å; H166-G170 PolarHBondContact O-N 3.38Å; H166-T171 PolarHBondContact N-O 3.04Å
167P90.7Very high93.3Very high108 Ų10836.1 Ų36.170%0.70121%0.205SC*.THydrogen-bonded Turntrans-53.5-48.3-168.8-30.835.3000115.1L165L165-P167 WeakPolarHBondContact O-CD 3.39Å
168I89.8Confident93.4Very high159 Ų15935.5 Ų35.582%0.81520%0.2SC*.THydrogen-bonded Turntrans-76.4-43.6-179.2-52.8172.5000112.4H166H166-I168 PolarHBondContact ND1-N 3.32Å; H166-I168 PolarHBondContact O-N 3.44Å
169K90.7Very high93.4Very high117 Ų11739.2 Ų39.251%0.50922%0.216SC..THydrogen-bonded Turntrans-86.5-6.5-172.8-60.9175.4-171.9135.20114H166 T171H166-K169 HydrophobicContact CB-CB 4.23Å; H166-K169 PolarHBondContact CD2-NZ 3.48Å; H166-K169 PolarHBondContact ND1-N 2.93Å; H166-K169 WeakPolarHBondContact NE2-CE 3.22Å; H166-K169 PolarHBondContact NE2-NZ 3Å; H166-K169 PolarHBondContact O-N 3.44Å; K169-T171 WeakPolarHBondContact CB-OG1 3.46Å; K169-T171 WeakPolarHBondContact O-CG2 3.2Å; K169-T171 PolarHBondContact O-N 3.13Å; K169-T171 PolarHBondContact O-OG1 3.42Å
170G92.8Very high93.5Very high5 Ų541.8 Ų41.85%0.05222%0.215CC..  trans59.219.4176.600000116H166 N200 S201H166-G170 PolarHBondContact O-N 3.38Å; G170-N200 CarbonylContact O-C 3.38Å; G170-N200 WeakPolarHBondContact O-CA 3.19Å; G170-N200 VanDerWaalsContact O-CB 3.22Å; G170-N200 WeakPolarHBondContact O-CB 3.41Å; G170-S201 WeakPolarHBondContact CA-OG 3.28Å; G170-S201 PolarHBondContact O-N 3.17Å
171T94.9Very high93.4Very high23 Ų2343 Ų4314%0.14123%0.228CC..  trans-130.4153.5-166.536.30000111.5H141 H166 K169 H175 N200H141-T171 PolarHBondContact CD2-O 2.88Å; H141-T171 VanDerWaalsContact CD2-O 3.24Å; H141-T171 PolarHBondContact CE1-OG1 3.2Å; H141-T171 PolarHBondContact NE2-O 3.03Å; H141-T171 PolarHBondContact NE2-OG1 3.39Å; H141-T171 VanDerWaalsContact NE2-OG1 3.14Å; H166-T171 PolarHBondContact N-O 3.04Å; K169-T171 WeakPolarHBondContact CB-OG1 3.46Å; K169-T171 WeakPolarHBondContact O-CG2 3.2Å; K169-T171 PolarHBondContact O-N 3.13Å; K169-T171 PolarHBondContact O-OG1 3.42Å; T171-H175 HydrophobicContact CG2-CB 4.28Å; T171-N200 HydrophobicContact CG2-CB 3.84Å
172A95.2Very high93.6Very high0 Ų042 Ų420%022%0.221CC..  trans-97.8158.317400000112.1F164 L165 I174 H175 V176 I198F164-A172 VanDerWaalsContact O-CA 3.3Å; F164-A172 WeakPolarHBondContact O-CA 3.44Å; L165-A172 HydrophobicContact CD2-CB 4.11Å; A172-I174 HydrophobicContact CB-CG2 4.23Å; A172-I174 PolarHBondContact O-N 3.28Å; A172-I174 VanDerWaalsContact O-N 3.15Å; A172-H175 PolarHBondContact N-ND1 3.43Å; A172-H175 WeakPolarHBondContact O-CB 3.34Å; A172-H175 PolarHBondContact O-N 2.89Å; A172-V176 PolarHBondContact O-N 3.09Å; A172-I198 HydrophobicContact CB-CD1 3.95Å; A172-I198 HydrophobicContact CB-CG2 4.32Å
173P96.8Very high93.8Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-46.5-42.5173.9-30.434.1000113.8L140 V144 P162 F164 H175 V176 A177 L189L140-P173 HydrophobicContact CD2-CB 4.42Å; L140-P173 HydrophobicContact CD2-CG 4.08Å; L140-P173 HydrophobicContact CG-CB 4.25Å; L140-P173 HydrophobicContact CG-CG 4.1Å; V144-P173 HydrophobicContact CG2-CB 4.1Å; V144-P173 WeakPolarHBondContact CG2-O 3.49Å; P162-P173 WeakPolarHBondContact O-CD 3.23Å; F164-P173 WeakPolarHBondContact O-CD 3.44Å; P173-H175 PolarHBondContact O-N 3.38Å; P173-V176 WeakPolarHBondContact O-CB 3.35Å; P173-V176 PolarHBondContact O-N 2.8Å; P173-A177 PolarHBondContact O-N 2.91Å; P173-L189 HydrophobicContact CB-CD1 3.91Å; P173-L189 HydrophobicContact CB-CD2 3.86Å
174I95.2Very high94Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-66.6-36.9179.8-171.7171.2000113.2A172 V176 A177 C178 V186 L189 L190 A194 I198 V206 L247A172-I174 HydrophobicContact CB-CG2 4.23Å; A172-I174 PolarHBondContact O-N 3.28Å; A172-I174 VanDerWaalsContact O-N 3.15Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 3.15Å; I174-A177 PolarHBondContact O-N 3.37Å; I174-C178 PolarHBondContact O-N 2.76Å; I174-C178 PolarHBondContact O-SG 3.42Å; I174-C178 VanDerWaalsContact O-SG 3.42Å; I174-V186 HydrophobicContact CD1-CG1 4.44Å; I174-V186 HydrophobicContact CG1-CG1 4.46Å; I174-L189 HydrophobicContact CB-CD1 4.08Å; I174-L190 HydrophobicContact CD1-CD2 4.13Å; I174-L190 HydrophobicContact CD1-CG 4.39Å; I174-A194 HydrophobicContact CB-CB 4.22Å; I174-A194 HydrophobicContact CD1-CB 3.85Å; I174-A194 HydrophobicContact CG2-CB 4.42Å; I174-I198 HydrophobicContact CG2-CG2 3.96Å; I174-V206 HydrophobicContact CD1-CG1 4.24Å; I174-V206 HydrophobicContact CD1-CG2 4.36Å; I174-V206 HydrophobicContact CG1-CG1 3.85Å; I174-V206 HydrophobicContact CG1-CG2 4.19Å; I174-V206 HydrophobicContact CG2-CG2 3.76Å; I174-L247 HydrophobicContact CD1-CD2 4.35Å
175H94.9Very high94.2Very high1 Ų141.6 Ų41.61%0.00522%0.224CC..Hα-helixtrans-60.8-41.3171.9-69.5102.9000111.3T171 A172 P173 Q179 I198 N200 K204 I209T171-H175 HydrophobicContact CG2-CB 4.28Å; A172-H175 PolarHBondContact N-ND1 3.43Å; A172-H175 WeakPolarHBondContact O-CB 3.34Å; A172-H175 PolarHBondContact O-N 2.89Å; P173-H175 PolarHBondContact O-N 3.38Å; H175-Q179 WeakPolarHBondContact O-CB 3.4Å; H175-Q179 PolarHBondContact O-N 3.22Å; H175-I198 PolarHBondContact CE1-O 2.93Å; H175-I198 PolarHBondContact NE2-O 2.92Å; H175-N200 PolarHBondContact CE1-N 3.46Å; H175-N200 PolarHBondContact NE2-N 3.27Å; H175-K204 PolarHBondContact NE2-O 2.95Å; H175-I209 HydrophobicContact CB-CD1 4.11Å
176V95.7Very high94.3Very high6 Ų637.6 Ų37.64%0.03620%0.203CC..Hα-helixtrans-67.6-46.8178.5179.90000110.5H141 V144 R145 A172 P173 I174 C178 Q179 Y180H141-V176 VanDerWaalsContact CE1-CG2 3.5Å; H141-V176 WeakPolarHBondContact CE1-CG2 3.43Å; V144-V176 HydrophobicContact CG2-CB 4.03Å; V144-V176 HydrophobicContact CG2-CG1 4.08Å; R145-V176 HydrophobicContact CB-CG1 4.49Å; R145-V176 HydrophobicContact CG-CG1 3.47Å; R145-V176 VanDerWaalsContact CG-CG1 3.47Å; A172-V176 PolarHBondContact O-N 3.09Å; P173-V176 WeakPolarHBondContact O-CB 3.35Å; P173-V176 PolarHBondContact O-N 2.8Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 3.15Å; V176-C178 VanDerWaalsContact C-N 3.31Å; V176-C178 PolarHBondContact O-N 3.3Å; V176-Q179 PolarHBondContact O-N 3.05Å; V176-Y180 HydrophobicContact CG1-CD2 3.92Å; V176-Y180 HydrophobicContact CG1-CE2 4.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.2Å; V176-Y180 PolarHBondContact O-N 2.77Å
177A96.1Very high94.4Very high0 Ų036.9 Ų36.90%020%0.2CC..Hα-helixtrans-56.1-45.2177.200000111.8V144 P173 I174 Y180 G181 Q182 Q185 V186 L189V144-A177 HydrophobicContact CB-CB 4.29Å; P173-A177 PolarHBondContact O-N 2.91Å; I174-A177 PolarHBondContact O-N 3.37Å; A177-Y180 PolarHBondContact O-N 3.48Å; A177-G181 PolarHBondContact O-N 3.31Å; A177-Q182 PolarHBondContact O-N 2.91Å; A177-Q185 HydrophobicContact CB-CB 3.91Å; A177-V186 HydrophobicContact CB-CG2 3.55Å; A177-L189 HydrophobicContact CB-CD1 4.05Å
178C93.9Very high94.7Very high1 Ų131.8 Ų31.81%0.00717%0.167CC..Hα-helixtrans-65.3-45.5174.7-67.60000112.9I174 V176 Y180 G181 V186 V206 M243I174-C178 PolarHBondContact O-N 2.76Å; I174-C178 PolarHBondContact O-SG 3.42Å; I174-C178 VanDerWaalsContact O-SG 3.42Å; V176-C178 VanDerWaalsContact C-N 3.31Å; V176-C178 PolarHBondContact O-N 3.3Å; C178-Y180 PolarHBondContact O-N 2.92Å; C178-G181 PolarHBondContact O-N 2.78Å; C178-V186 WeakPolarHBondContact SG-CG2 3.25Å; C178-V206 HydrophobicContact CB-CG1 4.03Å; C178-V206 WeakPolarHBondContact SG-CG1 3.33Å; C178-M243 HydrophobicContact CB-CG 4.45Å; C178-M243 HydrophobicContact CB-SD 4.25Å
179Q93.1Very high95Very high101 Ų10124.2 Ų24.247%0.47213%0.128SC..Hα-helixtrans-55.9-40.1176.8-171.3-175.523.900111.8H175 V176 I209 K213H175-Q179 WeakPolarHBondContact O-CB 3.4Å; H175-Q179 PolarHBondContact O-N 3.22Å; V176-Q179 PolarHBondContact O-N 3.05Å; Q179-I209 HydrophobicContact CB-CG2 4.17Å; Q179-K213 WeakPolarHBondContact O-CD 3.45Å; Q179-K213 PolarHBondContact O-NZ 2.9Å
180Y93.8Very high94.9Very high94 Ų9420 Ų2037%0.36911%0.111SC..Hα-helixtrans-86.7-3178.2-74.2-87.5000114.2R145 V176 A177 C178 Q182R145-Y180 HydrophobicContact CB-CD2 4.5Å; R145-Y180 HydrophobicContact CB-CG 4.44Å; R145-Y180 HydrophobicContact CG-CD2 4.28Å; R145-Y180 HydrophobicContact CG-CE2 4.44Å; R145-Y180 VanDerWaalsContact CZ-CZ 3.5Å; R145-Y180 VanDerWaalsContact NH1-CE2 3.25Å; R145-Y180 PolarHBondContact NH1-OH 3.5Å; R145-Y180 PolarHBondContact NH2-OH 3.21Å; R145-Y180 VanDerWaalsContact NH2-OH 3.15Å; V176-Y180 HydrophobicContact CG1-CD2 3.92Å; V176-Y180 HydrophobicContact CG1-CE2 4.3Å; V176-Y180 WeakPolarHBondContact O-CD2 3.2Å; V176-Y180 PolarHBondContact O-N 2.77Å; A177-Y180 PolarHBondContact O-N 3.48Å; C178-Y180 PolarHBondContact O-N 2.92Å; Y180-Q182 VanDerWaalsContact C-N 3.32Å
181G92.6Very high94.8Very high33 Ų3320 Ų2034%0.3411%0.11SC..THydrogen-bonded Turntrans78.413.1178.500000114.4A177 C178 I183 M243A177-G181 PolarHBondContact O-N 3.31Å; C178-G181 PolarHBondContact O-N 2.78Å; G181-I183 VanDerWaalsContact C-N 3.32Å; G181-I183 PolarHBondContact O-N 3.34Å; G181-M243 VanDerWaalsContact C-CE 3.42Å
182Q95.5Very high94.7Very high52 Ų5221.5 Ų21.524%0.24311%0.113CC..  trans-79.772.4-171.5-58.4-63.1-4.300111.8R145 A177 Y180 G184 Q185 V186R145-Q182 PolarHBondContact O-NE2 2.79Å; A177-Q182 PolarHBondContact O-N 2.91Å; Y180-Q182 VanDerWaalsContact C-N 3.32Å; Q182-G184 VanDerWaalsContact C-N 3.25Å; Q182-G184 PolarHBondContact O-N 3.39Å; Q182-Q185 HydrophobicContact CB-CB 3.87Å; Q182-Q185 HydrophobicContact CB-CG 3.74Å; Q182-Q185 HydrophobicContact CG-CG 4.45Å; Q182-Q185 WeakPolarHBondContact O-CB 3.5Å; Q182-Q185 PolarHBondContact O-N 3.13Å; Q182-V186 PolarHBondContact O-N 3.33Å
183I95.5Very high94.1Very high50 Ų5023.7 Ų23.726%0.25614%0.136SC..Hα-helixtrans-51.7-42.6-176.8-65.3175.6000111.9G181 Q185 V186 E187 M243 V246G181-I183 VanDerWaalsContact C-N 3.32Å; G181-I183 PolarHBondContact O-N 3.34Å; I183-Q185 VanDerWaalsContact C-N 3.33Å; I183-Q185 PolarHBondContact O-N 3.49Å; I183-V186 WeakPolarHBondContact O-CB 3.45Å; I183-V186 PolarHBondContact O-N 2.87Å; I183-V186 VanDerWaalsContact O-N 3.17Å; I183-E187 HydrophobicContact CG2-CG 4.5Å; I183-E187 WeakPolarHBondContact O-CG 3.34Å; I183-E187 PolarHBondContact O-N 3.45Å; I183-M243 HydrophobicContact CB-CE 4.47Å; I183-M243 HydrophobicContact CG1-CE 3.59Å; I183-M243 HydrophobicContact CG1-SD 4.22Å; I183-V246 HydrophobicContact CG2-CG2 4.02Å
184G95.9Very high93.7Very high24 Ų2424.2 Ų24.225%0.24714%0.141CC..Hα-helixtrans-63.2-33.9177.300000114.2Q182 L188Q182-G184 VanDerWaalsContact C-N 3.25Å; Q182-G184 PolarHBondContact O-N 3.39Å; G184-L188 WeakPolarHBondContact O-CB 3.18Å; G184-L188 PolarHBondContact O-N 2.85Å; G184-L188 VanDerWaalsContact O-N 3.13Å
185Q97.5Very high92.9Very high1 Ų125.8 Ų25.81%0.00515%0.149CC..Hα-helixtrans-71.7-37.6173.8-63.6-73.96.100110.9V144 T146 V148 L149 S152 A177 Q182 I183 L188 L189V144-Q185 HydrophobicContact CB-CB 4.19Å; V144-Q185 HydrophobicContact CB-CG 4.28Å; V144-Q185 HydrophobicContact CG1-CB 4.4Å; T146-Q185 VanDerWaalsContact O-CG 3.23Å; T146-Q185 WeakPolarHBondContact O-CG 3.46Å; T146-Q185 PolarHBondContact O-NE2 2.98Å; V148-Q185 VanDerWaalsContact C-NE2 3.35Å; V148-Q185 PolarHBondContact O-NE2 3.23Å; L149-Q185 HydrophobicContact CD2-CB 4.46Å; L149-Q185 HydrophobicContact CD2-CG 3.81Å; S152-Q185 PolarHBondContact OG-NE2 3.44Å; S152-Q185 PolarHBondContact OG-OE1 2.81Å; A177-Q185 HydrophobicContact CB-CB 3.91Å; Q182-Q185 HydrophobicContact CB-CB 3.87Å; Q182-Q185 HydrophobicContact CB-CG 3.74Å; Q182-Q185 HydrophobicContact CG-CG 4.45Å; Q182-Q185 WeakPolarHBondContact O-CB 3.5Å; Q182-Q185 PolarHBondContact O-N 3.13Å; I183-Q185 VanDerWaalsContact C-N 3.33Å; I183-Q185 PolarHBondContact O-N 3.49Å; Q185-L188 PolarHBondContact O-N 2.9Å; Q185-L189 WeakPolarHBondContact O-CB 3.3Å; Q185-L189 WeakPolarHBondContact O-CG 3.19Å; Q185-L189 PolarHBondContact O-N 2.9Å
186V96.1Very high92.2Very high0 Ų026.3 Ų26.30%015%0.152CC..Hα-helixtrans-61.4-48.1174.9177.20000110.3I174 A177 C178 Q182 I183 L188 L189 L190 M243 V246 L247I174-V186 HydrophobicContact CD1-CG1 4.44Å; I174-V186 HydrophobicContact CG1-CG1 4.46Å; A177-V186 HydrophobicContact CB-CG2 3.55Å; C178-V186 WeakPolarHBondContact SG-CG2 3.25Å; Q182-V186 PolarHBondContact O-N 3.33Å; I183-V186 WeakPolarHBondContact O-CB 3.45Å; I183-V186 PolarHBondContact O-N 2.87Å; I183-V186 VanDerWaalsContact O-N 3.17Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 3.39Å; V186-L189 PolarHBondContact O-N 3.21Å; V186-L190 HydrophobicContact CG1-CD1 3.8Å; V186-L190 HydrophobicContact CG1-CG 4.33Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 WeakPolarHBondContact O-CD1 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.34Å; V186-L190 PolarHBondContact O-N 3.05Å; V186-M243 HydrophobicContact CB-SD 4.47Å; V186-M243 HydrophobicContact CG2-CE 4.15Å; V186-M243 HydrophobicContact CG2-SD 3.83Å; V186-V246 HydrophobicContact CG1-CG1 4.03Å; V186-L247 HydrophobicContact CG1-CD2 3.83Å
187E95.2Very high91.5Very high0 Ų027.7 Ų27.70%016%0.162CC..Hα-helixtrans-58.2-40.4175.3-68.6-68.8-177.900113.1R54 S56 Q57 M60 I183 L190 A191R54-E187 IonicContact CZ-OE1 3.18Å; R54-E187 IonicContact CZ-OE2 2.68Å; R54-E187 VanDerWaalsContact NH1-CD 3.25Å; R54-E187 IonicContact NH1-OE1 2.72Å; R54-E187 PolarHBondContact NH1-OE1 3.06Å; R54-E187 IonicContact NH1-OE2 3.75Å; R54-E187 PolarHBondContact NH1-OE2 2.79Å; R54-E187 VanDerWaalsContact NH1-OE2 3.1Å; R54-E187 IonicContact NH2-OE1 2.79Å; R54-E187 IonicContact NH2-OE2 2.78Å; R54-E187 PolarHBondContact NH2-OE2 2.94Å; S56-E187 VanDerWaalsContact CB-OE1 3.23Å; S56-E187 WeakPolarHBondContact CB-OE1 3.39Å; S56-E187 PolarHBondContact OG-OE1 3.27Å; Q57-E187 PolarHBondContact N-OE1 3.2Å; M60-E187 HydrophobicContact CB-CB 4.37Å; M60-E187 HydrophobicContact CE-CB 3.92Å; M60-E187 HydrophobicContact SD-CB 3.46Å; M60-E187 WeakPolarHBondContact SD-CB 3.41Å; I183-E187 HydrophobicContact CG2-CG 4.5Å; I183-E187 WeakPolarHBondContact O-CG 3.34Å; I183-E187 PolarHBondContact O-N 3.45Å; E187-L190 PolarHBondContact O-N 3.16Å; E187-A191 WeakPolarHBondContact O-CB 3.39Å; E187-A191 PolarHBondContact O-N 3.17Å
188L96.9Very high90.7Very high0 Ų028.7 Ų28.70%017%0.167CC..Hα-helixtrans-70.1-42.8-179.5177.358.1000111.4M60 L64 L149 L153 L156 G184 Q185 V186 A191 Y192M60-L188 WeakPolarHBondContact SD-CA 3.47Å; M60-L188 HydrophobicContact SD-CB 3.72Å; M60-L188 HydrophobicContact SD-CD1 4.5Å; M60-L188 PolarHBondContact SD-N 2.9Å; L64-L188 HydrophobicContact CD1-CD1 4.31Å; L149-L188 HydrophobicContact CB-CD2 4.2Å; L149-L188 VanDerWaalsContact O-CD2 3.3Å; L149-L188 WeakPolarHBondContact O-CD2 3.44Å; L153-L188 HydrophobicContact CB-CD1 4.49Å; L153-L188 HydrophobicContact CB-CD2 4.17Å; L153-L188 HydrophobicContact CD1-CD1 4.02Å; L156-L188 HydrophobicContact CD1-CD1 4.3Å; L156-L188 HydrophobicContact CD1-CD2 4.34Å; L156-L188 HydrophobicContact CD1-CG 3.89Å; G184-L188 WeakPolarHBondContact O-CB 3.18Å; G184-L188 PolarHBondContact O-N 2.85Å; G184-L188 VanDerWaalsContact O-N 3.13Å; Q185-L188 PolarHBondContact O-N 2.9Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 3.39Å; L188-A191 PolarHBondContact O-N 3.11Å; L188-Y192 HydrophobicContact CD1-CD2 4.07Å; L188-Y192 HydrophobicContact CD1-CE2 3.99Å; L188-Y192 WeakPolarHBondContact O-CD2 3.38Å; L188-Y192 PolarHBondContact O-N 3.47Å
189L95.8Very high90.3Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-62.7-43.1174.5-72.7169.9000111.3L140 V144 L156 P162 P173 I174 A177 Q185 V186 Y192 G193 A194L140-L189 HydrophobicContact CD1-CD2 4.32Å; L140-L189 HydrophobicContact CD2-CD2 4.1Å; L140-L189 HydrophobicContact CG-CD2 4.44Å; V144-L189 HydrophobicContact CB-CD1 4.49Å; V144-L189 HydrophobicContact CG1-CD1 4.07Å; V144-L189 HydrophobicContact CG1-CD2 4.45Å; V144-L189 HydrophobicContact CG1-CG 4.45Å; L156-L189 HydrophobicContact CD1-CD2 4.49Å; P162-L189 HydrophobicContact CB-CD2 3.85Å; P173-L189 HydrophobicContact CB-CD1 3.91Å; P173-L189 HydrophobicContact CB-CD2 3.86Å; I174-L189 HydrophobicContact CB-CD1 4.08Å; A177-L189 HydrophobicContact CB-CD1 4.05Å; Q185-L189 WeakPolarHBondContact O-CB 3.3Å; Q185-L189 WeakPolarHBondContact O-CG 3.19Å; Q185-L189 PolarHBondContact O-N 2.9Å; V186-L189 PolarHBondContact O-N 3.21Å; L189-Y192 CarbonylContact O-C 3.54Å; L189-Y192 PolarHBondContact O-N 2.93Å; L189-Y192 VanDerWaalsContact O-N 3.09Å; L189-G193 PolarHBondContact O-N 2.89Å; L189-A194 VanDerWaalsContact C-CB 3.46Å; L189-A194 HydrophobicContact CB-CB 3.82Å; L189-A194 VanDerWaalsContact O-CB 3.25Å; L189-A194 WeakPolarHBondContact O-CB 3.43Å; L189-A194 PolarHBondContact O-N 3.15Å
190L90.3Very high90.2Very high30 Ų3031.8 Ų31.816%0.15718%0.176CC..Hα-helixtrans-60.6-43.2173.9-72.2166.6000111.8I174 V186 E187 Y192 G193 V196 V246 A250I174-L190 HydrophobicContact CD1-CD2 4.13Å; I174-L190 HydrophobicContact CD1-CG 4.39Å; V186-L190 HydrophobicContact CG1-CD1 3.8Å; V186-L190 HydrophobicContact CG1-CG 4.33Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 WeakPolarHBondContact O-CD1 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.34Å; V186-L190 PolarHBondContact O-N 3.05Å; E187-L190 PolarHBondContact O-N 3.16Å; L190-Y192 PolarHBondContact O-N 3.25Å; L190-G193 PolarHBondContact O-N 3.08Å; L190-V196 HydrophobicContact CD2-CG2 3.65Å; L190-V246 HydrophobicContact CD1-CG1 4.43Å; L190-A250 HydrophobicContact CD1-CB 3.51Å; L190-A250 HydrophobicContact CD2-CB 3.98Å; L190-A250 HydrophobicContact CG-CB 4.34Å
191A90.8Very high90.1Very high4 Ų432.4 Ų32.43%0.03319%0.194CC..Hα-helixtrans-62.4-20.7175.100000113.3V21 N22 Q44 M60 E187 L188V21-A191 HydrophobicContact CG1-CB 4.02Å; N22-A191 HydrophobicContact CB-CB 4.41Å; Q44-A191 PolarHBondContact NE2-O 2.67Å; Q44-A191 PolarHBondContact OE1-O 3.5Å; M60-A191 HydrophobicContact CE-CB 4.47Å; E187-A191 WeakPolarHBondContact O-CB 3.39Å; E187-A191 PolarHBondContact O-N 3.17Å; L188-A191 PolarHBondContact O-N 3.11Å
192Y92.8Very high89.9Confident54 Ų5434.8 Ų34.821%0.21221%0.206CC..THydrogen-bonded Turntrans-98.25.9172.3-85-98.5000114.3N22 L153 L156 L188 L189 L190N22-Y192 HydrophobicContact CB-CD2 4.5Å; N22-Y192 HydrophobicContact CB-CE2 4.15Å; N22-Y192 WeakPolarHBondContact O-CE2 3.45Å; N22-Y192 VanDerWaalsContact O-CZ 3.23Å; N22-Y192 PolarHBondContact O-OH 2.91Å; L153-Y192 HydrophobicContact CD1-CE2 3.86Å; L156-Y192 HydrophobicContact CB-CD1 3.74Å; L156-Y192 HydrophobicContact CB-CD2 4.21Å; L156-Y192 HydrophobicContact CB-CE1 3.71Å; L156-Y192 HydrophobicContact CB-CE2 4.18Å; L156-Y192 HydrophobicContact CB-CG 3.99Å; L156-Y192 HydrophobicContact CD1-CD2 3.78Å; L156-Y192 HydrophobicContact CD1-CE2 4.28Å; L156-Y192 HydrophobicContact CD1-CG 3.92Å; L156-Y192 HydrophobicContact CD2-CD1 4.13Å; L156-Y192 HydrophobicContact CD2-CG 3.99Å; L156-Y192 HydrophobicContact CG-CD1 4.34Å; L156-Y192 HydrophobicContact CG-CD2 4.44Å; L156-Y192 HydrophobicContact CG-CG 4.19Å; L188-Y192 HydrophobicContact CD1-CD2 4.07Å; L188-Y192 HydrophobicContact CD1-CE2 3.99Å; L188-Y192 WeakPolarHBondContact O-CD2 3.38Å; L188-Y192 PolarHBondContact O-N 3.47Å; L189-Y192 CarbonylContact O-C 3.54Å; L189-Y192 PolarHBondContact O-N 2.93Å; L189-Y192 VanDerWaalsContact O-N 3.09Å; L190-Y192 PolarHBondContact O-N 3.25Å
193G82.5Confident89.4Confident47 Ų4734 Ų3449%0.48521%0.211SC..THydrogen-bonded Turntrans88.831.5176.300000114.8N163 L189 L190 D195N163-G193 PolarHBondContact ND2-O 3.45Å; L189-G193 PolarHBondContact O-N 2.89Å; L190-G193 PolarHBondContact O-N 3.08Å; G193-D195 PolarHBondContact O-N 3.41Å
194A88.5Confident89Confident11 Ų1135.3 Ų35.39%0.09122%0.215CC..  trans-61.4132.3166.300000111.5P162 N163 I174 L189P162-A194 HydrophobicContact CB-CB 4.1Å; N163-A194 WeakPolarHBondContact OD1-CA 3.5Å; I174-A194 HydrophobicContact CB-CB 4.22Å; I174-A194 HydrophobicContact CD1-CB 3.85Å; I174-A194 HydrophobicContact CG2-CB 4.42Å; L189-A194 VanDerWaalsContact C-CB 3.46Å; L189-A194 HydrophobicContact CB-CB 3.82Å; L189-A194 VanDerWaalsContact O-CB 3.25Å; L189-A194 WeakPolarHBondContact O-CB 3.43Å; L189-A194 PolarHBondContact O-N 3.15Å
195D77Confident88.6Confident33 Ų3334.9 Ų34.918%0.17621%0.207CC..  trans-81.2128.6175.5177.317.3000110N163 G193 C197 I198N163-D195 PolarHBondContact OD1-N 2.95Å; G193-D195 PolarHBondContact O-N 3.41Å; D195-C197 WeakPolarHBondContact OD1-CA 3.39Å; D195-C197 WeakPolarHBondContact OD1-CB 3.39Å; D195-C197 PolarHBondContact OD1-N 2.91Å; D195-I198 HydrophobicContact CB-CB 4.14Å; D195-I198 WeakPolarHBondContact O-CG2 3.34Å; D195-I198 PolarHBondContact OD2-N 3.29Å
196V80.9Confident88.1Confident11 Ų1134.8 Ų34.87%0.06721%0.207CC..SBendtrans-79.3-25.5175.9-179.20000111.2L190 V206 I207 L247L190-V196 HydrophobicContact CD2-CG2 3.65Å; V196-V206 WeakPolarHBondContact O-CG2 3.08Å; V196-I207 HydrophobicContact CG1-CD1 3.79Å; V196-I207 HydrophobicContact CG1-CG1 3.86Å; V196-L247 HydrophobicContact CG1-CB 4.3Å; V196-L247 HydrophobicContact CG1-CD2 4.26Å; V196-L247 HydrophobicContact CG2-CD2 4.47Å
197C80Confident87.5Confident36 Ų3636.3 Ų36.324%0.24322%0.215CC..SBendtrans-85.8-5.3-179.9-63.80000113.8D195 R199D195-C197 WeakPolarHBondContact OD1-CA 3.39Å; D195-C197 WeakPolarHBondContact OD1-CB 3.39Å; D195-C197 PolarHBondContact OD1-N 2.91Å; C197-R199 PolarHBondContact O-N 3.14Å
198I79.8Confident87Confident20 Ų2039.1 Ų39.110%0.10323%0.23CC..  trans-58.7135.7177.5-165.8168.1000109.9N163 L165 A172 I174 H175 D195 V206N163-I198 HydrophobicContact CB-CD1 4.07Å; L165-I198 HydrophobicContact CD2-CD1 4.11Å; L165-I198 HydrophobicContact CD2-CG1 4.32Å; L165-I198 HydrophobicContact CG-CD1 4.23Å; A172-I198 HydrophobicContact CB-CD1 3.95Å; A172-I198 HydrophobicContact CB-CG2 4.32Å; I174-I198 HydrophobicContact CG2-CG2 3.96Å; H175-I198 PolarHBondContact CE1-O 2.93Å; H175-I198 PolarHBondContact NE2-O 2.92Å; D195-I198 HydrophobicContact CB-CB 4.14Å; D195-I198 WeakPolarHBondContact O-CG2 3.34Å; D195-I198 PolarHBondContact OD2-N 3.29Å; I198-V206 HydrophobicContact CG2-CG2 4.03Å
199R86.2Confident86.6Confident146 Ų14640.2 Ų40.255%0.55124%0.236SC*.BIsolated β-bridgetrans-105.8142-179-69.6177.7-175.7-95.4-1.9111.2C197 G203 K204 T205C197-R199 PolarHBondContact O-N 3.14Å; R199-G203 WeakPolarHBondContact CD-O 3.13Å; R199-G203 PolarHBondContact NH1-O 3.38Å; R199-K204 CarbonylContact C-O 3.56Å; R199-K204 VanDerWaalsContact CA-O 3.3Å; R199-K204 WeakPolarHBondContact CA-O 3.27Å; R199-T205 HydrophobicContact CG-CG2 3.77Å
200N91.6Very high86.2Confident21 Ų2140.4 Ų40.411%0.11224%0.237CC..  trans-80.3175.8170.373.97.9000111.6G170 T171 H175 S202 G203 K204G170-N200 CarbonylContact O-C 3.38Å; G170-N200 WeakPolarHBondContact O-CA 3.19Å; G170-N200 VanDerWaalsContact O-CB 3.22Å; G170-N200 WeakPolarHBondContact O-CB 3.41Å; T171-N200 HydrophobicContact CG2-CB 3.84Å; H175-N200 PolarHBondContact CE1-N 3.46Å; H175-N200 PolarHBondContact NE2-N 3.27Å; N200-S202 PolarHBondContact ND2-OG 3.08Å; N200-S202 PolarHBondContact O-N 3.42Å; N200-S202 WeakPolarHBondContact OD1-CA 3.17Å; N200-S202 PolarHBondContact OD1-N 3.45Å; N200-S202 PolarHBondContact OD1-OG 2.98Å; N200-G203 WeakPolarHBondContact O-CA 3.12Å; N200-G203 PolarHBondContact O-N 2.9Å; N200-G203 PolarHBondContact OD1-N 3.13Å; N200-G203 VanDerWaalsContact OD1-N 3.13Å; N200-K204 PolarHBondContact N-O 3.04Å; N200-K204 PolarHBondContact OD1-N 3.45Å; N200-K204 PolarHBondContact OD1-O 3.46Å
201S90.6Very high86Confident107 Ų10740.7 Ų40.775%0.74824%0.239SC*.THydrogen-bonded Turntrans-66.2-13.7177.6-64.90000114.9G170 G203G170-S201 WeakPolarHBondContact CA-OG 3.28Å; G170-S201 PolarHBondContact O-N 3.17Å; S201-G203 VanDerWaalsContact C-N 3.26Å
202S88.1Confident85.7Confident84 Ų8443.9 Ų43.959%0.58726%0.255SS*.THydrogen-bonded Turntrans-88.18.8167.773.20000112.8N200 K204N200-S202 PolarHBondContact ND2-OG 3.08Å; N200-S202 PolarHBondContact O-N 3.42Å; N200-S202 WeakPolarHBondContact OD1-CA 3.17Å; N200-S202 PolarHBondContact OD1-N 3.45Å; N200-S202 PolarHBondContact OD1-OG 2.98Å; S202-K204 PolarHBondContact O-N 3.39Å
203G85.5Confident85.3Confident35 Ų3544.9 Ų44.936%0.36126%0.261SS..SBendtrans74.9-2.4-179.500000115.3R199 N200 S201R199-G203 WeakPolarHBondContact CD-O 3.13Å; R199-G203 PolarHBondContact NH1-O 3.38Å; N200-G203 WeakPolarHBondContact O-CA 3.12Å; N200-G203 PolarHBondContact O-N 2.9Å; N200-G203 PolarHBondContact OD1-N 3.13Å; N200-G203 VanDerWaalsContact OD1-N 3.13Å; S201-G203 VanDerWaalsContact C-N 3.26Å
204K87.3Confident85.4Confident78 Ų7843 Ų4334%0.33924%0.241SC..  trans-78.8143.2-179.9-67.4-168.2174.2-164.80110.5H175 R199 N200 S202 D208 D212H175-K204 PolarHBondContact NE2-O 2.95Å; R199-K204 CarbonylContact C-O 3.56Å; R199-K204 VanDerWaalsContact CA-O 3.3Å; R199-K204 WeakPolarHBondContact CA-O 3.27Å; N200-K204 PolarHBondContact N-O 3.04Å; N200-K204 PolarHBondContact OD1-N 3.45Å; N200-K204 PolarHBondContact OD1-O 3.46Å; S202-K204 PolarHBondContact O-N 3.39Å; K204-D208 HydrophobicContact CB-CB 4Å; K204-D208 HydrophobicContact CD-CB 4.46Å; K204-D208 HydrophobicContact CG-CB 4.32Å; K204-D212 WeakPolarHBondContact CD-OD2 3.5Å; K204-D212 IonicContact NZ-OD1 2.8Å; K204-D212 PolarHBondContact NZ-OD1 2.91Å; K204-D212 VanDerWaalsContact NZ-OD1 3.13Å; K204-D212 IonicContact NZ-OD2 2.74Å; K204-D212 PolarHBondContact NZ-OD2 3.26Å
205T87.1Confident85Confident14 Ų1444.4 Ų44.49%0.08625%0.246CC..BIsolated β-bridgetrans-85.9176.7171.265.80000111.3R199 I207 D208 I209R199-T205 HydrophobicContact CG-CG2 3.77Å; T205-I207 VanDerWaalsContact C-N 3.34Å; T205-I207 PolarHBondContact OG1-N 2.97Å; T205-D208 WeakPolarHBondContact CB-OD2 3.43Å; T205-D208 PolarHBondContact N-OD2 3.35Å; T205-D208 PolarHBondContact O-N 3.11Å; T205-D208 PolarHBondContact OG1-N 2.84Å; T205-D208 PolarHBondContact OG1-OD2 3.39Å; T205-I209 PolarHBondContact O-N 2.82Å
206V87.3Confident85.2Confident0 Ų045.5 Ų45.50%026%0.26CS..Hα-helixtrans-61.7-40.4173.4-170.70000112.1I174 C178 V196 I198 I209 A210 L247I174-V206 HydrophobicContact CD1-CG1 4.24Å; I174-V206 HydrophobicContact CD1-CG2 4.36Å; I174-V206 HydrophobicContact CG1-CG1 3.85Å; I174-V206 HydrophobicContact CG1-CG2 4.19Å; I174-V206 HydrophobicContact CG2-CG2 3.76Å; C178-V206 HydrophobicContact CB-CG1 4.03Å; C178-V206 WeakPolarHBondContact SG-CG1 3.33Å; V196-V206 WeakPolarHBondContact O-CG2 3.08Å; I198-V206 HydrophobicContact CG2-CG2 4.03Å; V206-I209 PolarHBondContact O-N 3.06Å; V206-A210 PolarHBondContact O-N 3.29Å; V206-L247 HydrophobicContact CB-CD2 4.48Å; V206-L247 HydrophobicContact CG1-CD1 3.79Å; V206-L247 HydrophobicContact CG1-CD2 3.59Å; V206-L247 HydrophobicContact CG1-CG 4.35Å
207I82.5Confident85Confident32 Ų3249.5 Ų49.516%0.16428%0.28CS..Hα-helixtrans-68.4-40.4179.5-67.5173.8000110.9V196 T205 I209 A210 L211 L247 V248V196-I207 HydrophobicContact CG1-CD1 3.79Å; V196-I207 HydrophobicContact CG1-CG1 3.86Å; T205-I207 VanDerWaalsContact C-N 3.34Å; T205-I207 PolarHBondContact OG1-N 2.97Å; I207-I209 VanDerWaalsContact C-N 3.3Å; I207-I209 PolarHBondContact O-N 3.3Å; I207-A210 PolarHBondContact O-N 2.97Å; I207-A210 VanDerWaalsContact O-N 3.08Å; I207-L211 HydrophobicContact CG2-CD1 3.91Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 PolarHBondContact O-N 3.23Å; I207-L247 HydrophobicContact CG1-CB 3.97Å; I207-L247 HydrophobicContact CG1-CD1 4.11Å; I207-V248 HydrophobicContact CD1-CG2 4.5Å
208D84.8Confident84.6Confident58 Ų5850 Ų5031%0.3128%0.281SS..Hα-helixtrans-57.3-44.1176.6-59.6-46.6000111.1K204 T205 A210 L211 D212K204-D208 HydrophobicContact CB-CB 4Å; K204-D208 HydrophobicContact CD-CB 4.46Å; K204-D208 HydrophobicContact CG-CB 4.32Å; T205-D208 WeakPolarHBondContact CB-OD2 3.43Å; T205-D208 PolarHBondContact N-OD2 3.35Å; T205-D208 PolarHBondContact O-N 3.11Å; T205-D208 PolarHBondContact OG1-N 2.84Å; T205-D208 PolarHBondContact OG1-OD2 3.39Å; D208-A210 PolarHBondContact O-N 3.26Å; D208-L211 PolarHBondContact O-N 3.17Å; D208-D212 WeakPolarHBondContact O-CB 3.43Å; D208-D212 PolarHBondContact O-N 2.96Å
209I88.8Confident84.1Confident24 Ų2453.9 Ų53.912%0.12330%0.299CS..Hα-helixtrans-65-37.1176.5-65.1-175000112H175 Q179 T205 V206 I207 K213H175-I209 HydrophobicContact CB-CD1 4.11Å; Q179-I209 HydrophobicContact CB-CG2 4.17Å; T205-I209 PolarHBondContact O-N 2.82Å; V206-I209 PolarHBondContact O-N 3.06Å; I207-I209 VanDerWaalsContact C-N 3.3Å; I207-I209 PolarHBondContact O-N 3.3Å; I209-K213 VanDerWaalsContact O-CB 3.31Å; I209-K213 WeakPolarHBondContact O-CB 3.36Å; I209-K213 PolarHBondContact O-N 3.31Å; I209-K213 VanDerWaalsContact O-N 3.09Å
210A88.2Confident83Confident4 Ų451.3 Ų51.33%0.03330%0.303CS..Hα-helixtrans-67.4-40.617800000111.9V206 I207 D208 A214 M243 V244 L247V206-A210 PolarHBondContact O-N 3.29Å; I207-A210 PolarHBondContact O-N 2.97Å; I207-A210 VanDerWaalsContact O-N 3.08Å; D208-A210 PolarHBondContact O-N 3.26Å; A210-A214 WeakPolarHBondContact O-CB 3.35Å; A210-A214 PolarHBondContact O-N 3.45Å; A210-A214 VanDerWaalsContact O-N 3.08Å; A210-M243 HydrophobicContact CB-CG 3.95Å; A210-V244 HydrophobicContact CB-CG2 3.86Å; A210-L247 HydrophobicContact CB-CD1 3.8Å
211L85Confident81.5Confident36 Ų3657 Ų5719%0.18833%0.331CS..Hα-helixtrans-69.7-46.9175.7-69.7170.4000112.1I207 D208 K213 A214 L215 L236 A239 V244I207-L211 HydrophobicContact CG2-CD1 3.91Å; I207-L211 HydrophobicContact CG2-CG 4.33Å; I207-L211 PolarHBondContact O-N 3.23Å; D208-L211 PolarHBondContact O-N 3.17Å; L211-K213 VanDerWaalsContact C-N 3.25Å; L211-K213 PolarHBondContact O-N 3.08Å; L211-A214 PolarHBondContact O-N 3.12Å; L211-L215 WeakPolarHBondContact O-CG 3.34Å; L211-L215 PolarHBondContact O-N 3.16Å; L211-L236 HydrophobicContact CD2-CD2 4.24Å; L211-A239 HydrophobicContact CD2-CB 3.77Å; L211-V244 HydrophobicContact CD2-CG1 4.38Å; L211-V244 HydrophobicContact CD2-CG2 3.91Å; L211-V244 HydrophobicContact CG-CG2 4.29Å
212D85.2Confident79.5Confident70 Ų7054.2 Ų54.237%0.37431%0.312SS..Hα-helixtrans-51.4-47.2174-74.6-39.6000110.7K204 D208 A216K204-D212 WeakPolarHBondContact CD-OD2 3.5Å; K204-D212 IonicContact NZ-OD1 2.8Å; K204-D212 PolarHBondContact NZ-OD1 2.91Å; K204-D212 VanDerWaalsContact NZ-OD1 3.13Å; K204-D212 IonicContact NZ-OD2 2.74Å; K204-D212 PolarHBondContact NZ-OD2 3.26Å; D208-D212 WeakPolarHBondContact O-CB 3.43Å; D208-D212 PolarHBondContact O-N 2.96Å; D212-A216 WeakPolarHBondContact O-CB 3.3Å; D212-A216 PolarHBondContact O-N 3.26Å
213K85.3Confident77.7Confident76 Ų7654.5 Ų54.533%0.3331%0.314SS..Hα-helixtrans-68.5-38.9-178.3-176.1175.3177.9178.10112.5Q179 I209 L211 L217Q179-K213 WeakPolarHBondContact O-CD 3.45Å; Q179-K213 PolarHBondContact O-NZ 2.9Å; I209-K213 VanDerWaalsContact O-CB 3.31Å; I209-K213 WeakPolarHBondContact O-CB 3.36Å; I209-K213 PolarHBondContact O-N 3.31Å; I209-K213 VanDerWaalsContact O-N 3.09Å; L211-K213 VanDerWaalsContact C-N 3.25Å; L211-K213 PolarHBondContact O-N 3.08Å; K213-L217 HydrophobicContact CG-CD1 4.34Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.24Å; K213-L217 VanDerWaalsContact O-N 3.08Å
214A83.3Confident76Confident8 Ų861.6 Ų61.67%0.06634%0.335CS..Hα-helixtrans-68.2-40.8177.300000111.8A210 L211 L217 N218 A239A210-A214 WeakPolarHBondContact O-CB 3.35Å; A210-A214 PolarHBondContact O-N 3.45Å; A210-A214 VanDerWaalsContact O-N 3.08Å; L211-A214 PolarHBondContact O-N 3.12Å; A214-L217 PolarHBondContact O-N 3.41Å; A214-N218 PolarHBondContact O-N 3.32Å; A214-N218 VanDerWaalsContact O-N 3.08Å; A214-N218 PolarHBondContact O-ND2 3.38Å; A214-A239 HydrophobicContact CB-CB 4.14Å; A214-A239 WeakPolarHBondContact CB-O 3.36Å
215L80.7Confident74.1Confident39 Ų3966 Ų6620%0.20436%0.357CS..Hα-helixtrans-62.2-46.9173-70.8171.7000111.7L211 L217 N218 E219 A239L211-L215 WeakPolarHBondContact O-CG 3.34Å; L211-L215 PolarHBondContact O-N 3.16Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 3.27Å; L215-N218 PolarHBondContact O-N 3.36Å; L215-N218 VanDerWaalsContact O-N 3.08Å; L215-E219 WeakPolarHBondContact O-CG 3.41Å; L215-E219 PolarHBondContact O-N 2.84Å; L215-A239 HydrophobicContact CD2-CB 3.93Å; L215-A239 HydrophobicContact CG-CB 3.92Å
216A81.9Confident72.3Confident57 Ų5772.1 Ų72.147%0.47138%0.382SS..Hα-helixtrans-61.8-31.8177.900000113.3D212 S220D212-A216 WeakPolarHBondContact O-CB 3.3Å; D212-A216 PolarHBondContact O-N 3.26Å; A216-S220 PolarHBondContact O-N 3.36Å
217L76Confident70.6Confident94 Ų9472.9 Ų72.949%0.49239%0.386SS..Hα-helixtrans-69-43.7171.8-74.3166.2000111.4K213 A214 L215 E219 S220 I221K213-L217 HydrophobicContact CG-CD1 4.34Å; K213-L217 WeakPolarHBondContact O-CG 3.38Å; K213-L217 PolarHBondContact O-N 3.24Å; K213-L217 VanDerWaalsContact O-N 3.08Å; A214-L217 PolarHBondContact O-N 3.41Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 3.27Å; L217-E219 PolarHBondContact O-N 3.2Å; L217-S220 PolarHBondContact O-N 3.41Å; L217-S220 VanDerWaalsContact O-N 3.09Å; L217-S220 PolarHBondContact O-OG 3.47Å; L217-I221 WeakPolarHBondContact O-CG1 3.23Å; L217-I221 PolarHBondContact O-N 3.1Å
218N71.9Confident69.4Low47 Ų4777.1 Ų77.125%0.25141%0.414SS..Hα-helixtrans-65.1-36.3176-67.4-22.7000112.9A214 L215 S220 I221 S222 S238A214-N218 PolarHBondContact O-N 3.32Å; A214-N218 VanDerWaalsContact O-N 3.08Å; A214-N218 PolarHBondContact O-ND2 3.38Å; L215-N218 PolarHBondContact O-N 3.36Å; L215-N218 VanDerWaalsContact O-N 3.08Å; N218-S220 PolarHBondContact O-N 2.9Å; N218-I221 PolarHBondContact O-N 2.89Å; N218-S222 PolarHBondContact O-N 3.06Å; N218-S238 PolarHBondContact ND2-O 2.8Å
219E68.9Low68Low102 Ų10279 Ų7948%0.47743%0.431SS..THydrogen-bonded Turntrans-64.2-17.4173.1-73.8176.8-171.400113.3L215 L217 I227L215-E219 WeakPolarHBondContact O-CG 3.41Å; L215-E219 PolarHBondContact O-N 2.84Å; L217-E219 PolarHBondContact O-N 3.2Å; E219-I227 HydrophobicContact CB-CD1 4.37Å; E219-I227 HydrophobicContact CG-CD1 3.59Å
220S63.8Low66.2Low91 Ų9180.1 Ų80.164%0.63644%0.436SS*.THydrogen-bonded Turntrans-90.1-10.3171.275.10000114.3A216 L217 N218A216-S220 PolarHBondContact O-N 3.36Å; L217-S220 PolarHBondContact O-N 3.41Å; L217-S220 VanDerWaalsContact O-N 3.09Å; L217-S220 PolarHBondContact O-OG 3.47Å; N218-S220 PolarHBondContact O-N 2.9Å
221I59.1Low64.7Low140 Ų14082.5 Ų82.572%0.71845%0.453SS*.THydrogen-bonded Turntrans-112.6-25.7-175.1-63.9167.2000111.7L217 N218L217-I221 WeakPolarHBondContact O-CG1 3.23Å; L217-I221 PolarHBondContact O-N 3.1Å; N218-I221 PolarHBondContact O-N 2.89Å
222S49.8Very low63.2Low50 Ų5083.3 Ų83.335%0.3546%0.462SS..SBendtrans-117.3142.9-178.2-148.10000111.9N218N218-S222 PolarHBondContact O-N 3.06Å
223S49Very low61.8Low89 Ų8986.9 Ų86.962%0.62248%0.476SS*.  trans-62.3138.217852.10000111.4E225 K226S223-E225 PolarHBondContact O-N 3.5Å; S223-K226 PolarHBondContact O-N 3.38Å
224K50.4Low60.6Low185 Ų18587.8 Ų87.880%0.80448%0.481SS*.THydrogen-bonded Turntrans-56.1-25.1-163.9-72179.9176.6173.90115.4
225E47.3Very low59.4Low170 Ų17091.5 Ų91.579%0.79449%0.494SS*.THydrogen-bonded Turntrans-66.7-36-177.6-58.8-168.3121.900112.9S223 I227S223-E225 PolarHBondContact O-N 3.5Å; E225-I227 PolarHBondContact O-N 3.24Å
226K49.8Very low58.5Low142 Ų14292.6 Ų92.662%0.61750%0.5SS*.THydrogen-bonded Turntrans-73.2-26-167.3-156.9169.6-173.3176.20114S223 S229 M230S223-K226 PolarHBondContact O-N 3.38Å; K226-S229 PolarHBondContact O-OG 3.03Å; K226-S229 VanDerWaalsContact O-OG 3.13Å; K226-M230 WeakPolarHBondContact O-CG 3.43Å
227I51.6Low57.7Low16 Ų1696.5 Ų96.58%0.08251%0.508CS..THydrogen-bonded Turntrans-80.6-20.6-174.9-67171.1000112.4E219 E225 M230 R235E219-I227 HydrophobicContact CB-CD1 4.37Å; E219-I227 HydrophobicContact CG-CD1 3.59Å; E225-I227 PolarHBondContact O-N 3.24Å; I227-M230 HydrophobicContact CG1-SD 4.15Å; I227-R235 PolarHBondContact O-NH1 3.47Å; I227-R235 VanDerWaalsContact O-NH1 3.14Å
228V56.6Low57.3Low122 Ų12294.2 Ų94.274%0.73950%0.5SS*.THydrogen-bonded Turntrans-74.8-30.5179.5-176.10000111.9
229S55Low57.3Low98 Ų9892 Ų9269%0.68549%0.488SS*.SBendtrans-88.3-11.4179.552.30000115.3K226K226-S229 PolarHBondContact O-OG 3.03Å; K226-S229 VanDerWaalsContact O-OG 3.13Å
230M52.4Low57.6Low46 Ų4692.7 Ų92.723%0.22749%0.487CS..  trans-69.4134.5-176.8-73.1167.676.800112K226 I227 E234 R235 S238K226-M230 WeakPolarHBondContact O-CG 3.43Å; I227-M230 HydrophobicContact CG1-SD 4.15Å; M230-E234 HydrophobicContact CB-CB 4.09Å; M230-E234 HydrophobicContact CE-CB 3.83Å; M230-E234 WeakPolarHBondContact CE-O 3.32Å; M230-E234 HydrophobicContact CG-CB 4.36Å; M230-R235 HydrophobicContact CB-CG 3.57Å; M230-R235 WeakPolarHBondContact O-CD 3.3Å; M230-S238 WeakPolarHBondContact CE-OG 3.35Å
231S55.3Low58.5Low55 Ų5590.2 Ų90.239%0.38547%0.469SS..  trans-61.6162.7172.666.80000111.9E233 E234 R235S231-E233 PolarHBondContact O-N 3.36Å; S231-E233 VanDerWaalsContact O-N 3.16Å; S231-E234 WeakPolarHBondContact CB-OE2 3.36Å; S231-E234 PolarHBondContact N-OE2 3.4Å; S231-E234 PolarHBondContact O-N 2.89Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 3.05Å; S231-E234 PolarHBondContact OG-OE2 3.42Å; S231-R235 WeakPolarHBondContact O-CG 3.35Å; S231-R235 PolarHBondContact O-N 3.02Å
232S54.6Low59.8Low53 Ų5387.5 Ų87.537%0.37146%0.463SS..Hα-helixtrans-57.3-31.4177.7-55.60000113L236S232-L236 WeakPolarHBondContact O-CB 3.35Å; S232-L236 WeakPolarHBondContact O-CG 3.48Å; S232-L236 PolarHBondContact O-N 2.82Å
233E54.7Low61.7Low145 Ų14585.8 Ų85.868%0.67845%0.449SS*.Hα-helixtrans-77.1-42.1-178.8-162.5160.4-16300111.6S231 L236 Q237S231-E233 PolarHBondContact O-N 3.36Å; S231-E233 VanDerWaalsContact O-N 3.16Å; E233-L236 PolarHBondContact O-N 2.73Å; E233-Q237 WeakPolarHBondContact O-CG 3.43Å; E233-Q237 PolarHBondContact O-N 3.35Å
234E59.5Low63.4Low94 Ų9481.7 Ų81.744%0.43942%0.421SS..Hα-helixtrans-65.6-36.8172-68.1163.511500112.4M230 S231 L236 Q237 S238M230-E234 HydrophobicContact CB-CB 4.09Å; M230-E234 HydrophobicContact CE-CB 3.83Å; M230-E234 WeakPolarHBondContact CE-O 3.32Å; M230-E234 HydrophobicContact CG-CB 4.36Å; S231-E234 WeakPolarHBondContact CB-OE2 3.36Å; S231-E234 PolarHBondContact N-OE2 3.4Å; S231-E234 PolarHBondContact O-N 2.89Å; S231-E234 WeakPolarHBondContact OG-CG 3.37Å; S231-E234 PolarHBondContact OG-N 3.05Å; S231-E234 PolarHBondContact OG-OE2 3.42Å; E234-L236 VanDerWaalsContact C-N 3.35Å; E234-Q237 PolarHBondContact O-N 3.32Å; E234-S238 WeakPolarHBondContact O-CB 3.47Å; E234-S238 PolarHBondContact O-N 3.32Å; E234-S238 PolarHBondContact O-OG 2.91Å
235R60Low64.9Low87 Ų8776 Ų7633%0.32840%0.399SS..Hα-helixtrans-67.9-34174.4-67-176.781.6148.74112I227 M230 S231 S238 A239I227-R235 PolarHBondContact O-NH1 3.47Å; I227-R235 VanDerWaalsContact O-NH1 3.14Å; M230-R235 HydrophobicContact CB-CG 3.57Å; M230-R235 WeakPolarHBondContact O-CD 3.3Å; S231-R235 WeakPolarHBondContact O-CG 3.35Å; S231-R235 PolarHBondContact O-N 3.02Å; R235-S238 WeakPolarHBondContact CA-OG 3.45Å; R235-S238 PolarHBondContact O-OG 3.32Å; R235-A239 WeakPolarHBondContact O-CB 3.39Å; R235-A239 PolarHBondContact O-N 3.34Å
236L60.4Low66.8Low62 Ų6268.1 Ų68.133%0.32536%0.362SS..Hα-helixtrans-69.7-44.4170.9-83.6165.6000112.5L211 S232 E233 E234 A239 W240L211-L236 HydrophobicContact CD2-CD2 4.24Å; S232-L236 WeakPolarHBondContact O-CB 3.35Å; S232-L236 WeakPolarHBondContact O-CG 3.48Å; S232-L236 PolarHBondContact O-N 2.82Å; E233-L236 PolarHBondContact O-N 2.73Å; E234-L236 VanDerWaalsContact C-N 3.35Å; L236-A239 CarbonylContact O-C 3.57Å; L236-A239 PolarHBondContact O-N 3.14Å; L236-W240 PolarHBondContact O-N 3.36Å
237Q66.4Low68.5Low139 Ų13961.4 Ų61.465%0.6533%0.333SS*.Hα-helixtrans-63.5-41.7178.7-76.4178.7-13.200112.2E233 E234 W240E233-Q237 WeakPolarHBondContact O-CG 3.43Å; E233-Q237 PolarHBondContact O-N 3.35Å; E234-Q237 PolarHBondContact O-N 3.32Å; Q237-W240 WeakPolarHBondContact O-CB 3.24Å; Q237-W240 PolarHBondContact O-N 2.97Å
238S66.9Low69.6Low45 Ų4561.4 Ų61.432%0.31533%0.334SS..Hα-helixtrans-69.7-36.9174.454.90000112.7N218 M230 E234 R235 W240N218-S238 PolarHBondContact ND2-O 2.8Å; M230-S238 WeakPolarHBondContact CE-OG 3.35Å; E234-S238 WeakPolarHBondContact O-CB 3.47Å; E234-S238 PolarHBondContact O-N 3.32Å; E234-S238 PolarHBondContact O-OG 2.91Å; R235-S238 WeakPolarHBondContact CA-OG 3.45Å; R235-S238 PolarHBondContact O-OG 3.32Å; S238-W240 PolarHBondContact O-N 2.86Å
239A71.1Confident70.5Confident2 Ų257 Ų572%0.01731%0.308CS..Hα-helixtrans-74.6-6.3173.600000114.2L211 A214 L215 R235 L236 S241L211-A239 HydrophobicContact CD2-CB 3.77Å; A214-A239 HydrophobicContact CB-CB 4.14Å; A214-A239 WeakPolarHBondContact CB-O 3.36Å; L215-A239 HydrophobicContact CD2-CB 3.93Å; L215-A239 HydrophobicContact CG-CB 3.92Å; R235-A239 WeakPolarHBondContact O-CB 3.39Å; R235-A239 PolarHBondContact O-N 3.34Å; L236-A239 CarbonylContact O-C 3.57Å; L236-A239 PolarHBondContact O-N 3.14Å; A239-S241 PolarHBondContact O-N 3.43Å; A239-S241 VanDerWaalsContact O-N 3.15Å
240W75.4Confident71.4Confident116 Ų11653.2 Ų53.244%0.43928%0.283SS..  trans-72112.6-177.2-155.2-84.4000110.6L236 Q237 S238 V244 V248L236-W240 PolarHBondContact O-N 3.36Å; Q237-W240 WeakPolarHBondContact O-CB 3.24Å; Q237-W240 PolarHBondContact O-N 2.97Å; S238-W240 PolarHBondContact O-N 2.86Å; W240-V244 HydrophobicContact CD2-CG1 4.16Å; W240-V244 HydrophobicContact CE3-CG1 4.08Å; W240-V244 HydrophobicContact CH2-CG1 4.38Å; W240-V244 HydrophobicContact CZ2-CG1 4.43Å; W240-V244 HydrophobicContact CZ3-CG1 4.2Å; W240-V248 HydrophobicContact CH2-CG1 4.27Å; W240-V248 HydrophobicContact CH2-CG2 4.28Å
241S83.8Confident72.1Confident39 Ų3953.1 Ų53.127%0.27328%0.281SS..  trans-126162.5-178.863.20000110.6A239 M243 V244 D245A239-S241 PolarHBondContact O-N 3.43Å; A239-S241 VanDerWaalsContact O-N 3.15Å; S241-M243 PolarHBondContact O-N 3.28Å; S241-V244 PolarHBondContact O-N 3.05Å; S241-V244 PolarHBondContact OG-N 3.24Å; S241-D245 PolarHBondContact O-N 3.12Å
242S86.3Confident72.4Confident82 Ų8254.3 Ų54.357%0.57328%0.277SS*.Hα-helixtrans-57.5-21175.4-46.50000113.4V246S242-V246 VanDerWaalsContact O-CB 3.3Å; S242-V246 WeakPolarHBondContact O-CB 3.46Å; S242-V246 WeakPolarHBondContact O-CG2 3.36Å; S242-V246 PolarHBondContact O-N 3.06Å; S242-V246 VanDerWaalsContact O-N 3.11Å
243M88.9Confident72.8Confident15 Ų1553.6 Ų53.67%0.07427%0.269CS..Hα-helixtrans-73.7-45.6171.6-174.76475.100111.8C178 G181 I183 V186 A210 S241 V246 L247C178-M243 HydrophobicContact CB-CG 4.45Å; C178-M243 HydrophobicContact CB-SD 4.25Å; G181-M243 VanDerWaalsContact C-CE 3.42Å; I183-M243 HydrophobicContact CB-CE 4.47Å; I183-M243 HydrophobicContact CG1-CE 3.59Å; I183-M243 HydrophobicContact CG1-SD 4.22Å; V186-M243 HydrophobicContact CB-SD 4.47Å; V186-M243 HydrophobicContact CG2-CE 4.15Å; V186-M243 HydrophobicContact CG2-SD 3.83Å; A210-M243 HydrophobicContact CB-CG 3.95Å; S241-M243 PolarHBondContact O-N 3.28Å; M243-V246 PolarHBondContact O-N 3.47Å; M243-L247 HydrophobicContact CG-CD1 4.31Å; M243-L247 VanDerWaalsContact O-CG 3.29Å; M243-L247 WeakPolarHBondContact O-CG 3.24Å; M243-L247 PolarHBondContact O-N 3.01Å
244V84.7Confident72.7Confident3 Ų348.5 Ų48.52%0.01825%0.247CC..Hα-helixtrans-62.2-46.9175.11750000109.8A210 L211 W240 S241 V246 L247 V248A210-V244 HydrophobicContact CB-CG2 3.86Å; L211-V244 HydrophobicContact CD2-CG1 4.38Å; L211-V244 HydrophobicContact CD2-CG2 3.91Å; L211-V244 HydrophobicContact CG-CG2 4.29Å; W240-V244 HydrophobicContact CD2-CG1 4.16Å; W240-V244 HydrophobicContact CE3-CG1 4.08Å; W240-V244 HydrophobicContact CH2-CG1 4.38Å; W240-V244 HydrophobicContact CZ2-CG1 4.43Å; W240-V244 HydrophobicContact CZ3-CG1 4.2Å; S241-V244 PolarHBondContact O-N 3.05Å; S241-V244 PolarHBondContact OG-N 3.24Å; V244-V246 VanDerWaalsContact C-N 3.33Å; V244-V246 PolarHBondContact O-N 3.49Å; V244-L247 PolarHBondContact O-N 2.97Å; V244-V248 HydrophobicContact CG1-CG2 4.03Å; V244-V248 WeakPolarHBondContact O-CB 3.42Å; V244-V248 VanDerWaalsContact O-CG2 3.27Å; V244-V248 WeakPolarHBondContact O-CG2 3.37Å; V244-V248 PolarHBondContact O-N 3.19Å
245D82.5Confident72.3Confident66 Ų6644.8 Ų44.835%0.35323%0.23SC..Hα-helixtrans-56.4-43.6176.3-174.168.9000112.7S241 S249S241-D245 PolarHBondContact O-N 3.12Å; D245-S249 WeakPolarHBondContact O-CB 3.31Å; D245-S249 PolarHBondContact O-N 2.9Å; D245-S249 PolarHBondContact O-OG 3.33Å
246V87.5Confident71.9Confident4 Ų443.5 Ų43.52%0.02423%0.23CC..Hα-helixtrans-63.4-45.5175.9157.70000112.3R54 S56 I183 V186 L190 S242 M243 V244 A250R54-V246 PolarHBondContact NH1-O 3.25Å; S56-V246 VanDerWaalsContact OG-CG2 3.3Å; S56-V246 WeakPolarHBondContact OG-CG2 3.49Å; I183-V246 HydrophobicContact CG2-CG2 4.02Å; V186-V246 HydrophobicContact CG1-CG1 4.03Å; L190-V246 HydrophobicContact CD1-CG1 4.43Å; S242-V246 VanDerWaalsContact O-CB 3.3Å; S242-V246 WeakPolarHBondContact O-CB 3.46Å; S242-V246 WeakPolarHBondContact O-CG2 3.36Å; S242-V246 PolarHBondContact O-N 3.06Å; S242-V246 VanDerWaalsContact O-N 3.11Å; M243-V246 PolarHBondContact O-N 3.47Å; V244-V246 VanDerWaalsContact C-N 3.33Å; V244-V246 PolarHBondContact O-N 3.49Å; V246-A250 WeakPolarHBondContact O-CB 3.38Å; V246-A250 PolarHBondContact O-N 3.34Å
247L83.7Confident71.6Confident0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-68.4-45.2-179.5-67.9169.1000112.2I174 V186 V196 V206 I207 A210 M243 V244 A250 Y251I174-L247 HydrophobicContact CD1-CD2 4.35Å; V186-L247 HydrophobicContact CG1-CD2 3.83Å; V196-L247 HydrophobicContact CG1-CB 4.3Å; V196-L247 HydrophobicContact CG1-CD2 4.26Å; V196-L247 HydrophobicContact CG2-CD2 4.47Å; V206-L247 HydrophobicContact CB-CD2 4.48Å; V206-L247 HydrophobicContact CG1-CD1 3.79Å; V206-L247 HydrophobicContact CG1-CD2 3.59Å; V206-L247 HydrophobicContact CG1-CG 4.35Å; I207-L247 HydrophobicContact CG1-CB 3.97Å; I207-L247 HydrophobicContact CG1-CD1 4.11Å; A210-L247 HydrophobicContact CB-CD1 3.8Å; M243-L247 HydrophobicContact CG-CD1 4.31Å; M243-L247 VanDerWaalsContact O-CG 3.29Å; M243-L247 WeakPolarHBondContact O-CG 3.24Å; M243-L247 PolarHBondContact O-N 3.01Å; V244-L247 PolarHBondContact O-N 2.97Å; L247-A250 PolarHBondContact O-N 2.95Å; L247-Y251 PolarHBondContact O-N 3.31Å; L247-Y251 VanDerWaalsContact O-N 3.1Å
248V76.3Confident71Confident16 Ų1636 Ų3610%0.09720%0.197CC..Hα-helixtrans-64.1-49.2178171.30000109.9I207 W240 V244 A250 Y251 Y252I207-V248 HydrophobicContact CD1-CG2 4.5Å; W240-V248 HydrophobicContact CH2-CG1 4.27Å; W240-V248 HydrophobicContact CH2-CG2 4.28Å; V244-V248 HydrophobicContact CG1-CG2 4.03Å; V244-V248 WeakPolarHBondContact O-CB 3.42Å; V244-V248 VanDerWaalsContact O-CG2 3.27Å; V244-V248 WeakPolarHBondContact O-CG2 3.37Å; V244-V248 PolarHBondContact O-N 3.19Å; V248-A250 VanDerWaalsContact C-N 3.3Å; V248-A250 PolarHBondContact O-N 3.32Å; V248-Y251 WeakPolarHBondContact O-CB 3.32Å; V248-Y251 PolarHBondContact O-N 3.17Å; V248-Y252 HydrophobicContact CG1-CD2 3.67Å; V248-Y252 HydrophobicContact CG1-CE2 3.58Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.4Å; V248-Y252 PolarHBondContact O-N 3.05Å
249S75.8Confident70.2Confident29 Ų2935.4 Ų35.420%0.20320%0.195CC..Hα-helixtrans-69.1-25.3178.8-58.60000113.2D245 Y252 D253D245-S249 WeakPolarHBondContact O-CB 3.31Å; D245-S249 PolarHBondContact O-N 2.9Å; D245-S249 PolarHBondContact O-OG 3.33Å; S249-Y252 PolarHBondContact O-N 3.39Å; S249-D253 WeakPolarHBondContact O-CB 3.24Å; S249-D253 PolarHBondContact O-N 3.25Å
250A72.3Confident69.3Low20 Ų2041 Ų4117%0.16522%0.217CC..Hα-helixtrans-72.1-33.5171.600000112.9L190 V246 L247 V248L190-A250 HydrophobicContact CD1-CB 3.51Å; L190-A250 HydrophobicContact CD2-CB 3.98Å; L190-A250 HydrophobicContact CG-CB 4.34Å; V246-A250 WeakPolarHBondContact O-CB 3.38Å; V246-A250 PolarHBondContact O-N 3.34Å; L247-A250 PolarHBondContact O-N 2.95Å; V248-A250 VanDerWaalsContact C-N 3.3Å; V248-A250 PolarHBondContact O-N 3.32Å
251Y68.1Low68.2Low44 Ų4436.2 Ų36.217%0.17320%0.199CC..Hα-helixtrans-64.7-46.3168.4-170.4-73.7000110.3L247 V248 L505L247-Y251 PolarHBondContact O-N 3.31Å; L247-Y251 VanDerWaalsContact O-N 3.1Å; V248-Y251 WeakPolarHBondContact O-CB 3.32Å; V248-Y251 PolarHBondContact O-N 3.17Å; Y251-L505 HydrophobicContact CD1-CD1 4.13Å; Y251-L505 HydrophobicContact CD1-CD2 3.89Å; Y251-L505 HydrophobicContact CD1-CG 4.38Å; Y251-L505 HydrophobicContact CE1-CD1 3.66Å; Y251-L505 HydrophobicContact CE1-CD2 3.45Å; Y251-L505 VanDerWaalsContact CE1-CD2 3.45Å; Y251-L505 HydrophobicContact CE1-CG 3.64Å; Y251-L505 HydrophobicContact CE2-CD2 4.27Å; Y251-L505 HydrophobicContact CG-CD2 4.49Å
252Y62.1Low66.5Low80 Ų8034.4 Ų34.431%0.31419%0.187SC..Hα-helixtrans-73-26.1-179.1-75.4-67.8000114.7V248 S249 L254 T255 D256 L505V248-Y252 HydrophobicContact CG1-CD2 3.67Å; V248-Y252 HydrophobicContact CG1-CE2 3.58Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.4Å; V248-Y252 PolarHBondContact O-N 3.05Å; S249-Y252 PolarHBondContact O-N 3.39Å; Y252-L254 PolarHBondContact O-N 3.47Å; Y252-T255 PolarHBondContact O-N 2.94Å; Y252-T255 PolarHBondContact O-OG1 3.18Å; Y252-T255 VanDerWaalsContact O-OG1 3.07Å; Y252-D256 WeakPolarHBondContact O-CB 3.46Å; Y252-D256 PolarHBondContact O-N 2.71Å; Y252-L505 HydrophobicContact CD1-CD1 4.4Å; Y252-L505 HydrophobicContact CE1-CD1 3.51Å
253D63.2Low64.7Low37 Ų3733.7 Ų33.720%0.19818%0.179CC..Hα-helixtrans-52.1-32.2177.1-99.9-16.5000112R54 S249 S257R54-D253 IonicContact CZ-OD2 2.72Å; R54-D253 IonicContact NE-OD2 2.72Å; R54-D253 PolarHBondContact NE-OD2 2.96Å; R54-D253 IonicContact NH2-OD2 2.75Å; S249-D253 WeakPolarHBondContact O-CB 3.24Å; S249-D253 PolarHBondContact O-N 3.25Å; D253-S257 WeakPolarHBondContact O-CB 3.34Å; D253-S257 PolarHBondContact O-N 2.68Å; D253-S257 PolarHBondContact O-OG 3.26Å
254L52.3Low62.8Low39 Ų3939.7 Ų39.720%0.20420%0.201CC..Hα-helixtrans-71.8-42.8176.5-170.368.8000112.6Y252 C372 I373 Y376Y252-L254 PolarHBondContact O-N 3.47Å; L254-C372 HydrophobicContact CD2-CB 3.61Å; L254-C372 HydrophobicContact CG-CB 4.17Å; L254-I373 HydrophobicContact CD1-CG1 3.79Å; L254-I373 HydrophobicContact CD2-CG1 4.13Å; L254-Y376 HydrophobicContact CD1-CD2 3.81Å; L254-Y376 HydrophobicContact CD1-CG 4.34Å
255T50.7Low61Low16 Ų1643.4 Ų43.410%0.09822%0.218CC..Hα-helixtrans-83.1-37-179.852.60000113Y252 S257 L258 A259 L498 A501Y252-T255 PolarHBondContact O-N 2.94Å; Y252-T255 PolarHBondContact O-OG1 3.18Å; Y252-T255 VanDerWaalsContact O-OG1 3.07Å; T255-S257 VanDerWaalsContact C-N 3.35Å; T255-S257 PolarHBondContact O-N 3.25Å; T255-L258 PolarHBondContact O-N 3.18Å; T255-A259 WeakPolarHBondContact O-CB 3.36Å; T255-A259 PolarHBondContact O-N 3.1Å; T255-L498 HydrophobicContact CG2-CD2 4.15Å; T255-A501 HydrophobicContact CG2-CB 4.05Å
256D52.3Low59.1Low60 Ų6041.8 Ų41.832%0.32121%0.21SC..Hα-helixtrans-66.9-36.3-178.8-89.322.1000111.7R52 Y252 L258 Y260R52-D256 IonicContact CZ-OD2 3.67Å; R52-D256 IonicContact NH1-OD2 2.82Å; R52-D256 PolarHBondContact NH1-OD2 3.14Å; R52-D256 IonicContact NH2-OD2 3.64Å; R52-D256 PolarHBondContact NH2-OD2 3.13Å; Y252-D256 WeakPolarHBondContact O-CB 3.46Å; Y252-D256 PolarHBondContact O-N 2.71Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-Y260 VanDerWaalsContact O-CB 3.25Å; D256-Y260 WeakPolarHBondContact O-CB 3.47Å; D256-Y260 PolarHBondContact O-N 2.93Å
257S53Low56.7Low38 Ų3846.8 Ų46.827%0.26624%0.242SC..Hα-helixtrans-68.3-35.1174.2-56.80000111.8D253 T255 Y260 F261 Y376D253-S257 WeakPolarHBondContact O-CB 3.34Å; D253-S257 PolarHBondContact O-N 2.68Å; D253-S257 PolarHBondContact O-OG 3.26Å; T255-S257 VanDerWaalsContact C-N 3.35Å; T255-S257 PolarHBondContact O-N 3.25Å; S257-Y260 WeakPolarHBondContact O-CB 3.39Å; S257-Y260 PolarHBondContact O-N 2.95Å; S257-F261 PolarHBondContact O-N 3.19Å; S257-Y376 VanDerWaalsContact OG-CE2 3.32Å; S257-Y376 WeakPolarHBondContact OG-CE2 3.46Å; S257-Y376 PolarHBondContact OG-OH 3Å
258L54.4Low54.8Low4 Ų453.1 Ų53.12%0.02128%0.276CS..Hα-helixtrans-75.2-37.4177.6-174.859000111.6T255 D256 F261 L262 V375 A379 T494 V497 L498T255-L258 PolarHBondContact O-N 3.18Å; D256-L258 VanDerWaalsContact C-N 3.33Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 3.49Å; L258-L262 PolarHBondContact O-N 3.37Å; L258-V375 HydrophobicContact CD1-CG1 3.78Å; L258-V375 HydrophobicContact CD2-CG1 3.86Å; L258-V375 HydrophobicContact CG-CG1 4.48Å; L258-A379 HydrophobicContact CD1-CB 3.97Å; L258-T494 HydrophobicContact CD1-CG2 3.51Å; L258-T494 HydrophobicContact CD2-CG2 4.01Å; L258-T494 HydrophobicContact CG-CG2 3.57Å; L258-V497 HydrophobicContact CD2-CG1 4.39Å; L258-L498 HydrophobicContact CB-CD2 4.42Å; L258-L498 HydrophobicContact CD2-CD2 4.18Å; L258-L498 HydrophobicContact CD2-CG 4.25Å; L258-L498 HydrophobicContact CG-CD1 4.42Å; L258-L498 HydrophobicContact CG-CD2 4.39Å; L258-L498 HydrophobicContact CG-CG 4.44Å
259A49.4Very low53.1Low33 Ų3353.9 Ų53.927%0.27328%0.279SS..Hα-helixtrans-64.6-38.6167.800000111.4T255 F261 L262 T263 L498T255-A259 WeakPolarHBondContact O-CB 3.36Å; T255-A259 PolarHBondContact O-N 3.1Å; A259-F261 VanDerWaalsContact C-N 3.35Å; A259-F261 PolarHBondContact O-N 3.39Å; A259-L262 WeakPolarHBondContact O-CB 3.36Å; A259-L262 PolarHBondContact O-N 3.48Å; A259-T263 WeakPolarHBondContact O-CG2 3.5Å; A259-T263 PolarHBondContact O-N 2.9Å; A259-L498 HydrophobicContact CB-CD1 4.4Å
260Y52.3Low51.3Low120 Ų12059.6 Ų59.647%0.47130%0.3SS..Hα-helixtrans-61.1-42.1174.5-179.3-93.4000111.7D256 S257 L262 T263 R264D256-Y260 VanDerWaalsContact O-CB 3.25Å; D256-Y260 WeakPolarHBondContact O-CB 3.47Å; D256-Y260 PolarHBondContact O-N 2.93Å; S257-Y260 WeakPolarHBondContact O-CB 3.39Å; S257-Y260 PolarHBondContact O-N 2.95Å; Y260-L262 PolarHBondContact O-N 2.94Å; Y260-T263 WeakPolarHBondContact CA-OG1 3.43Å; Y260-T263 PolarHBondContact O-N 2.77Å; Y260-T263 PolarHBondContact O-OG1 3.09Å; Y260-R264 PolarHBondContact O-N 3.29Å; Y260-R264 VanDerWaalsContact O-N 3.17Å; Y260-R264 PolarHBondContact OH-NH1 2.89Å
261F53.7Low49.7Very low15 Ų1561.8 Ų61.87%0.06632%0.318CS..Hα-helixtrans-55.8-49.7171.9172.6-108.8000111.8S257 L258 A259 T263 R264 H265 A379 R382 L383 F490S257-F261 PolarHBondContact O-N 3.19Å; L258-F261 WeakPolarHBondContact O-CB 3.42Å; L258-F261 PolarHBondContact O-N 3.49Å; A259-F261 VanDerWaalsContact C-N 3.35Å; A259-F261 PolarHBondContact O-N 3.39Å; F261-T263 PolarHBondContact O-N 3.09Å; F261-R264 PolarHBondContact O-N 2.96Å; F261-H265 PolarHBondContact O-N 3.11Å; F261-A379 HydrophobicContact CB-CB 4.12Å; F261-A379 HydrophobicContact CD1-CB 3.81Å; F261-A379 HydrophobicContact CD2-CB 4.14Å; F261-A379 HydrophobicContact CE1-CB 4.26Å; F261-A379 HydrophobicContact CG-CB 3.74Å; F261-R382 HydrophobicContact CE2-CB 4.05Å; F261-R382 HydrophobicContact CZ-CB 4.3Å; F261-L383 HydrophobicContact CB-CD1 4.43Å; F261-L383 HydrophobicContact CD2-CD1 4.19Å; F261-L383 HydrophobicContact CD2-CD2 3.88Å; F261-L383 HydrophobicContact CD2-CG 3.72Å; F261-L383 HydrophobicContact CE2-CG 4.35Å; F261-F490 HydrophobicContact CD1-CE1 4.3Å; F261-F490 AromaticContact CE1-CD1 3.91Å; F261-F490 HydrophobicContact CE1-CD1 3.91Å; F261-F490 AromaticContact CE1-CE1 3.59Å; F261-F490 HydrophobicContact CE1-CE1 3.59Å; F261-F490 HydrophobicContact CZ-CD1 4.33Å; F261-F490 HydrophobicContact CZ-CE1 4.09Å
262L46.1Very low48.2Very low2 Ų262.3 Ų62.31%0.0133%0.331CS..Hα-helixtrans-57.9-46.4174.5-68-170.9000112L258 A259 Y260 R264 H265 V266 H269 H491 T494 L495 L498L258-L262 PolarHBondContact O-N 3.37Å; A259-L262 WeakPolarHBondContact O-CB 3.36Å; A259-L262 PolarHBondContact O-N 3.48Å; Y260-L262 PolarHBondContact O-N 2.94Å; L262-R264 PolarHBondContact O-N 3.43Å; L262-H265 PolarHBondContact O-N 3.05Å; L262-V266 HydrophobicContact CD2-CG2 4.15Å; L262-V266 PolarHBondContact O-N 3.02Å; L262-H269 HydrophobicContact CB-CB 4.24Å; L262-H491 WeakPolarHBondContact CD2-ND1 3.12Å; L262-T494 HydrophobicContact CD1-CG2 3.95Å; L262-T494 HydrophobicContact CD2-CG2 3.68Å; L262-T494 HydrophobicContact CG-CG2 3.76Å; L262-L495 HydrophobicContact CD1-CD2 3.7Å; L262-L495 HydrophobicContact CD1-CG 4.33Å; L262-L498 HydrophobicContact CD1-CD1 3.65Å; L262-L498 HydrophobicContact CG-CD1 4.46Å
263T49.4Very low47Very low67 Ų6762.2 Ų62.241%0.41134%0.339SS..Hα-helixtrans-64.3-26.7-173.366.40000113.9A259 Y260 F261 H269A259-T263 WeakPolarHBondContact O-CG2 3.5Å; A259-T263 PolarHBondContact O-N 2.9Å; Y260-T263 WeakPolarHBondContact CA-OG1 3.43Å; Y260-T263 PolarHBondContact O-N 2.77Å; Y260-T263 PolarHBondContact O-OG1 3.09Å; F261-T263 PolarHBondContact O-N 3.09Å; T263-H269 VanDerWaalsContact CA-CE1 3.46Å; T263-H269 WeakPolarHBondContact CA-CE1 3.26Å; T263-H269 VanDerWaalsContact CG2-CD2 3.49Å; T263-H269 WeakPolarHBondContact CG2-CD2 3.41Å; T263-H269 WeakPolarHBondContact CG2-NE2 3.44Å; T263-H269 PolarHBondContact O-CE1 2.87Å
264R49Very low45.8Very low141 Ų14168 Ų6853%0.53236%0.363SS..Hα-helixtrans-94.2-26.5-176.6-173.1175.6-179.8131.25.1113.7Y260 F261 L262Y260-R264 PolarHBondContact O-N 3.29Å; Y260-R264 VanDerWaalsContact O-N 3.17Å; Y260-R264 PolarHBondContact OH-NH1 2.89Å; F261-R264 PolarHBondContact O-N 2.96Å; L262-R264 PolarHBondContact O-N 3.43Å
265H47.6Very low44.8Very low81 Ų8169.2 Ų69.238%0.37538%0.384SS..Hα-helixtrans-119.1-3.5-172.2-70.6-85.2000115.2F261 L262 L383F261-H265 PolarHBondContact O-N 3.11Å; L262-H265 PolarHBondContact O-N 3.05Å; H265-L383 WeakPolarHBondContact NE2-CD2 3.49Å
266V41.2Very low43.8Very low31 Ų3171.4 Ų71.419%0.18841%0.41CS..SBendtrans-131.9121.8179.4-162.60000111.2L262 H269L262-V266 HydrophobicContact CD2-CG2 4.15Å; L262-V266 PolarHBondContact O-N 3.02Å; V266-H269 PolarHBondContact O-ND1 3.23Å
267P37.7Very low42.5Very low109 Ų10974.8 Ų74.871%0.70843%0.433SS*.THydrogen-bonded Turntrans-56.2151.8167.7-24.335.1000112.1H269P267-H269 PolarHBondContact O-N 3.22Å
268D44.5Very low41.4Very low133 Ų13381.7 Ų81.771%0.71146%0.461SS*.THydrogen-bonded Turntrans53.616.6172-56.6-29.9000117.9K270 A271 A272D268-K270 PolarHBondContact O-N 3.47Å; D268-A271 HydrophobicContact CB-CB 4.49Å; D268-A271 WeakPolarHBondContact O-CB 3.2Å; D268-A271 PolarHBondContact O-N 3.47Å; D268-A272 PolarHBondContact O-N 3.05Å
269H41.2Very low40.3Very low33 Ų3390.9 Ų90.915%0.15350%0.501CS..Hα-helixtrans-47.4-32.117157.9-88.5000113.6L262 T263 V266 P267 A272 V273L262-H269 HydrophobicContact CB-CB 4.24Å; T263-H269 VanDerWaalsContact CA-CE1 3.46Å; T263-H269 WeakPolarHBondContact CA-CE1 3.26Å; T263-H269 VanDerWaalsContact CG2-CD2 3.49Å; T263-H269 WeakPolarHBondContact CG2-CD2 3.41Å; T263-H269 WeakPolarHBondContact CG2-NE2 3.44Å; T263-H269 PolarHBondContact O-CE1 2.87Å; V266-H269 PolarHBondContact O-ND1 3.23Å; P267-H269 PolarHBondContact O-N 3.22Å; H269-A272 PolarHBondContact O-N 2.89Å; H269-V273 WeakPolarHBondContact O-CG2 3.35Å; H269-V273 PolarHBondContact O-N 3.02Å; H269-V273 VanDerWaalsContact O-N 3.09Å
270K36.1Very low39.1Very low149 Ų14996 Ų9665%0.64852%0.523SS*.Hα-helixtrans-64.9-36.8174.7-72.5-172.9178.9-179.10113.2D268 V273 F274D268-K270 PolarHBondContact O-N 3.47Å; K270-V273 PolarHBondContact O-N 2.94Å; K270-F274 WeakPolarHBondContact O-CB 3.3Å; K270-F274 PolarHBondContact O-N 2.86Å
271A39Very low38Very low65 Ų6598.2 Ų98.254%0.53754%0.542SS..Hα-helixtrans-67.8-39.1178.700000111.2D268 G275D268-A271 HydrophobicContact CB-CB 4.49Å; D268-A271 WeakPolarHBondContact O-CB 3.2Å; D268-A271 PolarHBondContact O-N 3.47Å; A271-G275 PolarHBondContact O-N 2.9Å
272A36.7Very low36.6Very low55 Ų55103.5 Ų103.546%0.45557%0.571SS.*Hα-helixtrans-66.7-38.6174.900000113D268 H269 L495D268-A272 PolarHBondContact O-N 3.05Å; H269-A272 PolarHBondContact O-N 2.89Å; A272-L495 HydrophobicContact CB-CD1 3.94Å; A272-L495 HydrophobicContact CB-CD2 3.91Å
273V37.3Very low35.9Very low79 Ų79111.8 Ų111.848%0.47961%0.609SS.*Hα-helixtrans-78.7-34.4-178.31720000113.2H269 K270 L495H269-V273 WeakPolarHBondContact O-CG2 3.35Å; H269-V273 PolarHBondContact O-N 3.02Å; H269-V273 VanDerWaalsContact O-N 3.09Å; K270-V273 PolarHBondContact O-N 2.94Å; V273-L495 HydrophobicContact CG2-CD2 4.27Å
274F37.4Very low34.7Very low159 Ų159112.8 Ų112.870%0.69762%0.618SS**Hα-helixtrans-109.15.3-170.4-72.5-75.6000116.2K270 G276K270-F274 WeakPolarHBondContact O-CB 3.3Å; K270-F274 PolarHBondContact O-N 2.86Å; F274-G276 PolarHBondContact O-N 3.39Å
275G31.6Very low33.5Very low63 Ų63113 Ų11365%0.64963%0.63SS**THydrogen-bonded Turntrans58.541.3163.900000115.6A271 T277A271-G275 PolarHBondContact O-N 2.9Å; G275-T277 PolarHBondContact O-N 3.36Å
276G29.5Very low32.4Very low62 Ų62117 Ų11764%0.63965%0.649SS**  trans35.264.6166.300000118.6F274 H278F274-G276 PolarHBondContact O-N 3.39Å; G276-H278 PolarHBondContact O-N 3.1Å
277T25.4Very low31.6Very low132 Ų132123.2 Ų123.281%0.8168%0.681SS**  trans-74.858.8178.660.80000114.4G275 K279G275-T277 PolarHBondContact O-N 3.36Å; T277-K279 PolarHBondContact O-N 3.41Å
278H30Very low31Very low182 Ų182123.4 Ų123.484%0.84368%0.684SS**  trans-78.398.2169.5-93.4-87.2000110.9G276 N280G276-H278 PolarHBondContact O-N 3.1Å; H278-N280 PolarHBondContact O-N 2.86Å
279K31Very low30.1Very low197 Ų197122.4 Ų122.486%0.85768%0.683SS**  trans-68.7125.8166.1-74.4-176.6176.6177.90109.5T277 I281T277-K279 PolarHBondContact O-N 3.41Å; K279-I281 PolarHBondContact O-N 2.87Å
280N24.8Very low29.4Very low141 Ų141128.4 Ų128.475%0.75472%0.716SS**  trans-61.7129.1174.2-82.9-40.3000111.6H278H278-N280 PolarHBondContact O-N 2.86Å
281I29.5Very low28.9Very low166 Ų166127 Ų12785%0.85172%0.716SS**  trans-122.5102.6149.4-61.9-179.3000105.8K279K279-I281 PolarHBondContact O-N 2.87Å
282N24.5Very low28.4Very low126 Ų126130 Ų13067%0.67472%0.723SS**  trans-78.4130.4176.4-75.2-32000109.9
283H29.7Very low27.8Very low177 Ų177133.8 Ų133.882%0.81974%0.735SS**  trans-158100.2142.6-110.6-69.1000113.2
284S25.6Very low27.4Very low87 Ų87138.2 Ų138.261%0.60876%0.756SS**  trans50.6114.2144.153.80000122.1
285N23.6Very low26.8Very low146 Ų146135.5 Ų135.578%0.78176%0.757SS**  trans69.4151.5142.2-55.18.2000117.5
286E25Very low26.5Very low165 Ų165142 Ų14277%0.77177%0.77SS**  cis-146.6173.215.7-151.4157.1-125.100113.8
287L23.2Very low26.2Very low162 Ų162145.1 Ų145.185%0.84877%0.771SS**  trans-47.2168178-68.3134.2000116.4
288S25.7Very low26.4Very low112 Ų112147 Ų14778%0.78378%0.775SS**  cis-156.4173.124.262.20000114.8
289V25.1Very low26Very low112 Ų112143.4 Ų143.468%0.67977%0.765SS**  trans-91.6148178.2166.30000112
290N27Very low25.7Very low159 Ų159141.7 Ų141.785%0.8577%0.766SS**  trans-153.1147138.3-128-26.9000114.9
291N25.3Very low25.7Very low120 Ų120139 Ų13964%0.64277%0.771SS**  trans-106.1155.2-173.5-61.6-29.9000111.8
292N27.4Very low25.5Very low129 Ų129140 Ų14069%0.6977%0.772SS**  169.3124.2105-86.7-47.6000114.2
293N25.2Very low25.5Very low133 Ų133140 Ų14071%0.71177%0.766SS**  trans47.1112.9132.3-47.7-18.4000120.1
294N29.2Very low25.4Very low172 Ų172135.7 Ų135.792%0.9275%0.748SS**  -149.2145.8101.8-101.4-27.2000110.8
295S23.9Very low25.3Very low103 Ų103139.8 Ų139.872%0.7276%0.761SS**  trans-103.6138.9-173.6560000112.2
296E26.2Very low25.4Very low198 Ų198137.5 Ų137.593%0.92576%0.757SS**  trans-122.1144.2151.5-157.9163.5-12600109.1
297I23.8Very low25.4Very low129 Ų129136.5 Ų136.566%0.66276%0.763SS**  trans-104.7107.3-152-60.9173.4000110.8T299I297-T299 HydrophobicContact CG2-CG2 3.65Å
298I28.2Very low25.5Very low171 Ų171133.3 Ų133.388%0.87775%0.754SS**  trans-100.274.4165.9-52.5-177.1000109.2N300I298-N300 PolarHBondContact O-N 3.2Å
299T22.7Very low25.3Very low106 Ų106135.4 Ų135.465%0.6576%0.755SS**  trans-81.2105.9163.344.30000109.5I297I297-T299 HydrophobicContact CG2-CG2 3.65Å
300N24.6Very low25.3Very low162 Ų162138.4 Ų138.487%0.86677%0.766SS**SBendtrans175.5128.4141.9-88.1-27.7000110.7I298I298-N300 PolarHBondContact O-N 3.2Å
301G24.4Very low25.2Very low83 Ų83137.9 Ų137.986%0.85676%0.758SS**  trans90.240.9164.900000117.7
302H24.8Very low25.1Very low188 Ų188141.4 Ų141.487%0.8777%0.77SS**  trans-87.7106.6179.4-150.2-85.5000111.5
303F24.6Very low25Very low126 Ų126139.2 Ų139.255%0.55377%0.765SS**  trans-152.2139.9173.1-103.5-73.5000113.8Q349F303-Q349 HydrophobicContact CE1-CB 4.31Å; F303-Q349 HydrophobicContact CE1-CG 3.74Å; F303-Q349 VanDerWaalsContact CE2-CD 3.49Å; F303-Q349 HydrophobicContact CE2-CG 4.31Å; F303-Q349 VanDerWaalsContact CE2-NE2 3.26Å; F303-Q349 HydrophobicContact CZ-CB 4.18Å; F303-Q349 HydrophobicContact CZ-CG 3.59Å
304L27.5Very low25Very low86 Ų86140.6 Ų140.645%0.4577%0.772SS.*  trans68.469164.2-50-177.2000119.7I353L304-I353 HydrophobicContact CD1-CD1 3.51Å; L304-I353 HydrophobicContact CD1-CG1 4.3Å; L304-I353 HydrophobicContact CD2-CD1 3.37Å; L304-I353 HydrophobicContact CG-CD1 4.04Å
305I24.5Very low24.8Very low173 Ų173135.5 Ų135.589%0.88776%0.761SS**  trans-129.4111.7137.7-58.9-179.2000108.6
306S25.7Very low24.9Very low98 Ų98137.2 Ų137.269%0.68577%0.767SS**  trans-163.1110.2153.2-165.80000110.7S308S306-S308 PolarHBondContact OG-OG 2.86Å
307T24.4Very low24.8Very low145 Ų145132.7 Ų132.789%0.8976%0.757SS**  trans-95.294.7169.847.60000109.1
308S24.6Very low24.8Very low94 Ų94131.9 Ų131.966%0.65775%0.754SS**  trans-113.1104.6-179.3-67.60000111.7S306S306-S308 PolarHBondContact OG-OG 2.86Å
309L23.3Very low24.7Very low156 Ų156127.5 Ų127.582%0.81774%0.743SS**  trans10.7118.8164.6-62.2109000119.4
310I24.2Very low25.3Very low176 Ų176128.3 Ų128.390%0.90375%0.75SS**  trans-119.3107.8136.2-60.5179.4000107
311H24.4Very low25.3Very low148 Ų148130.8 Ų130.869%0.68575%0.753SS**  trans-13691.7176.3177.6-67.9000109.5
312E23.8Very low25.4Very low193 Ų193132 Ų13290%0.90275%0.749SS**  trans-13598.3167.7-75.3-154.6146.800112
313S24.9Very low25.5Very low83 Ų83129.3 Ų129.358%0.5875%0.746SS**  trans-158.9138150.977.20000106.7
314N25.9Very low25.4Very low162 Ų162130 Ų13087%0.86676%0.755SS**  cis-138.9157.94.3-69.2-81.1000109.9
315G24.7Very low25.1Very low66 Ų66131 Ų13168%0.6876%0.764SS**  trans159.593.7164.200000116.6
316T26.2Very low25Very low139 Ų139131.3 Ų131.385%0.85376%0.759SS**  trans34.5101.3149.653.50000119.6
317S22.9Very low24.8Very low102 Ų102133.1 Ų133.171%0.71376%0.761SS**  41.3116.6128-154.70000119.2
318L25.5Very low24.7Very low113 Ų113132.1 Ų132.159%0.59275%0.754SS**  -178.7174.7102.6-90172.1000114L569 P570L318-L569 HydrophobicContact CD2-CB 3.67Å; L318-L569 WeakPolarHBondContact CD2-O 3.49Å; L318-P570 VanDerWaalsContact CD1-CD 3.41Å; L318-P570 HydrophobicContact CD1-CG 4.27Å; L318-P570 VanDerWaalsContact CD2-CD 3.44Å
319A25Very low24.9Very low78 Ų78135.4 Ų135.465%0.64577%0.765SS**  trans-83.9160.4-165.500000115.4
320P34.6Very low25.1Very low124 Ų124133.4 Ų133.481%0.80576%0.764SS**  trans-99.7157.9-162.138.1-36.3000115.9
321K25Very low25.5Very low214 Ų214131.9 Ų131.993%0.9376%0.763SS**  trans-142.8148.7152.8-77.9-167.5176.9176.50110.8
322S26.7Very low25.6Very low109 Ų109128 Ų12876%0.76276%0.763SS**  trans-101.4134.4177-176.60000111.7
323T28.2Very low25.8Very low131 Ų131128.3 Ų128.380%0.80476%0.764SS**  trans-152.1105.7153.349.10000106.5
324D21.4Very low25.7Very low140 Ų140130.1 Ų130.175%0.74977%0.772SS**  76.2120.280.5-96.1-22.2000116.4
325V22.3Very low25.7Very low107 Ų107130.2 Ų130.265%0.64877%0.771SS**  89124.7130168.40000121.4
326K21.4Very low25.6Very low180 Ų180132.8 Ų132.878%0.78377%0.774SS**  trans76.1158.8154-82.9168.2-167.3169.60119.2
327L22.1Very low25.6Very low136 Ų136132.5 Ų132.571%0.71277%0.772SS**  cis-146.3118.25.6-106.9134.9000109.1
328T22.6Very low25.5Very low123 Ų123133.9 Ų133.976%0.75578%0.776SS**  86.3152.8104.556.90000121.3
329N28.7Very low25.6Very low164 Ų164133.4 Ų133.488%0.87779%0.788SS**  trans-87.9159.5-173.7-58.4-14.6000115.7
330S27.5Very low25.5Very low114 Ų114136.1 Ų136.180%0.79780%0.797SS**  trans-157.4127.8143.959.20000108
331T32.6Very low25.1Very low143 Ų143135.2 Ų135.288%0.87779%0.794SS**  cis-136172.712.453.50000109.9
332G25.6Very low25.2Very low67 Ų67132.5 Ų132.569%0.69179%0.79SS**  cis152.745.6-8.400000116.7
333Q28.9Very low25.2Very low199 Ų199134.1 Ų134.193%0.9379%0.794SS**  trans-166.4160.5154.3-114.4169.82500113.3
334T21.3Very low25.2Very low121 Ų121136.8 Ų136.874%0.74280%0.798SS**  trans-133.1132.9-172.9-51.30000110.7T336T334-T336 HydrophobicContact CG2-CG2 4.31Å
335I26.7Very low25.6Very low164 Ų164138.3 Ų138.384%0.84180%0.8SS**  trans-135.6130.8158.8-60.4-177.4000108.2
336T22Very low26.1Very low121 Ų121136.2 Ų136.274%0.74280%0.795SS**  trans-109.1130.9-177.641.60000111.7T334T334-T336 HydrophobicContact CG2-CG2 4.31Å
337T26.3Very low26.9Very low132 Ų132134.9 Ų134.981%0.8180%0.796SS**  trans-150.195.7159.42.60000112.2
338T22.5Very low27.9Very low131 Ų131134.4 Ų134.480%0.80479%0.794SS**  trans-0.6116.2155.2530000119.4
339A26.1Very low28.9Very low103 Ų103132.8 Ų132.885%0.85178%0.778SS**  trans-151.899.314400000108.8
340T23.7Very low29.9Very low136 Ų136131.6 Ų131.683%0.83477%0.767SS**  trans-121.8113.9-171.449.60000112.3
341S26.6Very low31.2Very low105 Ų105130.4 Ų130.473%0.73475%0.752SS**  trans-157.5120.4160.458.10000111.5
342N25.6Very low32.4Very low157 Ų157130.3 Ų130.384%0.8474%0.736SS**  trans66.189.8155.3-53.512.7000117.8
343V28.3Very low34.1Very low142 Ų142128.3 Ų128.386%0.86171%0.709SS**  trans-128.786.3149.9-178.90000107.9
344E26.8Very low36.1Very low188 Ų188124.3 Ų124.388%0.87969%0.692SS**  trans-142.262.6171.6-75.5-169.4146.200108.8
345Q29.3Very low38.4Very low171 Ų171124 Ų12480%0.79968%0.681SS**  trans-171.393.1168.2-111.3163.216.800109.3
346A33.2Very low40.4Very low64 Ų64118.3 Ų118.353%0.52966%0.658SS.*SBendtrans-147.2-49.2175.900000111.7D348 Q349A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 PolarHBondContact O-N 2.94Å; A346-Q349 PolarHBondContact O-N 3.44Å; A346-Q349 VanDerWaalsContact O-N 3.17Å
347D38.6Very low43.1Very low152 Ų152118 Ų11881%0.81364%0.644SS**THydrogen-bonded Turntrans-64.8-31.5-171.7-58.2-20000114Q349D347-Q349 PolarHBondContact O-N 2.79Å
348D43Very low45.4Very low125 Ų125113.2 Ų113.267%0.66862%0.62SS**Hα-helixtrans-58.9-21176.9-70.5-48.9000113.5A346A346-D348 VanDerWaalsContact C-N 3.34Å; A346-D348 PolarHBondContact O-N 2.94Å
349Q43.3Very low48.1Very low89 Ų89115.3 Ų115.342%0.41661%0.613SS.*Hα-helixtrans-94.6-6.9-164.2-152.6155.50.500115.1F303 A346 D347 W352F303-Q349 HydrophobicContact CE1-CB 4.31Å; F303-Q349 HydrophobicContact CE1-CG 3.74Å; F303-Q349 VanDerWaalsContact CE2-CD 3.49Å; F303-Q349 HydrophobicContact CE2-CG 4.31Å; F303-Q349 VanDerWaalsContact CE2-NE2 3.26Å; F303-Q349 HydrophobicContact CZ-CB 4.18Å; F303-Q349 HydrophobicContact CZ-CG 3.59Å; A346-Q349 PolarHBondContact O-N 3.44Å; A346-Q349 VanDerWaalsContact O-N 3.17Å; D347-Q349 PolarHBondContact O-N 2.79Å; Q349-W352 VanDerWaalsContact O-CD1 3.26Å; Q349-W352 PolarHBondContact O-NE1 2.89Å
350E50.1Low50.6Low140 Ų140111.1 Ų111.165%0.65458%0.577SS**Hα-helixtrans-95.1-33.8161.4-75.9-166.9137.700112.5W352 I353 I354E350-W352 VanDerWaalsContact C-N 3.3Å; E350-W352 PolarHBondContact O-N 3.36Å; E350-I353 WeakPolarHBondContact O-CB 3.25Å; E350-I353 PolarHBondContact O-N 3.32Å; E350-I354 PolarHBondContact O-N 2.86Å
351D54.6Low53.2Low89 Ų89108.3 Ų108.348%0.47656%0.556SS.*Hα-helixtrans-60.5-36.6-172.7-164.863000112.6I353 I354 K355D351-I353 VanDerWaalsContact C-N 3.29Å; D351-I353 PolarHBondContact O-N 2.93Å; D351-I354 PolarHBondContact O-N 3.47Å; D351-K355 WeakPolarHBondContact O-CB 3.39Å; D351-K355 PolarHBondContact O-N 3.06Å; D351-K355 IonicContact OD2-NZ 2.8Å
352W58.6Low55.7Low141 Ų141109.1 Ų109.153%0.53455%0.552SS.*Hα-helixtrans-66.6-26.7176.276.1-87.6000113.8Q349 E350 A356Q349-W352 VanDerWaalsContact O-CD1 3.26Å; Q349-W352 PolarHBondContact O-NE1 2.89Å; E350-W352 VanDerWaalsContact C-N 3.3Å; E350-W352 PolarHBondContact O-N 3.36Å; W352-A356 VanDerWaalsContact O-CB 3.28Å; W352-A356 WeakPolarHBondContact O-CB 3.08Å; W352-A356 PolarHBondContact O-N 2.77Å
353I61.2Low58Low25 Ų25104.2 Ų104.213%0.12853%0.526CS..Hα-helixtrans-77-47.1179.8-53.1168.5000109.2L304 E350 D351 K355 A356 R357L304-I353 HydrophobicContact CD1-CD1 3.51Å; L304-I353 HydrophobicContact CD1-CG1 4.3Å; L304-I353 HydrophobicContact CD2-CD1 3.37Å; L304-I353 HydrophobicContact CG-CD1 4.04Å; E350-I353 WeakPolarHBondContact O-CB 3.25Å; E350-I353 PolarHBondContact O-N 3.32Å; D351-I353 VanDerWaalsContact C-N 3.29Å; D351-I353 PolarHBondContact O-N 2.93Å; I353-K355 PolarHBondContact O-N 3.09Å; I353-A356 PolarHBondContact O-N 2.82Å; I353-A356 VanDerWaalsContact O-N 3.09Å; I353-R357 PolarHBondContact O-N 3.13Å
354I70.6Confident59.9Low114 Ų114101.4 Ų101.459%0.58551%0.511SS*.Hα-helixtrans-57.8-41.1173.4-61.3172000109.4E350 D351 G358E350-I354 PolarHBondContact O-N 2.86Å; D351-I354 PolarHBondContact O-N 3.47Å; I354-G358 WeakPolarHBondContact O-CA 3.46Å; I354-G358 PolarHBondContact O-N 3.45Å
355K69.2Low61.7Low115 Ų11596.5 Ų96.550%0.549%0.491SS..Hα-helixtrans-70.5-30.1175.5-167.6-179.6-137.6142.50113.7D351 I353 R359D351-K355 WeakPolarHBondContact O-CB 3.39Å; D351-K355 PolarHBondContact O-N 3.06Å; D351-K355 IonicContact OD2-NZ 2.8Å; I353-K355 PolarHBondContact O-N 3.09Å; K355-R359 WeakPolarHBondContact O-CD 3.46Å; K355-R359 VanDerWaalsContact O-CG 3.24Å; K355-R359 WeakPolarHBondContact O-CG 3.33Å; K355-R359 PolarHBondContact O-N 3.17Å; K355-R359 VanDerWaalsContact O-N 3.07Å
356A69.7Low63.1Low44 Ų4493.5 Ų93.536%0.36448%0.48SS..Hα-helixtrans-72.7-48.8174.800000111.3W352 I353 R359 L360W352-A356 VanDerWaalsContact O-CB 3.28Å; W352-A356 WeakPolarHBondContact O-CB 3.08Å; W352-A356 PolarHBondContact O-N 2.77Å; I353-A356 PolarHBondContact O-N 2.82Å; I353-A356 VanDerWaalsContact O-N 3.09Å; A356-R359 WeakPolarHBondContact O-CB 3.48Å; A356-R359 PolarHBondContact O-N 3.05Å; A356-R359 VanDerWaalsContact O-N 3.11Å; A356-L360 PolarHBondContact O-N 3.38Å
357R78.4Confident64.8Low116 Ų11692.2 Ų92.244%0.43847%0.47SS..Hα-helixtrans-60.5-46.8171.7-72.9172.8169.8177.2-10.2110.9I353 R359 L360 N361 D496I353-R357 PolarHBondContact O-N 3.13Å; R357-R359 PolarHBondContact O-N 3.1Å; R357-R359 VanDerWaalsContact O-N 3.11Å; R357-L360 WeakPolarHBondContact O-CB 3.44Å; R357-L360 PolarHBondContact O-N 3.14Å; R357-N361 PolarHBondContact O-N 2.89Å; R357-N361 PolarHBondContact O-OD1 3.26Å; R357-D496 WeakPolarHBondContact CG-OD2 3.44Å; R357-D496 IonicContact CZ-OD1 3.74Å; R357-D496 VanDerWaalsContact CZ-OD1 3.31Å; R357-D496 IonicContact CZ-OD2 3.07Å; R357-D496 VanDerWaalsContact NE-CG 3.29Å; R357-D496 IonicContact NE-OD1 3.74Å; R357-D496 PolarHBondContact NE-OD1 2.83Å; R357-D496 VanDerWaalsContact NE-OD1 3.11Å; R357-D496 IonicContact NE-OD2 3Å; R357-D496 PolarHBondContact NE-OD2 3Å; R357-D496 IonicContact NH2-OD1 3.25Å; R357-D496 PolarHBondContact NH2-OD1 2.79Å; R357-D496 IonicContact NH2-OD2 3.62Å
358G73.9Confident66.6Low31 Ų3185.2 Ų85.232%0.3243%0.432SS..Hα-helixtrans-55.7-29.8172.900000114.1I354 N362I354-G358 WeakPolarHBondContact O-CA 3.46Å; I354-G358 PolarHBondContact O-N 3.45Å; G358-N362 WeakPolarHBondContact O-CB 3.46Å; G358-N362 PolarHBondContact O-N 3.41Å; G358-N362 PolarHBondContact O-ND2 3.43Å
359R78.8Confident67.6Low175 Ų17581 Ų8166%0.6641%0.409SS*.Hα-helixtrans-75.5-45171.1-78165170.4176.4-3.8112.4K355 A356 R357 N361 N362 L363K355-R359 WeakPolarHBondContact O-CD 3.46Å; K355-R359 VanDerWaalsContact O-CG 3.24Å; K355-R359 WeakPolarHBondContact O-CG 3.33Å; K355-R359 PolarHBondContact O-N 3.17Å; K355-R359 VanDerWaalsContact O-N 3.07Å; A356-R359 WeakPolarHBondContact O-CB 3.48Å; A356-R359 PolarHBondContact O-N 3.05Å; A356-R359 VanDerWaalsContact O-N 3.11Å; R357-R359 PolarHBondContact O-N 3.1Å; R357-R359 VanDerWaalsContact O-N 3.11Å; R359-N361 PolarHBondContact O-N 3.33Å; R359-N362 CarbonylContact O-C 3.6Å; R359-N362 PolarHBondContact O-N 2.99Å; R359-L363 PolarHBondContact O-N 3.3Å
360L78.6Confident68.7Low15 Ų1579.8 Ų79.88%0.07941%0.405CS..Hα-helixtrans-55.4-51.1176.8-17863000110.9A356 R357 N362 L363 F368 L371 D496 V497 E500 R504A356-L360 PolarHBondContact O-N 3.38Å; R357-L360 WeakPolarHBondContact O-CB 3.44Å; R357-L360 PolarHBondContact O-N 3.14Å; L360-N362 PolarHBondContact O-N 2.67Å; L360-L363 HydrophobicContact CD1-CD1 4.08Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.93Å; L360-L363 VanDerWaalsContact O-N 3.08Å; L360-F368 HydrophobicContact CD1-CD2 3.99Å; L360-F368 HydrophobicContact CD1-CE2 3.9Å; L360-F368 HydrophobicContact CG-CE2 4.47Å; L360-L371 HydrophobicContact CD1-CD2 3.55Å; L360-D496 HydrophobicContact CD2-CB 3.75Å; L360-D496 WeakPolarHBondContact CD2-O 3.38Å; L360-V497 HydrophobicContact CD1-CG2 4.16Å; L360-V497 HydrophobicContact CD2-CG2 4.42Å; L360-E500 HydrophobicContact CD2-CB 4.13Å; L360-E500 HydrophobicContact CG-CB 4.19Å; L360-E500 HydrophobicContact CG-CG 4.2Å; L360-R504 PolarHBondContact O-NH2 3.33Å
361N78.4Confident70.1Confident76 Ų7674.9 Ų74.941%0.40638%0.384SS..Hα-helixtrans-64.6-24.7-179.1-6345.4000113.3R357 R359 E500 R504R357-N361 PolarHBondContact O-N 2.89Å; R357-N361 PolarHBondContact O-OD1 3.26Å; R359-N361 PolarHBondContact O-N 3.33Å; N361-E500 WeakPolarHBondContact CA-OE1 3.34Å; N361-E500 VanDerWaalsContact CG-OE2 3.24Å; N361-E500 PolarHBondContact ND2-OE2 2.74Å; N361-R504 PolarHBondContact O-NH2 2.7Å
362N78.9Confident71Confident122 Ų12271 Ų7165%0.65236%0.363SS*.THydrogen-bonded Turntrans-95.85.5176.6-75.8-79.4000113.9G358 R359 L360G358-N362 WeakPolarHBondContact O-CB 3.46Å; G358-N362 PolarHBondContact O-N 3.41Å; G358-N362 PolarHBondContact O-ND2 3.43Å; R359-N362 CarbonylContact O-C 3.6Å; R359-N362 PolarHBondContact O-N 2.99Å; L360-N362 PolarHBondContact O-N 2.67Å
363L75.4Confident71.4Confident54 Ų5466.2 Ų66.228%0.28335%0.347SS..SBendtrans-64.8140.3172.9-75.2177.4000111.1R359 L360 A367 F368 L371 R504R359-L363 PolarHBondContact O-N 3.3Å; L360-L363 HydrophobicContact CD1-CD1 4.08Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.93Å; L360-L363 VanDerWaalsContact O-N 3.08Å; L363-A367 HydrophobicContact CD2-CB 4.31Å; L363-F368 HydrophobicContact CB-CB 4.25Å; L363-L371 HydrophobicContact CD1-CD2 4.06Å; L363-R504 VanDerWaalsContact O-CZ 3.31Å; L363-R504 PolarHBondContact O-NH1 2.93Å; L363-R504 PolarHBondContact O-NH2 3.08Å
364P68.1Low72.1Confident84 Ų8465.3 Ų65.355%0.54534%0.343SS..  trans-67.3147.8167.129.6-33.6000110.1N366 A367 F368P364-N366 VanDerWaalsContact C-N 3.29Å; P364-N366 PolarHBondContact O-N 3.43Å; P364-N366 VanDerWaalsContact O-N 3.12Å; P364-A367 HydrophobicContact CG-CB 3.86Å; P364-A367 PolarHBondContact O-N 2.89Å; P364-F368 PolarHBondContact O-N 2.94Å
365N65.1Low72.5Confident85 Ų8559.9 Ų59.946%0.45532%0.315SS..Hα-helixtrans-51.2-42.9-171-75.23.5000113.9A367 F368 I369 R504N365-A367 VanDerWaalsContact C-N 3.34Å; N365-A367 PolarHBondContact O-N 3.2Å; N365-F368 WeakPolarHBondContact O-CB 3.23Å; N365-F368 PolarHBondContact O-N 3.27Å; N365-F368 VanDerWaalsContact O-N 3.14Å; N365-I369 VanDerWaalsContact O-CG1 3.32Å; N365-I369 WeakPolarHBondContact O-CG1 3.4Å; N365-I369 PolarHBondContact O-N 3.4Å; N365-R504 PolarHBondContact OD1-NH1 3.35Å
366N58.3Low72.8Confident107 Ų10756.4 Ų56.457%0.57230%0.299SS*.Hα-helixtrans-60-42.7178.6-54.353.3000111.9P364 F368 D370P364-N366 VanDerWaalsContact C-N 3.29Å; P364-N366 PolarHBondContact O-N 3.43Å; P364-N366 VanDerWaalsContact O-N 3.12Å; N366-F368 VanDerWaalsContact C-N 3.34Å; N366-D370 WeakPolarHBondContact O-CB 3.3Å; N366-D370 VanDerWaalsContact O-CG 3.25Å; N366-D370 PolarHBondContact O-N 2.93Å
367A69Low72.8Confident38 Ų3854.9 Ų54.931%0.31429%0.285SS..Hα-helixtrans-73.3-26.9177.400000112.7L363 P364 N365 L371L363-A367 HydrophobicContact CD2-CB 4.31Å; P364-A367 HydrophobicContact CG-CB 3.86Å; P364-A367 PolarHBondContact O-N 2.89Å; N365-A367 VanDerWaalsContact C-N 3.34Å; N365-A367 PolarHBondContact O-N 3.2Å; A367-L371 PolarHBondContact O-N 3.03Å; A367-L371 VanDerWaalsContact O-N 3.08Å
368F75.5Confident72.6Confident4 Ų449.4 Ų49.42%0.01826%0.264CS..Hα-helixtrans-72.1-46.1172.3-179.9-98.1000111.6L360 L363 P364 N365 N366 D370 L371 C372 V497 E500 A501L360-F368 HydrophobicContact CD1-CD2 3.99Å; L360-F368 HydrophobicContact CD1-CE2 3.9Å; L360-F368 HydrophobicContact CG-CE2 4.47Å; L363-F368 HydrophobicContact CB-CB 4.25Å; P364-F368 PolarHBondContact O-N 2.94Å; N365-F368 WeakPolarHBondContact O-CB 3.23Å; N365-F368 PolarHBondContact O-N 3.27Å; N365-F368 VanDerWaalsContact O-N 3.14Å; N366-F368 VanDerWaalsContact C-N 3.34Å; F368-D370 VanDerWaalsContact C-N 3.28Å; F368-D370 PolarHBondContact O-N 2.76Å; F368-L371 WeakPolarHBondContact O-CB 3.33Å; F368-L371 PolarHBondContact O-N 2.88Å; F368-L371 VanDerWaalsContact O-N 3.15Å; F368-C372 VanDerWaalsContact CE1-SG 3.59Å; F368-C372 PolarHBondContact O-N 2.87Å; F368-C372 PolarHBondContact O-SG 3.48Å; F368-V497 HydrophobicContact CZ-CG1 4.36Å; F368-V497 WeakPolarHBondContact CZ-O 3.44Å; F368-E500 HydrophobicContact CD2-CG 3.97Å; F368-E500 HydrophobicContact CE2-CB 3.73Å; F368-E500 HydrophobicContact CE2-CG 3.37Å; F368-E500 HydrophobicContact CZ-CB 3.97Å; F368-E500 HydrophobicContact CZ-CG 3.8Å; F368-A501 HydrophobicContact CE1-CB 3.99Å; F368-A501 HydrophobicContact CZ-CB 3.89Å
369I64.4Low72.6Confident36 Ų3648 Ų4819%0.18525%0.25CS..Hα-helixtrans-58.6-42.6172.5-67.8163.4000110.2N365 L371 C372 I373N365-I369 VanDerWaalsContact O-CG1 3.32Å; N365-I369 WeakPolarHBondContact O-CG1 3.4Å; N365-I369 PolarHBondContact O-N 3.4Å; I369-L371 VanDerWaalsContact C-N 3.35Å; I369-L371 PolarHBondContact O-N 3.36Å; I369-C372 WeakPolarHBondContact O-CB 3.31Å; I369-C372 PolarHBondContact O-N 3.34Å; I369-I373 HydrophobicContact CG2-CD1 3.9Å; I369-I373 WeakPolarHBondContact O-CG1 3.45Å; I369-I373 PolarHBondContact O-N 3.03Å
370D67.1Low72Confident64 Ų6442.5 Ų42.534%0.34223%0.233SC..Hα-helixtrans-59.8-42.3175.2-80.9-7.4000112.6N366 F368 I373 D374 R475N366-D370 WeakPolarHBondContact O-CB 3.3Å; N366-D370 VanDerWaalsContact O-CG 3.25Å; N366-D370 PolarHBondContact O-N 2.93Å; F368-D370 VanDerWaalsContact C-N 3.28Å; F368-D370 PolarHBondContact O-N 2.76Å; D370-I373 PolarHBondContact O-N 2.92Å; D370-D374 WeakPolarHBondContact O-CB 3.46Å; D370-D374 VanDerWaalsContact O-CG 3.29Å; D370-D374 PolarHBondContact O-N 3.48Å; D370-R475 VanDerWaalsContact CG-CZ 3.48Å; D370-R475 PolarHBondContact O-NH2 2.75Å; D370-R475 VanDerWaalsContact O-NH2 3.13Å; D370-R475 IonicContact OD1-CZ 2.68Å; D370-R475 IonicContact OD1-NH1 3.13Å; D370-R475 PolarHBondContact OD1-NH1 2.78Å; D370-R475 IonicContact OD1-NH2 3.43Å; D370-R475 PolarHBondContact OD1-NH2 3.39Å; D370-R475 IonicContact OD2-CZ 3.45Å; D370-R475 IonicContact OD2-NH1 2.6Å; D370-R475 PolarHBondContact OD2-NH1 2.92Å
371L78Confident71.7Confident38 Ų3843.7 Ų43.720%0.19924%0.237CC..Hα-helixtrans-64.3-42.9173.8178.962.9000111.7L360 L363 A367 F368 I369 I373 D374 V375 V497L360-L371 HydrophobicContact CD1-CD2 3.55Å; L363-L371 HydrophobicContact CD1-CD2 4.06Å; A367-L371 PolarHBondContact O-N 3.03Å; A367-L371 VanDerWaalsContact O-N 3.08Å; F368-L371 WeakPolarHBondContact O-CB 3.33Å; F368-L371 PolarHBondContact O-N 2.88Å; F368-L371 VanDerWaalsContact O-N 3.15Å; I369-L371 VanDerWaalsContact C-N 3.35Å; I369-L371 PolarHBondContact O-N 3.36Å; L371-I373 VanDerWaalsContact C-N 3.32Å; L371-I373 PolarHBondContact O-N 3.47Å; L371-D374 PolarHBondContact O-N 3.49Å; L371-V375 HydrophobicContact CD1-CG2 3.95Å; L371-V375 HydrophobicContact CG-CG2 4.35Å; L371-V375 WeakPolarHBondContact O-CB 3.49Å; L371-V375 VanDerWaalsContact O-CG2 3.3Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.93Å; L371-V497 HydrophobicContact CD2-CG2 3.92Å; L371-V497 HydrophobicContact CG-CG2 4.23Å
372C73.3Confident71.3Confident6 Ų642 Ų424%0.04123%0.225CC..Hα-helixtrans-59.7-41.1175.5-67.30000112.2L254 F368 I369 Y376 V497L254-C372 HydrophobicContact CD2-CB 3.61Å; L254-C372 HydrophobicContact CG-CB 4.17Å; F368-C372 VanDerWaalsContact CE1-SG 3.59Å; F368-C372 PolarHBondContact O-N 2.87Å; F368-C372 PolarHBondContact O-SG 3.48Å; I369-C372 WeakPolarHBondContact O-CB 3.31Å; I369-C372 PolarHBondContact O-N 3.34Å; C372-Y376 VanDerWaalsContact O-CB 3.32Å; C372-Y376 WeakPolarHBondContact O-CB 3.32Å; C372-Y376 PolarHBondContact O-N 3.12Å; C372-V497 WeakPolarHBondContact SG-CG1 3.45Å
373I67.9Low70.5Confident41 Ų4138 Ų3821%0.2120%0.203CC..Hα-helixtrans-66.8-44.1175.4-67.9164.5000111.2L254 I369 D370 L371 V375 Y376 D377 Y471L254-I373 HydrophobicContact CD1-CG1 3.79Å; L254-I373 HydrophobicContact CD2-CG1 4.13Å; I369-I373 HydrophobicContact CG2-CD1 3.9Å; I369-I373 WeakPolarHBondContact O-CG1 3.45Å; I369-I373 PolarHBondContact O-N 3.03Å; D370-I373 PolarHBondContact O-N 2.92Å; L371-I373 VanDerWaalsContact C-N 3.32Å; L371-I373 PolarHBondContact O-N 3.47Å; I373-V375 VanDerWaalsContact C-N 3.34Å; I373-V375 PolarHBondContact O-N 3Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 2.96Å; I373-D377 PolarHBondContact O-N 3.32Å; I373-Y471 WeakPolarHBondContact CG2-OH 3.33Å
374D76.5Confident69.7Low7 Ų738 Ų384%0.03721%0.205CC..Hα-helixtrans-69.5-33.2-178.4-73.18.4000111.8D370 L371 E378 R475 R479 L482D370-D374 WeakPolarHBondContact O-CB 3.46Å; D370-D374 VanDerWaalsContact O-CG 3.29Å; D370-D374 PolarHBondContact O-N 3.48Å; L371-D374 PolarHBondContact O-N 3.49Å; D374-E378 PolarHBondContact O-N 2.88Å; D374-R475 IonicContact OD1-CZ 2.71Å; D374-R475 VanDerWaalsContact OD1-CZ 3.26Å; D374-R475 IonicContact OD1-NE 3.17Å; D374-R475 PolarHBondContact OD1-NE 3.06Å; D374-R475 IonicContact OD1-NH2 3.63Å; D374-R475 PolarHBondContact OD1-NH2 3.1Å; D374-R475 WeakPolarHBondContact OD2-CG 3.31Å; D374-R475 IonicContact OD2-NE 3.87Å; D374-R475 PolarHBondContact OD2-NE 3.48Å; D374-R479 HydrophobicContact CB-CG 3.85Å; D374-R479 VanDerWaalsContact CG-CG 3.45Å; D374-R479 WeakPolarHBondContact OD2-CG 3.37Å; D374-L482 VanDerWaalsContact C-CD1 3.5Å; D374-L482 HydrophobicContact CB-CD1 3.75Å; D374-L482 WeakPolarHBondContact O-CD1 3.36Å
375V78.7Confident68.9Low0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-73-40.1171.9170.80000111.5L258 L371 I373 E378 A379 L482 F490 L493L258-V375 HydrophobicContact CD1-CG1 3.78Å; L258-V375 HydrophobicContact CD2-CG1 3.86Å; L258-V375 HydrophobicContact CG-CG1 4.48Å; L371-V375 HydrophobicContact CD1-CG2 3.95Å; L371-V375 HydrophobicContact CG-CG2 4.35Å; L371-V375 WeakPolarHBondContact O-CB 3.49Å; L371-V375 VanDerWaalsContact O-CG2 3.3Å; L371-V375 WeakPolarHBondContact O-CG2 3.46Å; L371-V375 PolarHBondContact O-N 2.93Å; I373-V375 VanDerWaalsContact C-N 3.34Å; I373-V375 PolarHBondContact O-N 3Å; V375-E378 PolarHBondContact O-N 2.7Å; V375-A379 WeakPolarHBondContact O-CB 3.34Å; V375-A379 PolarHBondContact O-N 3.38Å; V375-L482 HydrophobicContact CG2-CD1 3.99Å; V375-L482 HydrophobicContact CG2-CD2 4.2Å; V375-F490 HydrophobicContact CG1-CE2 4.18Å; V375-F490 HydrophobicContact CG1-CZ 3.98Å; V375-F490 WeakPolarHBondContact O-CZ 3.45Å; V375-L493 HydrophobicContact CG2-CD2 4.04Å; V375-L493 HydrophobicContact CG2-CG 4.39Å
376Y74.9Confident68.3Low42 Ų4232.7 Ų32.717%0.16518%0.175CC..Hα-helixtrans-56-53.8171-177.6-57.6000110.9R40 L254 S257 C372 I373 E378 A379 D380R40-Y376 VanDerWaalsContact NH1-CD1 3.27Å; R40-Y376 VanDerWaalsContact NH2-CZ 3.27Å; L254-Y376 HydrophobicContact CD1-CD2 3.81Å; L254-Y376 HydrophobicContact CD1-CG 4.34Å; S257-Y376 VanDerWaalsContact OG-CE2 3.32Å; S257-Y376 WeakPolarHBondContact OG-CE2 3.46Å; S257-Y376 PolarHBondContact OG-OH 3Å; C372-Y376 VanDerWaalsContact O-CB 3.32Å; C372-Y376 WeakPolarHBondContact O-CB 3.32Å; C372-Y376 PolarHBondContact O-N 3.12Å; I373-Y376 WeakPolarHBondContact O-CB 3.32Å; I373-Y376 PolarHBondContact O-N 2.96Å; Y376-E378 PolarHBondContact O-N 3.26Å; Y376-A379 WeakPolarHBondContact O-CB 3.28Å; Y376-A379 PolarHBondContact O-N 3.3Å; Y376-D380 HydrophobicContact CD1-CB 4.2Å; Y376-D380 HydrophobicContact CE1-CB 4.1Å; Y376-D380 WeakPolarHBondContact O-CB 3.29Å; Y376-D380 PolarHBondContact O-N 3.36Å
377D69.7Low67.2Low12 Ų1233.8 Ų33.86%0.06418%0.175CC..Hα-helixtrans-56.6-38.3-176.2-96.116.1000111.7R40 I373 R381 L465 R479R40-D377 WeakPolarHBondContact CD-OD1 3.44Å; R40-D377 IonicContact CZ-OD1 3.28Å; R40-D377 IonicContact NH1-OD1 3.16Å; R40-D377 PolarHBondContact NH1-OD1 3.07Å; I373-D377 PolarHBondContact O-N 3.32Å; D377-R381 PolarHBondContact O-N 2.94Å; D377-L465 HydrophobicContact CB-CD1 4.46Å; D377-R479 IonicContact OD2-CZ 3.37Å; D377-R479 IonicContact OD2-NE 2.95Å; D377-R479 IonicContact OD2-NH2 3.5Å; D377-R479 PolarHBondContact OD2-NH2 2.94Å
378E75.1Confident65.4Low0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-73.6-36.7177.1174.957.1-168.900112.7D374 V375 Y376 R381 R382 L465 L482 G483 F490D374-E378 PolarHBondContact O-N 2.88Å; V375-E378 PolarHBondContact O-N 2.7Å; Y376-E378 PolarHBondContact O-N 3.26Å; E378-R381 VanDerWaalsContact CD-NH2 3.34Å; E378-R381 PolarHBondContact O-N 3.43Å; E378-R381 IonicContact OE1-CZ 3.26Å; E378-R381 IonicContact OE1-NE 3.66Å; E378-R381 IonicContact OE1-NH2 3.26Å; E378-R381 PolarHBondContact OE1-NH2 2.87Å; E378-R381 IonicContact OE2-CZ 3.63Å; E378-R381 IonicContact OE2-NE 2.83Å; E378-R381 PolarHBondContact OE2-NE 3.29Å; E378-R381 IonicContact OE2-NH2 2.82Å; E378-R381 PolarHBondContact OE2-NH2 3.49Å; E378-R382 WeakPolarHBondContact O-CG 3.48Å; E378-R382 PolarHBondContact O-N 3.24Å; E378-R382 IonicContact OE1-CZ 3.4Å; E378-R382 IonicContact OE1-NE 2.64Å; E378-R382 PolarHBondContact OE1-NE 3.26Å; E378-R382 IonicContact OE1-NH2 2.68Å; E378-R382 PolarHBondContact OE1-NH2 2.88Å; E378-L465 HydrophobicContact CB-CD1 4.13Å; E378-L482 HydrophobicContact CB-CB 4.32Å; E378-L482 HydrophobicContact CG-CB 4.1Å; E378-G483 WeakPolarHBondContact OE1-CA 3.47Å; E378-F490 HydrophobicContact CB-CE2 3.82Å; E378-F490 HydrophobicContact CB-CZ 3.93Å; E378-F490 HydrophobicContact CG-CD2 3.99Å; E378-F490 HydrophobicContact CG-CE2 3.31Å; E378-F490 HydrophobicContact CG-CZ 3.63Å
379A72.6Confident63.3Low3 Ų341 Ų413%0.02520%0.204CC..Hα-helixtrans-64.5-42.9172.300000111.8L258 F261 V375 Y376 R382 L383 F490L258-A379 HydrophobicContact CD1-CB 3.97Å; F261-A379 HydrophobicContact CB-CB 4.12Å; F261-A379 HydrophobicContact CD1-CB 3.81Å; F261-A379 HydrophobicContact CD2-CB 4.14Å; F261-A379 HydrophobicContact CE1-CB 4.26Å; F261-A379 HydrophobicContact CG-CB 3.74Å; V375-A379 WeakPolarHBondContact O-CB 3.34Å; V375-A379 PolarHBondContact O-N 3.38Å; Y376-A379 WeakPolarHBondContact O-CB 3.28Å; Y376-A379 PolarHBondContact O-N 3.3Å; A379-R382 PolarHBondContact O-N 3.47Å; A379-L383 WeakPolarHBondContact O-CG 3.38Å; A379-L383 PolarHBondContact O-N 3.04Å; A379-F490 HydrophobicContact CB-CE1 4.08Å; A379-F490 HydrophobicContact CB-CZ 4.1Å
380D67.4Low61.8Low58 Ų5843.5 Ų43.531%0.3122%0.218SC..Hα-helixtrans-65.7-36.5177.1-167.837.3000112.1Y376 L383 T384Y376-D380 HydrophobicContact CD1-CB 4.2Å; Y376-D380 HydrophobicContact CE1-CB 4.1Å; Y376-D380 WeakPolarHBondContact O-CB 3.29Å; Y376-D380 PolarHBondContact O-N 3.36Å; D380-L383 PolarHBondContact O-N 3.5Å; D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 PolarHBondContact O-N 2.91Å; D380-T384 PolarHBondContact O-OG1 2.87Å
381R72Confident60.2Low40 Ų4045.2 Ų45.215%0.15123%0.226CC..Hα-helixtrans-62.2-45.7168.8-172.3-167.265.983.18.1111.6D377 E378 T384 N385 L462 L465D377-R381 PolarHBondContact O-N 2.94Å; E378-R381 VanDerWaalsContact CD-NH2 3.34Å; E378-R381 PolarHBondContact O-N 3.43Å; E378-R381 IonicContact OE1-CZ 3.26Å; E378-R381 IonicContact OE1-NE 3.66Å; E378-R381 IonicContact OE1-NH2 3.26Å; E378-R381 PolarHBondContact OE1-NH2 2.87Å; E378-R381 IonicContact OE2-CZ 3.63Å; E378-R381 IonicContact OE2-NE 2.83Å; E378-R381 PolarHBondContact OE2-NE 3.29Å; E378-R381 IonicContact OE2-NH2 2.82Å; E378-R381 PolarHBondContact OE2-NH2 3.49Å; R381-T384 PolarHBondContact O-N 2.96Å; R381-N385 PolarHBondContact NH1-ND2 3.4Å; R381-N385 WeakPolarHBondContact O-CB 3.39Å; R381-N385 PolarHBondContact O-N 2.93Å; R381-L462 PolarHBondContact NH1-O 2.98Å; R381-L465 HydrophobicContact CB-CD2 3.93Å; R381-L465 HydrophobicContact CG-CD2 4.28Å
382R69Low58Low42 Ų4249.4 Ų49.416%0.15825%0.249CC..Hα-helixtrans-63.1-41.5178.1-72.1178.3-167.9-133.8-1.2111.6F261 E378 A379 S386 L482 L485F261-R382 HydrophobicContact CE2-CB 4.05Å; F261-R382 HydrophobicContact CZ-CB 4.3Å; E378-R382 WeakPolarHBondContact O-CG 3.48Å; E378-R382 PolarHBondContact O-N 3.24Å; E378-R382 IonicContact OE1-CZ 3.4Å; E378-R382 IonicContact OE1-NE 2.64Å; E378-R382 PolarHBondContact OE1-NE 3.26Å; E378-R382 IonicContact OE1-NH2 2.68Å; E378-R382 PolarHBondContact OE1-NH2 2.88Å; A379-R382 PolarHBondContact O-N 3.47Å; R382-S386 WeakPolarHBondContact O-CB 3.35Å; R382-S386 PolarHBondContact O-N 2.88Å; R382-L482 PolarHBondContact NH2-O 3.21Å; R382-L485 PolarHBondContact NH1-O 3.19Å; R382-L485 VanDerWaalsContact NH1-O 3.13Å; R382-L485 PolarHBondContact NH2-O 3.3Å
383L62.2Low56.2Low38 Ų3853.9 Ų53.920%0.19928%0.277CS..Hα-helixtrans-58.7-51.1171.9-74.2169.8000112F261 H265 A379 D380 N385 S386 F387F261-L383 HydrophobicContact CB-CD1 4.43Å; F261-L383 HydrophobicContact CD2-CD1 4.19Å; F261-L383 HydrophobicContact CD2-CD2 3.88Å; F261-L383 HydrophobicContact CD2-CG 3.72Å; F261-L383 HydrophobicContact CE2-CG 4.35Å; H265-L383 WeakPolarHBondContact NE2-CD2 3.49Å; A379-L383 WeakPolarHBondContact O-CG 3.38Å; A379-L383 PolarHBondContact O-N 3.04Å; D380-L383 PolarHBondContact O-N 3.5Å; L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 3.43Å; L383-S386 PolarHBondContact O-N 3.34Å; L383-F387 PolarHBondContact O-N 3.46Å
384T58.7Low54.4Low52 Ų5260.3 Ų60.332%0.31930%0.303SS..Hα-helixtrans-60.7-43.5-177.5-60.80000111.5D380 R381 F387 L388D380-T384 WeakPolarHBondContact O-CB 3.4Å; D380-T384 PolarHBondContact O-N 2.91Å; D380-T384 PolarHBondContact O-OG1 2.87Å; R381-T384 PolarHBondContact O-N 2.96Å; T384-F387 WeakPolarHBondContact O-CB 3.4Å; T384-F387 PolarHBondContact O-N 3.49Å; T384-L388 PolarHBondContact O-N 2.96Å
385N52.5Low52.2Low27 Ų2767 Ų6714%0.14434%0.339CS..Hα-helixtrans-68.9-40.6178.7-70.2-12.5000112.4R381 L383 F387 L388 E389R381-N385 PolarHBondContact NH1-ND2 3.4Å; R381-N385 WeakPolarHBondContact O-CB 3.39Å; R381-N385 PolarHBondContact O-N 2.93Å; L383-N385 VanDerWaalsContact C-N 3.34Å; L383-N385 PolarHBondContact O-N 3.43Å; N385-F387 PolarHBondContact O-N 3.25Å; N385-L388 WeakPolarHBondContact O-CB 3.47Å; N385-L388 PolarHBondContact O-N 3.32Å; N385-E389 PolarHBondContact O-N 3.09Å
386S50.9Low49.8Very low32 Ų3272.9 Ų72.922%0.22437%0.37CS..Hα-helixtrans-61.2-31.3174.1-174.70000112.2R382 L383 N390R382-S386 WeakPolarHBondContact O-CB 3.35Å; R382-S386 PolarHBondContact O-N 2.88Å; L383-S386 PolarHBondContact O-N 3.34Å; S386-N390 PolarHBondContact O-N 2.89Å; S386-N390 PolarHBondContact O-ND2 2.99Å
387F36.2Very low47.5Very low129 Ų12976.9 Ų76.957%0.56640%0.401SS*.Hα-helixtrans-69.9-30.9175-141.8-81.5000112.9L383 T384 N385 L391L383-F387 PolarHBondContact O-N 3.46Å; T384-F387 WeakPolarHBondContact O-CB 3.4Å; T384-F387 PolarHBondContact O-N 3.49Å; N385-F387 PolarHBondContact O-N 3.25Å; F387-L391 HydrophobicContact CD1-CD1 3.75Å; F387-L391 HydrophobicContact CE1-CD1 3.91Å; F387-L391 VanDerWaalsContact O-CD1 3.3Å; F387-L391 WeakPolarHBondContact O-CD1 3.36Å; F387-L391 PolarHBondContact O-N 3.36Å
388L30.8Very low45.4Very low73 Ų7385 Ų8538%0.38244%0.436SS..Hα-helixtrans-71.8-43.6176.7-66.7171000112T384 N385 N390 L391 D392 L460T384-L388 PolarHBondContact O-N 2.96Å; N385-L388 WeakPolarHBondContact O-CB 3.47Å; N385-L388 PolarHBondContact O-N 3.32Å; L388-N390 PolarHBondContact O-N 3.11Å; L388-L391 PolarHBondContact O-N 3.11Å; L388-D392 PolarHBondContact O-N 3.32Å; L388-L460 HydrophobicContact CD1-CD2 4.21Å
389E32.2Very low43.1Very low121 Ų12192.8 Ų92.857%0.56547%0.472SS*.Hα-helixtrans-56.8-35174.6-66.7174.7156.600112.1N385 T393N385-E389 PolarHBondContact O-N 3.09Å; E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 2.64Å
390N33Very low40.9Very low88 Ų8899.5 Ų99.547%0.47151%0.507SS..Hα-helixtrans-70.4-33175-81.4-86.8000113.2S386 L388 F394S386-N390 PolarHBondContact O-N 2.89Å; S386-N390 PolarHBondContact O-ND2 2.99Å; L388-N390 PolarHBondContact O-N 3.11Å; N390-F394 VanDerWaalsContact O-CD2 3.32Å; N390-F394 WeakPolarHBondContact O-CD2 3.47Å
391L33.1Very low39Very low100 Ų100100.3 Ų100.352%0.52451%0.511SS..Hα-helixtrans-70.4-43.7177-98.779.2000112.3F387 L388 T393 F394F387-L391 HydrophobicContact CD1-CD1 3.75Å; F387-L391 HydrophobicContact CE1-CD1 3.91Å; F387-L391 VanDerWaalsContact O-CD1 3.3Å; F387-L391 WeakPolarHBondContact O-CD1 3.36Å; F387-L391 PolarHBondContact O-N 3.36Å; L388-L391 PolarHBondContact O-N 3.11Å; L391-T393 PolarHBondContact O-N 3.41Å; L391-F394 PolarHBondContact O-N 2.96Å; L391-F394 VanDerWaalsContact O-N 3.08Å
392D31.9Very low36.9Very low127 Ų127102.4 Ų102.468%0.67953%0.525SS*.Hα-helixtrans-64.8-24.7178.4-75.5-28.1000112.3L388 F394L388-D392 PolarHBondContact O-N 3.32Å; D392-F394 VanDerWaalsContact C-N 3.32Å; D392-F394 PolarHBondContact O-N 3.42Å
393T33.9Very low34.7Very low100 Ų100111.3 Ų111.361%0.61356%0.561SS**Hα-helixtrans-69.2-25.8174.9-56.90000112.8E389 L391 N395E389-T393 PolarHBondContact O-N 3.38Å; E389-T393 PolarHBondContact O-OG1 2.64Å; L391-T393 PolarHBondContact O-N 3.41Å; T393-N395 VanDerWaalsContact C-N 3.3Å; T393-N395 PolarHBondContact O-N 3.21Å
394F31.4Very low33Very low176 Ų176114.6 Ų114.677%0.77259%0.587SS**THydrogen-bonded Turntrans-75.1-10.9-178.1-90.8-76.1000115.2N390 L391 D392N390-F394 VanDerWaalsContact O-CD2 3.32Å; N390-F394 WeakPolarHBondContact O-CD2 3.47Å; L391-F394 PolarHBondContact O-N 2.96Å; L391-F394 VanDerWaalsContact O-N 3.08Å; D392-F394 VanDerWaalsContact C-N 3.32Å; D392-F394 PolarHBondContact O-N 3.42Å
395N30.3Very low31.4Very low148 Ų148118.1 Ų118.179%0.79160%0.603SS**THydrogen-bonded Turntrans-98.812.2178.3-81.5-46.1000114.4T393T393-N395 VanDerWaalsContact C-N 3.3Å; T393-N395 PolarHBondContact O-N 3.21Å
396N27.4Very low30.1Very low122 Ų122125.8 Ų125.865%0.65264%0.635SS**  trans-122.392.1-179.4-156.8-11.7000111.3K398N396-K398 VanDerWaalsContact C-N 3.27Å; N396-K398 PolarHBondContact O-N 3.1Å
397P27Very low28.8Very low126 Ų126131.4 Ų131.482%0.81866%0.662SS**  trans-7869.4-168.232.3-36.9000112.2
398K25.2Very low28.2Very low183 Ų183128.5 Ų128.580%0.79667%0.669SS**SBendtrans-151.618.7-178.7-123.9170.1-170.7177.50119N396N396-K398 VanDerWaalsContact C-N 3.27Å; N396-K398 PolarHBondContact O-N 3.1Å
399H28.2Very low28.1Very low164 Ų164130.5 Ų130.576%0.75969%0.689SS**  trans-153.6109.5147-129.3-95.6000111.8
400L25Very low27.8Very low143 Ų143132.6 Ų132.675%0.74970%0.704SS**  trans-139.1108.4171.1-162.392.5000108.6S1257L400-S1257 PolarHBondContact O-OG 2.84Å
401N27.3Very low27.6Very low76 Ų76132.9 Ų132.941%0.40672%0.719SS.*  trans166.8125.5158.6-93.96.7000107L1255 V1256N401-L1255 WeakPolarHBondContact O-CD2 3.46Å; N401-V1256 PolarHBondContact ND2-O 2.72Å
402N28.1Very low27.3Very low83 Ų83132.6 Ų132.644%0.44473%0.725SS.*  cis-135.6162.51.1-72.7-8.9000110.7L1255N402-L1255 HydrophobicContact CB-CD2 3.88Å; N402-L1255 HydrophobicContact CB-CG 3.83Å; N402-L1255 VanDerWaalsContact N-CD2 3.33Å
403Y24.1Very low27.1Very low230 Ų230133.3 Ų133.390%0.90273%0.729SS**  trans-136.9124.2147.3-107-78.6000109.8
404S26.2Very low26.9Very low107 Ų107134.5 Ų134.575%0.74873%0.731SS**  trans-168.396.9163.5-169.40000106.2
405I25.8Very low26.8Very low126 Ų126131.2 Ų131.265%0.64672%0.722SS**  52.4101.478.5-43168.9000112.3
406F24.4Very low26.7Very low187 Ų187130 Ų13082%0.8272%0.716SS**  -175.1173.4105.5-115.6-76.7000113.1
407N23.7Very low26.7Very low150 Ų150130.2 Ų130.280%0.80272%0.717SS**  trans-81159.6-175.6-57.2-31.2000114.1
408G23.7Very low26.8Very low68 Ų68130 Ų13070%0.70171%0.708SS**  121.1121.7125.500000119.8
409S28.6Very low26.9Very low116 Ų116127.4 Ų127.481%0.81171%0.708SS**  trans64.898.8140-55.40000121.9
410N25.4Very low26.7Very low165 Ų165124.1 Ų124.188%0.88270%0.704SS**  52.6127.3123.7-69.60.4000123.6
411A28.1Very low26.9Very low94 Ų94123.3 Ų123.378%0.77771%0.705SS**  99.6104.912800000121.7
412S27.2Very low26.9Very low94 Ų94128.1 Ų128.166%0.65772%0.722SS**  81.7105.1123.6-175.20000121
413N29.3Very low26.7Very low141 Ų141130.1 Ų130.175%0.75473%0.733SS**  51.6136.1124.2-48.7-1.8000119
414N28.4Very low26.9Very low125 Ų125126.5 Ų126.567%0.66872%0.724SS**  cis-162.5-1698.2-122.730.3000108
415D29Very low26.9Very low108 Ų108128.4 Ų128.458%0.57873%0.725SS**  cis-160.8-176.913.3-138.7-43.1000112.3
416N28.4Very low26.9Very low123 Ų123130.6 Ų130.666%0.65873%0.732SS**  trans26132.3147.4-67.6-46.5000120.2
417N27.6Very low27Very low126 Ų126125.2 Ų125.267%0.67472%0.722SS**  cis-170.916041.8-134-24000115.4
418N28.2Very low27.2Very low120 Ų120123 Ų12364%0.64272%0.719SS**  trans64.5116.4148-77.3-24.5000124.6
419T29Very low27.4Very low130 Ų130126.8 Ų126.880%0.79872%0.721SS**  63.1159.5129.963.50000121.4
420S23.1Very low27.4Very low94 Ų94126.9 Ų126.966%0.65772%0.717SS**  cis175.8171.9-26-172.60000106.9
421T29.4Very low27.7Very low126 Ų126127.2 Ų127.277%0.77371%0.71SS**  trans63.5162.716556.50000118.6
422K26.4Very low27.5Very low178 Ų178129.9 Ų129.977%0.77471%0.707SS**  cis-178.4155.7-46.1-120.9-176.9179.1-179.40108.7
423N25Very low27.6Very low125 Ų125132.3 Ų132.367%0.66872%0.718SS**  trans61.6169.2160-61.526.5000115.5
424E28.7Very low27.3Very low153 Ų153135.5 Ų135.572%0.71572%0.719SS**  cis-143.8148.5-25.3-119.4159.1-65.900106
425L24.9Very low27.3Very low147 Ų147135.4 Ų135.477%0.7773%0.725SS**  cis80.5138.136.2-96.1172.7000116.7
426H25.8Very low27.1Very low172 Ų172134.2 Ų134.280%0.79672%0.722SS**  trans66.7146.3174.6-82.7-86.5000117.7
427A27.2Very low27Very low74 Ų74135.1 Ų135.161%0.61273%0.725SS**  cis-160.1177.5-5.200000112
428S27.9Very low27Very low105 Ų105137.3 Ų137.373%0.73473%0.732SS**  trans113.6135.3146.3-58.40000116.9
429I28Very low26.8Very low146 Ų146136.6 Ų136.675%0.74974%0.736SS**  cis-165.7155.6-9.8-130.3163000111.7
430V28.9Very low26.6Very low118 Ų118133.9 Ų133.972%0.71573%0.734SS**  trans70.2137.8158154.80000118.3
431K30.7Very low27.1Very low173 Ų173135 Ų13575%0.75274%0.739SS**  cis-146.4166.88-137.5164-161.7173.60114.7
432E25Very low26.8Very low150 Ų150136.6 Ų136.670%0.70174%0.743SS**  trans-76.3164.6-179.7-41.3104.2113.500114
433T29.1Very low27.2Very low145 Ų145133.1 Ų133.189%0.8974%0.739SS**  -168.1158.377.2200000114.6
434R22.4Very low27.1Very low208 Ų208132.5 Ų132.579%0.78574%0.744SS**  trans-108.7157.9171.4-144.4-173.4179.4-173.94.5108.8T436R434-T436 WeakPolarHBondContact CD-OG1 3.48Å
435P29.5Very low26.9Very low122 Ų122132 Ų13279%0.79275%0.745SS**  -135.3153.882.524-3.8000113.8
436T24.2Very low26.9Very low84 Ų84132 Ų13252%0.51574%0.741SS.*  cis89.7144.242.3-360000113.4R434R434-T436 WeakPolarHBondContact CD-OG1 3.48Å
437I26.7Very low26.9Very low141 Ų141132.5 Ų132.572%0.72374%0.741SS**  trans79.9133.6167.1-57.6-173.2000115.1
438Q27.6Very low26.6Very low173 Ų173135 Ų13581%0.80875%0.748SS**  cis-154.4171.6-10.4-121.7169.8-10.800113.9
439S24.5Very low26.5Very low104 Ų104135.2 Ų135.273%0.72775%0.746SS**  trans-55.4140.2-177.450.20000123.1
440G24.2Very low26.3Very low73 Ų73134.2 Ų134.275%0.75375%0.747SS**  trans66.8-174.4133.100000121.2
441P32.6Very low26.1Very low118 Ų118134.8 Ų134.877%0.76675%0.745SS**  cis-141.8145.1-4737-20.7000116.2
442N24.6Very low25.8Very low160 Ų160136.8 Ų136.886%0.85675%0.748SS**  trans61.5172.8158-76.5-6.8000119.3
443P33.2Very low26Very low105 Ų105139 Ų13968%0.68276%0.758SS**  cis-133.9165.2-38.135.8-19.8000115.4
444S23.8Very low25.8Very low111 Ų111137.9 Ų137.978%0.77675%0.751SS**  trans67.9155.3159.281.70000117.8
445L23.9Very low26.1Very low142 Ų142133.2 Ų133.274%0.74375%0.751SS**  cis-151.2165.6-0.1-162.659.9000110.9
446H26.2Very low25.8Very low149 Ų149131.6 Ų131.669%0.6975%0.747SS**  trans80.9107.8163.5-68.7-55.7000123
447K24.1Very low25.9Very low182 Ų182135 Ų13579%0.79176%0.761SS**  70.6135.9129.1-71.5-172.4171.4-178.10123
448T22.6Very low26Very low125 Ų125134 Ų13477%0.76776%0.761SS**  trans83.9116.3143.729.90000123
449T24.2Very low26Very low110 Ų110132.9 Ų132.968%0.67576%0.761SS**  95.1100.4128.8-54.60000120.9
450T25Very low26.3Very low126 Ų126133.8 Ų133.877%0.77376%0.757SS**  trans69.1155.6152.264.70000118.1
451L23.9Very low26.9Very low129 Ų129133.7 Ų133.768%0.67574%0.742SS**  cis-162.9158.938.4-161.487.1000113.3
452R24Very low27.4Very low216 Ų216133.4 Ų133.482%0.81573%0.733SS**  trans65.4112.7161.3-79.8171-166.1175.75.4120.9
453Q29.1Very low28.5Very low197 Ų197132.3 Ų132.392%0.92172%0.721SS**  -122.6169.7125.9-85.4-172.9-17.500108.9
454T26.7Very low29.6Very low121 Ų121130.8 Ų130.874%0.74270%0.704SS**  trans-144.2155.7-176.554.50000108.9
455S27.1Very low31.2Very low110 Ų110126.1 Ų126.177%0.76967%0.67SS**  cis-143.6-175.726.3-59.60000112.6
456A23.9Very low32.8Very low87 Ų87122.5 Ų122.572%0.71966%0.655SS**  trans-54.9153.715400000110.3
457I27Very low34.5Very low156 Ų156117.7 Ų117.780%0.864%0.637SS**  cis-133.3130.235-62.3156.5000111.4
458T28.9Very low36.1Very low119 Ų119109.1 Ų109.173%0.7360%0.6SS**  trans-145.893.3173.244.40000110.1
459N26.9Very low37.8Very low150 Ų150109.3 Ų109.380%0.80260%0.601SS**  trans-144.647.8-168.7-1191.4000116.1
460L30.3Very low39Very low123 Ų123109.1 Ų109.164%0.64460%0.6SS**  trans-154.826.2149.6-13980.5000115.1L388 L462L388-L460 HydrophobicContact CD1-CD2 4.21Å; L460-L462 PolarHBondContact O-N 3Å
461T37Very low41Very low72 Ų72105.5 Ų105.544%0.44257%0.573SS.*  trans-72.988.8-175.6-38.40000111.7F463T461-F463 HydrophobicContact CG2-CD2 4.31Å; T461-F463 HydrophobicContact CG2-CE1 4.1Å; T461-F463 HydrophobicContact CG2-CE2 3.83Å; T461-F463 HydrophobicContact CG2-CZ 3.72Å; T461-F463 WeakPolarHBondContact O-CD2 3.49Å; T461-F463 PolarHBondContact O-N 3.45Å
462L43.4Very low43.2Very low111 Ų111102.9 Ų102.958%0.58157%0.565SS**  trans-67.489.4174.9-86.9169.5000111.1R381 L460 F464R381-L462 PolarHBondContact NH1-O 2.98Å; L460-L462 PolarHBondContact O-N 3Å; L462-F464 PolarHBondContact O-N 3.34Å
463F48Very low45.4Very low137 Ų13797.7 Ų97.760%0.60156%0.562SS**  trans-66.6-9.4-178.1-76.7-77.9000115.4T461T461-F463 HydrophobicContact CG2-CD2 4.31Å; T461-F463 HydrophobicContact CG2-CE1 4.1Å; T461-F463 HydrophobicContact CG2-CE2 3.83Å; T461-F463 HydrophobicContact CG2-CZ 3.72Å; T461-F463 WeakPolarHBondContact O-CD2 3.49Å; T461-F463 PolarHBondContact O-N 3.45Å
464F54.9Low47.6Very low74 Ų7493.6 Ų93.633%0.32555%0.55SS.*SBendtrans-133.2139.8-175.7-60.6-54.9000112L462L462-F464 PolarHBondContact O-N 3.34Å
465L57.9Low49.7Very low12 Ų1289.5 Ų89.56%0.06352%0.521CS..PPolyproline II helixtrans-69.1137.1164.7-80.7165.7000108.6D377 E378 R381 R479 Q480D377-L465 HydrophobicContact CB-CD1 4.46Å; E378-L465 HydrophobicContact CB-CD1 4.13Å; R381-L465 HydrophobicContact CB-CD2 3.93Å; R381-L465 HydrophobicContact CG-CD2 4.28Å; L465-R479 HydrophobicContact CD1-CB 3.95Å; L465-R479 HydrophobicContact CD1-CG 4.47Å; L465-Q480 PolarHBondContact O-NE2 3.41Å
466P58.6Low51.9Low66 Ų6685.1 Ų85.143%0.42949%0.489SS..PPolyproline II helixtrans-54.9131.2170.2-27.335.7000110.9N468 R479P466-N468 PolarHBondContact O-N 3.13Å; P466-R479 PolarHBondContact O-NH1 2.74Å
467P60.3Low54.4Low49 Ų4986 Ų8632%0.31848%0.478SS..PPolyproline II helixtrans-66.5119.1177.127-32.6000109.4T469 N476P467-T469 PolarHBondContact O-N 3.36Å; P467-N476 WeakPolarHBondContact CA-OD1 3.41Å; P467-N476 HydrophobicContact CB-CB 4.4Å
468N57.9Low56.7Low2 Ų280.5 Ų80.51%0.01146%0.456CS..PPolyproline II helixtrans-76.4120.6179.1169.810.9000109.5H41 P466 T470 Y471 N476H41-N468 HydrophobicContact CB-CB 4.27Å; H41-N468 VanDerWaalsContact CB-CG 3.42Å; H41-N468 WeakPolarHBondContact CB-ND2 3.27Å; H41-N468 WeakPolarHBondContact CB-OD1 3.15Å; H41-N468 VanDerWaalsContact CD2-CG 3.42Å; H41-N468 PolarHBondContact CD2-OD1 3.23Å; H41-N468 VanDerWaalsContact CG-OD1 3.22Å; P466-N468 PolarHBondContact O-N 3.13Å; N468-T470 PolarHBondContact ND2-OG1 3.1Å; N468-T470 PolarHBondContact O-N 2.94Å; N468-T470 PolarHBondContact OD1-N 3.49Å; N468-T470 PolarHBondContact OD1-OG1 3.03Å; N468-Y471 HydrophobicContact CB-CD2 3.72Å; N468-Y471 HydrophobicContact CB-CE2 4.22Å; N468-Y471 HydrophobicContact CB-CG 3.98Å; N468-Y471 WeakPolarHBondContact ND2-CD1 3.4Å; N468-Y471 VanDerWaalsContact ND2-CD2 3.34Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.33Å; N468-Y471 WeakPolarHBondContact ND2-CE1 3.33Å; N468-Y471 WeakPolarHBondContact ND2-CE2 3.46Å; N468-Y471 VanDerWaalsContact ND2-CZ 3.31Å; N468-Y471 PolarHBondContact O-N 3.32Å; N468-N476 PolarHBondContact N-OD1 3.37Å; N468-N476 PolarHBondContact O-ND2 2.95Å
469T58.1Low59.1Low129 Ų12975.2 Ų75.279%0.79142%0.422SS*.THydrogen-bonded Turntrans-66.7-17-179.152.60000114.5P467P467-T469 PolarHBondContact O-N 3.36Å
470T50.6Low61.6Low106 Ų10669.5 Ų69.565%0.6539%0.391SS*.THydrogen-bonded Turntrans-83.6-12172.575.80000113.4N468N468-T470 PolarHBondContact ND2-OG1 3.1Å; N468-T470 PolarHBondContact O-N 2.94Å; N468-T470 PolarHBondContact OD1-N 3.49Å; N468-T470 PolarHBondContact OD1-OG1 3.03Å
471Y65.7Low63.9Low50 Ų5069.2 Ų69.220%0.19639%0.385CS..SBendtrans-95.5145.7177.9-69.3-9.9000111.8I373 N468 R475 N476I373-Y471 WeakPolarHBondContact CG2-OH 3.33Å; N468-Y471 HydrophobicContact CB-CD2 3.72Å; N468-Y471 HydrophobicContact CB-CE2 4.22Å; N468-Y471 HydrophobicContact CB-CG 3.98Å; N468-Y471 WeakPolarHBondContact ND2-CD1 3.4Å; N468-Y471 VanDerWaalsContact ND2-CD2 3.34Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.33Å; N468-Y471 WeakPolarHBondContact ND2-CE1 3.33Å; N468-Y471 WeakPolarHBondContact ND2-CE2 3.46Å; N468-Y471 VanDerWaalsContact ND2-CZ 3.31Å; N468-Y471 PolarHBondContact O-N 3.32Å; Y471-R475 HydrophobicContact CD2-CG 4.14Å; Y471-R475 HydrophobicContact CG-CG 4.26Å; Y471-N476 PolarHBondContact O-ND2 2.98Å
472S71.7Confident65.9Low73 Ų7366.5 Ų66.551%0.5137%0.367SS..  trans-59.1154.2175.373.80000111.7V474 R475 N476S472-V474 PolarHBondContact O-N 3.25Å; S472-R475 PolarHBondContact O-N 3Å; S472-R475 WeakPolarHBondContact OG-CB 3.42Å; S472-R475 PolarHBondContact OG-N 3.44Å; S472-R475 VanDerWaalsContact OG-N 3.16Å; S472-N476 PolarHBondContact O-N 3.5Å; S472-N476 PolarHBondContact O-ND2 3.45Å
473S70.4Confident67.3Low107 Ų10761.8 Ų61.875%0.74835%0.346SS*.Hα-helixtrans-54.3-38.2175.5-177.60000112Q477S473-Q477 WeakPolarHBondContact O-CB 3.46Å; S473-Q477 PolarHBondContact O-N 2.91Å
474V74Confident68.5Low112 Ų11263 Ų6368%0.67935%0.346SS*.Hα-helixtrans-62.2-46.6175.4-177.30000111.7S472 Q477 A478S472-V474 PolarHBondContact O-N 3.25Å; V474-Q477 WeakPolarHBondContact O-CB 3.4Å; V474-Q477 PolarHBondContact O-N 2.95Å; V474-A478 PolarHBondContact O-N 3.3Å
475R72.2Confident69.4Low34 Ų3461.6 Ų61.613%0.12834%0.342CS..Hα-helixtrans-68.7-40.6179.3-174.5175.1179.3167.73.8112.2D370 D374 Y471 S472 Q477 A478 R479D370-R475 VanDerWaalsContact CG-CZ 3.48Å; D370-R475 PolarHBondContact O-NH2 2.75Å; D370-R475 VanDerWaalsContact O-NH2 3.13Å; D370-R475 IonicContact OD1-CZ 2.68Å; D370-R475 IonicContact OD1-NH1 3.13Å; D370-R475 PolarHBondContact OD1-NH1 2.78Å; D370-R475 IonicContact OD1-NH2 3.43Å; D370-R475 PolarHBondContact OD1-NH2 3.39Å; D370-R475 IonicContact OD2-CZ 3.45Å; D370-R475 IonicContact OD2-NH1 2.6Å; D370-R475 PolarHBondContact OD2-NH1 2.92Å; D374-R475 IonicContact OD1-CZ 2.71Å; D374-R475 VanDerWaalsContact OD1-CZ 3.26Å; D374-R475 IonicContact OD1-NE 3.17Å; D374-R475 PolarHBondContact OD1-NE 3.06Å; D374-R475 IonicContact OD1-NH2 3.63Å; D374-R475 PolarHBondContact OD1-NH2 3.1Å; D374-R475 WeakPolarHBondContact OD2-CG 3.31Å; D374-R475 IonicContact OD2-NE 3.87Å; D374-R475 PolarHBondContact OD2-NE 3.48Å; Y471-R475 HydrophobicContact CD2-CG 4.14Å; Y471-R475 HydrophobicContact CG-CG 4.26Å; S472-R475 PolarHBondContact O-N 3Å; S472-R475 WeakPolarHBondContact OG-CB 3.42Å; S472-R475 PolarHBondContact OG-N 3.44Å; S472-R475 VanDerWaalsContact OG-N 3.16Å; R475-Q477 VanDerWaalsContact C-N 3.3Å; R475-Q477 PolarHBondContact O-N 3.08Å; R475-A478 WeakPolarHBondContact O-CA 3.49Å; R475-A478 WeakPolarHBondContact O-CB 3.47Å; R475-A478 PolarHBondContact O-N 2.91Å; R475-A478 VanDerWaalsContact O-N 3.08Å; R475-R479 PolarHBondContact O-N 3.31Å
476N72.6Confident70Confident18 Ų1863.6 Ų63.610%0.09636%0.357CS..Hα-helixtrans-61.1-40171-81-53.4000111.8P467 N468 Y471 S472 A478 R479 Q480P467-N476 WeakPolarHBondContact CA-OD1 3.41Å; P467-N476 HydrophobicContact CB-CB 4.4Å; N468-N476 PolarHBondContact N-OD1 3.37Å; N468-N476 PolarHBondContact O-ND2 2.95Å; Y471-N476 PolarHBondContact O-ND2 2.98Å; S472-N476 PolarHBondContact O-N 3.5Å; S472-N476 PolarHBondContact O-ND2 3.45Å; N476-A478 VanDerWaalsContact C-N 3.3Å; N476-A478 PolarHBondContact O-N 2.54Å; N476-R479 PolarHBondContact O-N 3.46Å; N476-R479 PolarHBondContact OD1-NH1 3.17Å; N476-Q480 WeakPolarHBondContact O-CG 3.39Å; N476-Q480 PolarHBondContact O-N 2.68Å
477Q76.9Confident70.4Confident106 Ų10665.5 Ų65.550%0.49537%0.368SS..Hα-helixtrans-63.4-34.9172.7-162.5-163.57600112.2S473 V474 R475 Q480 K481S473-Q477 WeakPolarHBondContact O-CB 3.46Å; S473-Q477 PolarHBondContact O-N 2.91Å; V474-Q477 WeakPolarHBondContact O-CB 3.4Å; V474-Q477 PolarHBondContact O-N 2.95Å; R475-Q477 VanDerWaalsContact C-N 3.3Å; R475-Q477 PolarHBondContact O-N 3.08Å; Q477-Q480 PolarHBondContact O-N 3.49Å; Q477-K481 WeakPolarHBondContact O-CG 3.47Å; Q477-K481 PolarHBondContact O-N 3.38Å
478A74.6Confident70.6Confident40 Ų4069.2 Ų69.233%0.33138%0.383SS..Hα-helixtrans-63.6-47172.800000111.7V474 R475 N476 Q480 K481 L482V474-A478 PolarHBondContact O-N 3.3Å; R475-A478 WeakPolarHBondContact O-CA 3.49Å; R475-A478 WeakPolarHBondContact O-CB 3.47Å; R475-A478 PolarHBondContact O-N 2.91Å; R475-A478 VanDerWaalsContact O-N 3.08Å; N476-A478 VanDerWaalsContact C-N 3.3Å; N476-A478 PolarHBondContact O-N 2.54Å; A478-Q480 VanDerWaalsContact C-N 3.3Å; A478-Q480 PolarHBondContact O-N 2.8Å; A478-K481 WeakPolarHBondContact O-CA 3.43Å; A478-K481 WeakPolarHBondContact O-CB 3.31Å; A478-K481 PolarHBondContact O-N 3.26Å; A478-L482 PolarHBondContact O-N 3.23Å
479R79.4Confident71.3Confident8 Ų874 Ų743%0.0341%0.406CS..Hα-helixtrans-56.7-41.2172.7-68.8169.679.1-1134.9112.1D374 D377 L465 P466 R475 N476 K481 L482 G483D374-R479 HydrophobicContact CB-CG 3.85Å; D374-R479 VanDerWaalsContact CG-CG 3.45Å; D374-R479 WeakPolarHBondContact OD2-CG 3.37Å; D377-R479 IonicContact OD2-CZ 3.37Å; D377-R479 IonicContact OD2-NE 2.95Å; D377-R479 IonicContact OD2-NH2 3.5Å; D377-R479 PolarHBondContact OD2-NH2 2.94Å; L465-R479 HydrophobicContact CD1-CB 3.95Å; L465-R479 HydrophobicContact CD1-CG 4.47Å; P466-R479 PolarHBondContact O-NH1 2.74Å; R475-R479 PolarHBondContact O-N 3.31Å; N476-R479 PolarHBondContact O-N 3.46Å; N476-R479 PolarHBondContact OD1-NH1 3.17Å; R479-K481 VanDerWaalsContact C-N 3.28Å; R479-K481 PolarHBondContact O-N 3.13Å; R479-L482 PolarHBondContact O-N 2.76Å; R479-G483 PolarHBondContact O-N 2.93Å; R479-G483 VanDerWaalsContact O-N 3.08Å
480Q78.4Confident72.3Confident30 Ų3068 Ų6814%0.1437%0.369CS..Hα-helixtrans-69.2-19.9172.9-55.2-48.8-12.500114.3L465 N476 Q477 A478 R484L465-Q480 PolarHBondContact O-NE2 3.41Å; N476-Q480 WeakPolarHBondContact O-CG 3.39Å; N476-Q480 PolarHBondContact O-N 2.68Å; Q477-Q480 PolarHBondContact O-N 3.49Å; A478-Q480 VanDerWaalsContact C-N 3.3Å; A478-Q480 PolarHBondContact O-N 2.8Å; Q480-R484 PolarHBondContact O-NH1 3.01Å
481K79.5Confident73.1Confident118 Ų11864.8 Ų64.851%0.51335%0.346SS..Hα-helixtrans-81.3-40.9173.5-75.6163.5170.2171.40110.9Q477 A478 R479 G483 R484 L485Q477-K481 WeakPolarHBondContact O-CG 3.47Å; Q477-K481 PolarHBondContact O-N 3.38Å; A478-K481 WeakPolarHBondContact O-CA 3.43Å; A478-K481 WeakPolarHBondContact O-CB 3.31Å; A478-K481 PolarHBondContact O-N 3.26Å; R479-K481 VanDerWaalsContact C-N 3.28Å; R479-K481 PolarHBondContact O-N 3.13Å; K481-G483 VanDerWaalsContact C-N 3.28Å; K481-G483 PolarHBondContact O-N 3.28Å; K481-R484 WeakPolarHBondContact O-CB 3.31Å; K481-R484 PolarHBondContact O-N 3.48Å; K481-L485 PolarHBondContact O-N 3.02Å
482L78.9Confident73.5Confident14 Ų1464.7 Ų64.77%0.07335%0.351CS..Hα-helixtrans-57.2-42.4171-63176.8000111.5D374 V375 E378 R382 A478 R479 R484 L485 L493D374-L482 VanDerWaalsContact C-CD1 3.5Å; D374-L482 HydrophobicContact CB-CD1 3.75Å; D374-L482 WeakPolarHBondContact O-CD1 3.36Å; V375-L482 HydrophobicContact CG2-CD1 3.99Å; V375-L482 HydrophobicContact CG2-CD2 4.2Å; E378-L482 HydrophobicContact CB-CB 4.32Å; E378-L482 HydrophobicContact CG-CB 4.1Å; R382-L482 PolarHBondContact NH2-O 3.21Å; A478-L482 PolarHBondContact O-N 3.23Å; R479-L482 PolarHBondContact O-N 2.76Å; L482-R484 PolarHBondContact O-N 2.99Å; L482-R484 VanDerWaalsContact O-N 3.08Å; L482-L485 HydrophobicContact CD2-CD1 3.94Å; L482-L485 WeakPolarHBondContact O-CB 3.44Å; L482-L485 PolarHBondContact O-N 3.22Å; L482-L485 VanDerWaalsContact O-N 3.09Å; L482-L493 HydrophobicContact CD2-CD2 3.43Å; L482-L493 VanDerWaalsContact CD2-CD2 3.43Å
483G72Confident74Confident13 Ų1363.3 Ų63.313%0.13434%0.337CS..THydrogen-bonded Turntrans-57-19.2173.300000115.9E378 R479 K481E378-G483 WeakPolarHBondContact OE1-CA 3.47Å; R479-G483 PolarHBondContact O-N 2.93Å; R479-G483 VanDerWaalsContact O-N 3.08Å; K481-G483 VanDerWaalsContact C-N 3.28Å; K481-G483 PolarHBondContact O-N 3.28Å
484R74.2Confident74.2Confident161 Ų16158.2 Ų58.261%0.60830%0.302SS*.THydrogen-bonded Turntrans-97.3-11.6178.5-71.4175.3171.279.3-0.5114.2Q480 K481 L482Q480-R484 PolarHBondContact O-NH1 3.01Å; K481-R484 WeakPolarHBondContact O-CB 3.31Å; K481-R484 PolarHBondContact O-N 3.48Å; L482-R484 PolarHBondContact O-N 2.99Å; L482-R484 VanDerWaalsContact O-N 3.08Å
485L73.7Confident74.1Confident45 Ų4554.2 Ų54.224%0.23628%0.276CS..SBendtrans-66.7134.2178.1-64179.3000110.1R382 K481 L482 E489 F490 L493R382-L485 PolarHBondContact NH1-O 3.19Å; R382-L485 VanDerWaalsContact NH1-O 3.13Å; R382-L485 PolarHBondContact NH2-O 3.3Å; K481-L485 PolarHBondContact O-N 3.02Å; L482-L485 HydrophobicContact CD2-CD1 3.94Å; L482-L485 WeakPolarHBondContact O-CB 3.44Å; L482-L485 PolarHBondContact O-N 3.22Å; L482-L485 VanDerWaalsContact O-N 3.09Å; L485-E489 HydrophobicContact CB-CB 4.13Å; L485-E489 HydrophobicContact CD2-CB 4.14Å; L485-F490 HydrophobicContact CB-CB 4.03Å; L485-F490 HydrophobicContact CD1-CD2 4.29Å; L485-L493 HydrophobicContact CD1-CD2 3.82Å
486S71.1Confident74.5Confident54 Ų5453.9 Ų53.938%0.37828%0.277SS..  trans-58.2163.7169.5670000111I488 E489 F490S486-I488 PolarHBondContact O-N 3.26Å; S486-E489 WeakPolarHBondContact CB-OE2 3.44Å; S486-E489 PolarHBondContact N-OE2 2.74Å; S486-E489 PolarHBondContact O-N 3.23Å; S486-E489 WeakPolarHBondContact OG-CG 3.39Å; S486-E489 PolarHBondContact OG-N 2.88Å; S486-E489 PolarHBondContact OG-OE2 3.02Å; S486-F490 VanDerWaalsContact O-CB 3.27Å; S486-F490 WeakPolarHBondContact O-CB 3.39Å; S486-F490 PolarHBondContact O-N 2.75Å
487T67.4Low74.9Confident107 Ų10753 Ų5366%0.65627%0.273SS*.Hα-helixtrans-57.3-33.4177.9-50.10000112.2H491T487-H491 WeakPolarHBondContact O-CB 3.49Å; T487-H491 PolarHBondContact O-N 2.81Å
488I64.3Low74.8Confident126 Ų12649.2 Ų49.265%0.64626%0.256SS*.Hα-helixtrans-73.1-52.7178.8-57.2175.6000110.5S486 F490 H491 T492S486-I488 PolarHBondContact O-N 3.26Å; I488-F490 VanDerWaalsContact C-N 3.31Å; I488-F490 PolarHBondContact O-N 3.49Å; I488-H491 WeakPolarHBondContact O-CB 3.33Å; I488-H491 PolarHBondContact O-N 2.76Å; I488-H491 VanDerWaalsContact O-N 3.1Å; I488-T492 PolarHBondContact O-N 2.95Å; I488-T492 PolarHBondContact O-OG1 3.06Å
489E72.3Confident74.7Confident104 Ų10450.7 Ų50.749%0.48626%0.261SS..Hα-helixtrans-60.4-40.9179.3-66.4160.9115.500112.2L485 S486 H491 T492 L493L485-E489 HydrophobicContact CB-CB 4.13Å; L485-E489 HydrophobicContact CD2-CB 4.14Å; S486-E489 WeakPolarHBondContact CB-OE2 3.44Å; S486-E489 PolarHBondContact N-OE2 2.74Å; S486-E489 PolarHBondContact O-N 3.23Å; S486-E489 WeakPolarHBondContact OG-CG 3.39Å; S486-E489 PolarHBondContact OG-N 2.88Å; S486-E489 PolarHBondContact OG-OE2 3.02Å; E489-H491 VanDerWaalsContact C-N 3.34Å; E489-T492 PolarHBondContact O-N 2.72Å; E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 PolarHBondContact O-N 2.9Å
490F78.9Confident74.5Confident2 Ų250.8 Ų50.81%0.00926%0.261CS..Hα-helixtrans-66.3-37.2176.5-172.7-101.8000111.7F261 V375 E378 A379 L485 S486 I488 T494F261-F490 HydrophobicContact CD1-CE1 4.3Å; F261-F490 AromaticContact CE1-CD1 3.91Å; F261-F490 HydrophobicContact CE1-CD1 3.91Å; F261-F490 AromaticContact CE1-CE1 3.59Å; F261-F490 HydrophobicContact CE1-CE1 3.59Å; F261-F490 HydrophobicContact CZ-CD1 4.33Å; F261-F490 HydrophobicContact CZ-CE1 4.09Å; V375-F490 HydrophobicContact CG1-CE2 4.18Å; V375-F490 HydrophobicContact CG1-CZ 3.98Å; V375-F490 WeakPolarHBondContact O-CZ 3.45Å; E378-F490 HydrophobicContact CB-CE2 3.82Å; E378-F490 HydrophobicContact CB-CZ 3.93Å; E378-F490 HydrophobicContact CG-CD2 3.99Å; E378-F490 HydrophobicContact CG-CE2 3.31Å; E378-F490 HydrophobicContact CG-CZ 3.63Å; A379-F490 HydrophobicContact CB-CE1 4.08Å; A379-F490 HydrophobicContact CB-CZ 4.1Å; L485-F490 HydrophobicContact CB-CB 4.03Å; L485-F490 HydrophobicContact CD1-CD2 4.29Å; S486-F490 VanDerWaalsContact O-CB 3.27Å; S486-F490 WeakPolarHBondContact O-CB 3.39Å; S486-F490 PolarHBondContact O-N 2.75Å; I488-F490 VanDerWaalsContact C-N 3.31Å; I488-F490 PolarHBondContact O-N 3.49Å; F490-T494 WeakPolarHBondContact O-CB 3.31Å; F490-T494 PolarHBondContact O-N 3.41Å; F490-T494 PolarHBondContact O-OG1 3.49Å
491H68Low74Confident39 Ų3949.5 Ų49.518%0.18126%0.256CS..Hα-helixtrans-65.2-46.3173.7171.350.8000112.2L262 T487 I488 E489 L493 T494 L495L262-H491 WeakPolarHBondContact CD2-ND1 3.12Å; T487-H491 WeakPolarHBondContact O-CB 3.49Å; T487-H491 PolarHBondContact O-N 2.81Å; I488-H491 WeakPolarHBondContact O-CB 3.33Å; I488-H491 PolarHBondContact O-N 2.76Å; I488-H491 VanDerWaalsContact O-N 3.1Å; E489-H491 VanDerWaalsContact C-N 3.34Å; H491-L493 PolarHBondContact O-N 2.74Å; H491-T494 WeakPolarHBondContact O-CB 3.23Å; H491-T494 PolarHBondContact O-N 2.93Å; H491-T494 VanDerWaalsContact O-N 3.13Å; H491-L495 WeakPolarHBondContact CE1-CD1 3.44Å; H491-L495 WeakPolarHBondContact NE2-CD1 3.29Å; H491-L495 PolarHBondContact O-N 3.07Å
492T72.6Confident73.3Confident48 Ų4847 Ų4729%0.29425%0.253SS..Hα-helixtrans-60.6-45.9176.8-520000111.5I488 E489 T494 L495 D496I488-T492 PolarHBondContact O-N 2.95Å; I488-T492 PolarHBondContact O-OG1 3.06Å; E489-T492 PolarHBondContact O-N 2.72Å; T492-T494 VanDerWaalsContact C-N 3.28Å; T492-T494 PolarHBondContact O-N 3.3Å; T492-L495 PolarHBondContact O-N 2.86Å; T492-D496 PolarHBondContact O-N 3.39Å
493L82.6Confident72.6Confident43 Ų4350.4 Ų50.423%0.22527%0.271CS..Hα-helixtrans-59.3-40.3174176.962.6000111.8V375 L482 L485 E489 H491 D496 V497V375-L493 HydrophobicContact CG2-CD2 4.04Å; V375-L493 HydrophobicContact CG2-CG 4.39Å; L482-L493 HydrophobicContact CD2-CD2 3.43Å; L482-L493 VanDerWaalsContact CD2-CD2 3.43Å; L485-L493 HydrophobicContact CD1-CD2 3.82Å; E489-L493 WeakPolarHBondContact O-CB 3.44Å; E489-L493 PolarHBondContact O-N 2.9Å; H491-L493 PolarHBondContact O-N 2.74Å; L493-D496 PolarHBondContact O-N 3.34Å; L493-V497 HydrophobicContact CD1-CG2 4.07Å; L493-V497 HydrophobicContact CG-CG2 4.44Å; L493-V497 WeakPolarHBondContact O-CB 3.43Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.36Å; L493-V497 PolarHBondContact O-N 3.23Å
494T75.5Confident72.5Confident0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-64.4-42.8178.7-61.80000112L258 L262 F490 H491 T492 L498L258-T494 HydrophobicContact CD1-CG2 3.51Å; L258-T494 HydrophobicContact CD2-CG2 4.01Å; L258-T494 HydrophobicContact CG-CG2 3.57Å; L262-T494 HydrophobicContact CD1-CG2 3.95Å; L262-T494 HydrophobicContact CD2-CG2 3.68Å; L262-T494 HydrophobicContact CG-CG2 3.76Å; F490-T494 WeakPolarHBondContact O-CB 3.31Å; F490-T494 PolarHBondContact O-N 3.41Å; F490-T494 PolarHBondContact O-OG1 3.49Å; H491-T494 WeakPolarHBondContact O-CB 3.23Å; H491-T494 PolarHBondContact O-N 2.93Å; H491-T494 VanDerWaalsContact O-N 3.13Å; T492-T494 VanDerWaalsContact C-N 3.28Å; T492-T494 PolarHBondContact O-N 3.3Å; T494-L498 HydrophobicContact CG2-CD1 4.16Å; T494-L498 WeakPolarHBondContact O-CG 3.37Å; T494-L498 PolarHBondContact O-N 3.12Å
495L70.9Confident71.6Confident28 Ų2844.8 Ų44.815%0.14725%0.246CC..Hα-helixtrans-62.9-50.4174.9-76.1175.8000111.4L262 A272 V273 H491 T492 V497 L498 T499L262-L495 HydrophobicContact CD1-CD2 3.7Å; L262-L495 HydrophobicContact CD1-CG 4.33Å; A272-L495 HydrophobicContact CB-CD1 3.94Å; A272-L495 HydrophobicContact CB-CD2 3.91Å; V273-L495 HydrophobicContact CG2-CD2 4.27Å; H491-L495 WeakPolarHBondContact CE1-CD1 3.44Å; H491-L495 WeakPolarHBondContact NE2-CD1 3.29Å; H491-L495 PolarHBondContact O-N 3.07Å; T492-L495 PolarHBondContact O-N 2.86Å; L495-V497 VanDerWaalsContact C-N 3.29Å; L495-V497 PolarHBondContact O-N 2.63Å; L495-L498 PolarHBondContact O-N 3.46Å; L495-L498 VanDerWaalsContact O-N 3.12Å; L495-T499 PolarHBondContact O-N 3.34Å; L495-T499 PolarHBondContact O-OG1 3.18Å; L495-T499 VanDerWaalsContact O-OG1 3.07Å
496D79.9Confident70.6Confident27 Ų2747.9 Ų47.914%0.14426%0.263CS..Hα-helixtrans-59-40.4-179.8-77.57.2000111.6R357 L360 T492 L493 T499 E500R357-D496 WeakPolarHBondContact CG-OD2 3.44Å; R357-D496 IonicContact CZ-OD1 3.74Å; R357-D496 VanDerWaalsContact CZ-OD1 3.31Å; R357-D496 IonicContact CZ-OD2 3.07Å; R357-D496 VanDerWaalsContact NE-CG 3.29Å; R357-D496 IonicContact NE-OD1 3.74Å; R357-D496 PolarHBondContact NE-OD1 2.83Å; R357-D496 VanDerWaalsContact NE-OD1 3.11Å; R357-D496 IonicContact NE-OD2 3Å; R357-D496 PolarHBondContact NE-OD2 3Å; R357-D496 IonicContact NH2-OD1 3.25Å; R357-D496 PolarHBondContact NH2-OD1 2.79Å; R357-D496 IonicContact NH2-OD2 3.62Å; L360-D496 HydrophobicContact CD2-CB 3.75Å; L360-D496 WeakPolarHBondContact CD2-O 3.38Å; T492-D496 PolarHBondContact O-N 3.39Å; L493-D496 PolarHBondContact O-N 3.34Å; D496-T499 PolarHBondContact O-N 3.48Å; D496-E500 WeakPolarHBondContact O-CB 3.49Å; D496-E500 PolarHBondContact O-N 2.95Å
497V81.3Confident69.6Low1 Ų150 Ų501%0.00628%0.275CS..Hα-helixtrans-64.6-43.3174.71670000112.1L258 L360 F368 L371 C372 L493 L495 E500 A501L258-V497 HydrophobicContact CD2-CG1 4.39Å; L360-V497 HydrophobicContact CD1-CG2 4.16Å; L360-V497 HydrophobicContact CD2-CG2 4.42Å; F368-V497 HydrophobicContact CZ-CG1 4.36Å; F368-V497 WeakPolarHBondContact CZ-O 3.44Å; L371-V497 HydrophobicContact CD2-CG2 3.92Å; L371-V497 HydrophobicContact CG-CG2 4.23Å; C372-V497 WeakPolarHBondContact SG-CG1 3.45Å; L493-V497 HydrophobicContact CD1-CG2 4.07Å; L493-V497 HydrophobicContact CG-CG2 4.44Å; L493-V497 WeakPolarHBondContact O-CB 3.43Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.36Å; L493-V497 PolarHBondContact O-N 3.23Å; L495-V497 VanDerWaalsContact C-N 3.29Å; L495-V497 PolarHBondContact O-N 2.63Å; V497-E500 PolarHBondContact O-N 3.32Å; V497-A501 VanDerWaalsContact O-CB 3.31Å; V497-A501 WeakPolarHBondContact O-CB 3.38Å; V497-A501 PolarHBondContact O-N 3.08Å
498L74.8Confident68.5Low26 Ų2649.7 Ų49.714%0.13627%0.269CS..Hα-helixtrans-68.3-35177.3-72.4172000112.4T255 L258 A259 L262 T494 L495 A501 S502T255-L498 HydrophobicContact CG2-CD2 4.15Å; L258-L498 HydrophobicContact CB-CD2 4.42Å; L258-L498 HydrophobicContact CD2-CD2 4.18Å; L258-L498 HydrophobicContact CD2-CG 4.25Å; L258-L498 HydrophobicContact CG-CD1 4.42Å; L258-L498 HydrophobicContact CG-CD2 4.39Å; L258-L498 HydrophobicContact CG-CG 4.44Å; A259-L498 HydrophobicContact CB-CD1 4.4Å; L262-L498 HydrophobicContact CD1-CD1 3.65Å; L262-L498 HydrophobicContact CG-CD1 4.46Å; T494-L498 HydrophobicContact CG2-CD1 4.16Å; T494-L498 WeakPolarHBondContact O-CG 3.37Å; T494-L498 PolarHBondContact O-N 3.12Å; L495-L498 PolarHBondContact O-N 3.46Å; L495-L498 VanDerWaalsContact O-N 3.12Å; L498-A501 PolarHBondContact O-N 3.4Å; L498-S502 PolarHBondContact O-N 2.97Å; L498-S502 VanDerWaalsContact O-N 3.13Å
499T72.4Confident67.5Low70 Ų7048.1 Ų48.143%0.42926%0.257SS..Hα-helixtrans-66.1-46173.8-58.40000111.4L495 D496 A501 S502 I503L495-T499 PolarHBondContact O-N 3.34Å; L495-T499 PolarHBondContact O-OG1 3.18Å; L495-T499 VanDerWaalsContact O-OG1 3.07Å; D496-T499 PolarHBondContact O-N 3.48Å; T499-A501 VanDerWaalsContact C-N 3.31Å; T499-A501 PolarHBondContact O-N 3.4Å; T499-S502 PolarHBondContact O-N 3.45Å; T499-S502 PolarHBondContact O-OG 3.09Å; T499-I503 HydrophobicContact CG2-CD1 4.02Å; T499-I503 VanDerWaalsContact O-CG1 3.29Å; T499-I503 WeakPolarHBondContact O-CG1 3.3Å; T499-I503 PolarHBondContact O-N 3.09Å; T499-I503 VanDerWaalsContact O-N 3.08Å
500E75.3Confident65.6Low10 Ų1048.8 Ų48.85%0.04726%0.264CS..Hα-helixtrans-67-32.8175.9178.563.2-175.500112.1L360 N361 F368 D496 V497 I503 R504L360-E500 HydrophobicContact CD2-CB 4.13Å; L360-E500 HydrophobicContact CG-CB 4.19Å; L360-E500 HydrophobicContact CG-CG 4.2Å; N361-E500 WeakPolarHBondContact CA-OE1 3.34Å; N361-E500 VanDerWaalsContact CG-OE2 3.24Å; N361-E500 PolarHBondContact ND2-OE2 2.74Å; F368-E500 HydrophobicContact CD2-CG 3.97Å; F368-E500 HydrophobicContact CE2-CB 3.73Å; F368-E500 HydrophobicContact CE2-CG 3.37Å; F368-E500 HydrophobicContact CZ-CB 3.97Å; F368-E500 HydrophobicContact CZ-CG 3.8Å; D496-E500 WeakPolarHBondContact O-CB 3.49Å; D496-E500 PolarHBondContact O-N 2.95Å; V497-E500 PolarHBondContact O-N 3.32Å; E500-I503 PolarHBondContact O-N 3.48Å; E500-R504 WeakPolarHBondContact O-CB 3.43Å; E500-R504 WeakPolarHBondContact O-CG 3.45Å; E500-R504 PolarHBondContact O-N 3.08Å; E500-R504 IonicContact OE1-CZ 3.2Å; E500-R504 IonicContact OE1-NE 2.79Å; E500-R504 PolarHBondContact OE1-NE 3.2Å; E500-R504 IonicContact OE1-NH2 3.37Å; E500-R504 PolarHBondContact OE1-NH2 3.13Å
501A69.4Low63.4Low3 Ų352.4 Ų52.43%0.02529%0.288CS..Hα-helixtrans-64.5-41175.900000112.3T255 F368 V497 L498 T499 R504 L505T255-A501 HydrophobicContact CG2-CB 4.05Å; F368-A501 HydrophobicContact CE1-CB 3.99Å; F368-A501 HydrophobicContact CZ-CB 3.89Å; V497-A501 VanDerWaalsContact O-CB 3.31Å; V497-A501 WeakPolarHBondContact O-CB 3.38Å; V497-A501 PolarHBondContact O-N 3.08Å; L498-A501 PolarHBondContact O-N 3.4Å; T499-A501 VanDerWaalsContact C-N 3.31Å; T499-A501 PolarHBondContact O-N 3.4Å; A501-R504 PolarHBondContact O-N 3.01Å; A501-L505 WeakPolarHBondContact O-CG 3.47Å; A501-L505 PolarHBondContact O-N 2.96Å; A501-L505 VanDerWaalsContact O-N 3.14Å
502S62.9Low61.4Low65 Ų6557.6 Ų57.646%0.45532%0.316SS..Hα-helixtrans-71.3-36.6175.967.60000112.2L498 T499 L505 L506L498-S502 PolarHBondContact O-N 2.97Å; L498-S502 VanDerWaalsContact O-N 3.13Å; T499-S502 PolarHBondContact O-N 3.45Å; T499-S502 PolarHBondContact O-OG 3.09Å; S502-L505 PolarHBondContact O-N 2.94Å; S502-L506 PolarHBondContact O-N 3.1Å
503I66Low59.2Low87 Ų8761.6 Ų61.645%0.44634%0.34SS..Hα-helixtrans-61.4-42.7172.4-69.5167000111.4T499 E500 L505 L506 P507T499-I503 HydrophobicContact CG2-CD1 4.02Å; T499-I503 VanDerWaalsContact O-CG1 3.29Å; T499-I503 WeakPolarHBondContact O-CG1 3.3Å; T499-I503 PolarHBondContact O-N 3.09Å; T499-I503 VanDerWaalsContact O-N 3.08Å; E500-I503 PolarHBondContact O-N 3.48Å; I503-L505 VanDerWaalsContact C-N 3.31Å; I503-L505 PolarHBondContact O-N 3.05Å; I503-L506 PolarHBondContact O-N 3.09Å; I503-P507 WeakPolarHBondContact O-CD 3.49Å
504R68.7Low56.6Low42 Ų4268.9 Ų68.916%0.15837%0.37CS..Hα-helixtrans-68.9-26.8176.9-74.1179.6-170.6-120-5.4114L360 N361 L363 N365 E500 A501L360-R504 PolarHBondContact O-NH2 3.33Å; N361-R504 PolarHBondContact O-NH2 2.7Å; L363-R504 VanDerWaalsContact O-CZ 3.31Å; L363-R504 PolarHBondContact O-NH1 2.93Å; L363-R504 PolarHBondContact O-NH2 3.08Å; N365-R504 PolarHBondContact OD1-NH1 3.35Å; E500-R504 WeakPolarHBondContact O-CB 3.43Å; E500-R504 WeakPolarHBondContact O-CG 3.45Å; E500-R504 PolarHBondContact O-N 3.08Å; E500-R504 IonicContact OE1-CZ 3.2Å; E500-R504 IonicContact OE1-NE 2.79Å; E500-R504 PolarHBondContact OE1-NE 3.2Å; E500-R504 IonicContact OE1-NH2 3.37Å; E500-R504 PolarHBondContact OE1-NH2 3.13Å; A501-R504 PolarHBondContact O-N 3.01Å
505L55.5Low54.2Low13 Ų1375 Ų757%0.06841%0.407CS..Hα-helixtrans-78.8-32.5175.3-79.7174.2000113.1Y251 Y252 A501 S502 I503 P507 L508 F509Y251-L505 HydrophobicContact CD1-CD1 4.13Å; Y251-L505 HydrophobicContact CD1-CD2 3.89Å; Y251-L505 HydrophobicContact CD1-CG 4.38Å; Y251-L505 HydrophobicContact CE1-CD1 3.66Å; Y251-L505 HydrophobicContact CE1-CD2 3.45Å; Y251-L505 VanDerWaalsContact CE1-CD2 3.45Å; Y251-L505 HydrophobicContact CE1-CG 3.64Å; Y251-L505 HydrophobicContact CE2-CD2 4.27Å; Y251-L505 HydrophobicContact CG-CD2 4.49Å; Y252-L505 HydrophobicContact CD1-CD1 4.4Å; Y252-L505 HydrophobicContact CE1-CD1 3.51Å; A501-L505 WeakPolarHBondContact O-CG 3.47Å; A501-L505 PolarHBondContact O-N 2.96Å; A501-L505 VanDerWaalsContact O-N 3.14Å; S502-L505 PolarHBondContact O-N 2.94Å; I503-L505 VanDerWaalsContact C-N 3.31Å; I503-L505 PolarHBondContact O-N 3.05Å; L505-P507 VanDerWaalsContact C-CD 3.49Å; L505-P507 VanDerWaalsContact C-N 3.34Å; L505-L508 HydrophobicContact CD2-CD1 3.9Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 3Å; L505-F509 HydrophobicContact CD2-CE2 4.5Å; L505-F509 WeakPolarHBondContact O-CD2 3.33Å
506L53Low52.1Low111 Ų11180.8 Ų80.858%0.58144%0.437SS*.G310 helixtrans-51.5-43.2-174.9-144.676.6000113.7S502 I503 L508 F509 L510S502-L506 PolarHBondContact O-N 3.1Å; I503-L506 PolarHBondContact O-N 3.09Å; L506-L508 PolarHBondContact O-N 2.83Å; L506-F509 PolarHBondContact O-N 3.44Å; L506-L510 HydrophobicContact CD2-CD1 4.34Å; L506-L510 HydrophobicContact CG-CD1 3.93Å; L506-L510 VanDerWaalsContact O-CD1 3.24Å; L506-L510 WeakPolarHBondContact O-CD1 3.33Å; L506-L510 PolarHBondContact O-N 3.46Å
507P50.3Low49.5Very low97 Ų9786.6 Ų86.663%0.6347%0.468SS*.G310 helixtrans-65-14.5176.3-23.535.5000115.9I503 L505 F509I503-P507 WeakPolarHBondContact O-CD 3.49Å; L505-P507 VanDerWaalsContact C-CD 3.49Å; L505-P507 VanDerWaalsContact C-N 3.34Å; P507-F509 VanDerWaalsContact C-N 3.28Å
508L44.4Very low47.1Very low101 Ų10192.1 Ų92.153%0.52950%0.504SS..G310 helixtrans-80.3-10.6173.4-58.7179.6000112.6L505 L506L505-L508 HydrophobicContact CD2-CD1 3.9Å; L505-L508 WeakPolarHBondContact O-CB 3.38Å; L505-L508 PolarHBondContact O-N 3Å; L506-L508 PolarHBondContact O-N 2.83Å
509F42.1Very low44.7Very low93 Ų9396.7 Ų96.741%0.40853%0.533SS..SBendtrans-127.110.5-174.2-60.7-71.8000114.1L505 L506 P507L505-F509 HydrophobicContact CD2-CE2 4.5Å; L505-F509 WeakPolarHBondContact O-CD2 3.33Å; L506-F509 PolarHBondContact O-N 3.44Å; P507-F509 VanDerWaalsContact C-N 3.28Å
510L34.1Very low42.5Very low118 Ų11898.6 Ų98.662%0.61854%0.544SS*.SBendtrans-86.5146.6174.8-103.375.2000112.3L506L506-L510 HydrophobicContact CD2-CD1 4.34Å; L506-L510 HydrophobicContact CG-CD1 3.93Å; L506-L510 VanDerWaalsContact O-CD1 3.24Å; L506-L510 WeakPolarHBondContact O-CD1 3.33Å; L506-L510 PolarHBondContact O-N 3.46Å
511P31.3Very low40.1Very low79 Ų79104.5 Ų104.551%0.51358%0.582SS.*  trans-73.7145.5-167.328.5-35.4000113.9T513P511-T513 PolarHBondContact O-N 3.44Å; P511-T513 PolarHBondContact O-OG1 3.26Å
512L27.1Very low38Very low148 Ų148108.4 Ų108.478%0.77561%0.614SS**  trans-69.966.9-179-96.1153.6000113.1K514L512-K514 PolarHBondContact O-N 2.59Å
513T26.5Very low36.2Very low131 Ų131111.5 Ų111.580%0.80463%0.629SS**  trans-75.557.4174.342.50000112.2P511P511-T513 PolarHBondContact O-N 3.44Å; P511-T513 PolarHBondContact O-OG1 3.26Å
514K26.7Very low34.4Very low196 Ų196113.8 Ų113.885%0.85265%0.648SS**  trans-147.735.2170-122.6171.5-171.6178.40114.8L512L512-K514 PolarHBondContact O-N 2.59Å
515V25.7Very low32.2Very low128 Ų128115.9 Ų115.978%0.77667%0.674SS**  trans-11891.2161.5-175.50000108.9
516I27.6Very low31.1Very low151 Ų151121.3 Ų121.377%0.77471%0.71SS**  trans-132.487.1161.1-58.4-179.2000106.6
517N24.7Very low29.8Very low148 Ų148119.4 Ų119.479%0.79171%0.71SS**  trans-112.8101.3165.6-84.3-2.8000107.9T519N517-T519 PolarHBondContact O-N 3.35Å
518P30Very low28.7Very low117 Ų117120.9 Ų120.976%0.7672%0.718SS**  trans-91.286.6172.233.6-27.9000110
519T25.5Very low27.8Very low122 Ų122121.7 Ų121.775%0.74873%0.727SS**  trans-66.8146.7159.2-0.80000108.7N517N517-T519 PolarHBondContact O-N 3.35Å
520T26.2Very low27.1Very low110 Ų110122.9 Ų122.968%0.67574%0.742SS**  cis-157.1167.613.7-36.60000110.8
521T25.4Very low26.7Very low135 Ų135123.5 Ų123.583%0.82875%0.75SS**  trans73.8145.8165.273.40000116.9
522A24.7Very low26.3Very low84 Ų84128.5 Ų128.569%0.69477%0.767SS**  cis-143.8153.25.200000113.2
523V24.6Very low26.1Very low130 Ų130127.8 Ų127.879%0.78877%0.768SS**  trans37115.9142.2-175.60000117.2
524T28.1Very low25.9Very low136 Ų136126.2 Ų126.283%0.83476%0.763SS**  -163.9162.362.7-28.80000112
525A23.3Very low25.8Very low85 Ų85121.6 Ų121.670%0.70276%0.755SS**  trans-120.9-174.9171.100000109.9
526P31.5Very low25.9Very low128 Ų128125.7 Ų125.783%0.83176%0.763SS**  cis-121.1-139.8-3.327.2-0.1000110.1
527A26.6Very low25.8Very low70 Ų70128.1 Ų128.158%0.57977%0.767SS**  cis-165.3163.25.100000113.1
528T25.9Very low25.7Very low129 Ų129126.1 Ų126.179%0.79177%0.765SS**  trans63.9147.7152.448.30000119.3
529T27.4Very low25.6Very low117 Ų117132.4 Ų132.472%0.71877%0.773SS**  cis-155.9163.710.6-10.50000112.7
530T27.4Very low25.4Very low119 Ų119136.3 Ų136.373%0.7378%0.78SS**  trans62122.6157.146.10000119.2
531V23.8Very low25.3Very low130 Ų130135.1 Ų135.179%0.78878%0.781SS**  69.4125.268.6175.60000110.6
532E23.8Very low25.3Very low184 Ų184138 Ų13886%0.8679%0.785SS**  -148.6-171.453.3-153.1166.3-130.200115.3
533V23.4Very low25.2Very low134 Ų134143.5 Ų143.581%0.81280%0.796SS**  trans-133.8152.5-166.8179.70000112.3
534S22.3Very low25.2Very low98 Ų98142.7 Ų142.769%0.68580%0.796SS**  trans118.2101.2143.3-1530000120
535S24.2Very low24.9Very low99 Ų99147.1 Ų147.169%0.69280%0.799SS**  46140.7126.2800000123.9
536K27.8Very low24.8Very low214 Ų214148.6 Ų148.693%0.9380%0.8SS**  trans-155.3168.5139.1-113.4153.8-168.7163.70112.6
537K24.3Very low24.4Very low202 Ų202149 Ų14988%0.87880%0.795SS**  trans-120146.5-155.3-82.3-178.2173.4177.60115.4
538S23Very low24.3Very low105 Ų105157.1 Ų157.173%0.73481%0.812SS**  trans69.7133.8137-167.50000121.2
539R27.5Very low24.2Very low249 Ų249160.3 Ų160.394%0.9482%0.816SS**  -155.4176.7115.8-109.4169-173.7-170.90.9112.9
540K21.7Very low24.1Very low205 Ų205160.6 Ų160.689%0.89181%0.813SS**  trans-100.9146-162.6-52.4173.1179.4-179.60113.5
541A25.3Very low24.1Very low84 Ų84161.1 Ų161.169%0.69482%0.816SS**  trans-152.6124.714600000106.6
542Q24.1Very low24.2Very low195 Ų195160.4 Ų160.491%0.91181%0.808SS**  48.892.488.6-77-171.8-40.900113.8
543H23.9Very low24.5Very low201 Ų201160.9 Ų160.993%0.93181%0.807SS**  trans-86.3120.7160.9-94.8-67.2000110
544S23.3Very low24.7Very low113 Ų113163.7 Ų163.779%0.7980%0.803SS**  trans-117.3165156.5-169.10000108.3
545Y21.9Very low25.2Very low228 Ų228165.9 Ų165.989%0.89480%0.802SS**SBendtrans-101.189.5-165.3-172.1-87.5000112.2
546T22.1Very low25.6Very low116 Ų116169.3 Ų169.371%0.71281%0.808SS**  trans-158.4169158.943.20000110.9
547D22.9Very low25.7Very low138 Ų138164 Ų16474%0.73879%0.789SS**  trans66.391.1163.3-52.7-39.7000118.3
548Y24.3Very low25.9Very low240 Ų240158.8 Ų158.894%0.94177%0.77SS**  trans-11539.7156.6-121.2-78.2000112.8
549F23.2Very low26.3Very low196 Ų196161.2 Ų161.286%0.8677%0.77SS**  trans-90.896.5155.4-96-79.1000109.1
550N26.8Very low26.5Very low123 Ų123157.2 Ų157.266%0.65876%0.76SS**  trans-145.7119.9151.7-107.4-47.2000108.8D552N550-D552 HydrophobicContact CB-CB 4.45Å; N550-D552 PolarHBondContact O-N 3.15Å
551T26.1Very low26.9Very low129 Ų129151.6 Ų151.679%0.79174%0.739SS**  51.320.659.245.50000116.3
552D27.3Very low27.2Very low115 Ų115154 Ų15462%0.61574%0.738SS**  trans-131.735174-140.6-11.6000115.1N550N550-D552 HydrophobicContact CB-CB 4.45Å; N550-D552 PolarHBondContact O-N 3.15Å
553K29.5Very low27.6Very low195 Ų195149.7 Ų149.785%0.84873%0.73SS**SBendtrans-131.616.5166.7-72.1-167.5174.7-1780113.8
554R28Very low27.8Very low192 Ų192151.1 Ų151.173%0.72573%0.727SS**SBendtrans-107.1-16178.6-111.3-174.3-179.2-1591.8114.8
555Q31Very low27.9Very low145 Ų145155.8 Ų155.868%0.67873%0.727SS**Hα-helixtrans-82.7-45.2177.9-73.4-177.8-18.800112.5L557 N558 E559Q555-L557 PolarHBondContact O-N 2.91Å; Q555-N558 PolarHBondContact O-N 3.46Å; Q555-E559 PolarHBondContact O-N 3.3Å
556Q32.8Very low28.1Very low171 Ų171153.3 Ų153.380%0.79973%0.73SS**Hα-helixtrans-64.4-11.6178.1-68.8-177.2-10.200114.9
557L29.9Very low28.4Very low102 Ų102150.9 Ų150.953%0.53473%0.728SS.*Hα-helixtrans-94.1-25.8171-171.659000112.7Q555 I561Q555-L557 PolarHBondContact O-N 2.91Å; L557-I561 HydrophobicContact CD1-CD1 4.01Å; L557-I561 HydrophobicContact CG-CD1 3.91Å; L557-I561 WeakPolarHBondContact O-CG1 3.25Å; L557-I561 PolarHBondContact O-N 3.22Å
558N28.7Very low28.7Very low93 Ų93150.4 Ų150.450%0.49773%0.732SS.*Hα-helixtrans-75-39.2179.4-83.7-0.9000112.2Q555 F560 I561 I562Q555-N558 PolarHBondContact O-N 3.46Å; N558-F560 VanDerWaalsContact C-N 3.29Å; N558-F560 PolarHBondContact O-N 2.83Å; N558-I561 PolarHBondContact O-N 3.46Å; N558-I562 VanDerWaalsContact O-CG1 3.32Å; N558-I562 WeakPolarHBondContact O-CG1 3.41Å; N558-I562 PolarHBondContact O-N 3.42Å
559E32.1Very low28.7Very low155 Ų155144.6 Ų144.672%0.72472%0.717SS**Hα-helixtrans-61.6-37.7175.6-67.5-165.9129.400112.1Q555 I561Q555-E559 PolarHBondContact O-N 3.3Å; E559-I561 VanDerWaalsContact C-N 3.32Å; E559-I561 PolarHBondContact O-N 3.31Å
560F30.9Very low29Very low165 Ų165139.1 Ų139.172%0.72470%0.701SS**Hα-helixtrans-72.3-22.6179.1-156.4-98.9000113.7N558N558-F560 VanDerWaalsContact C-N 3.29Å; N558-F560 PolarHBondContact O-N 2.83Å
561I31.4Very low29Very low88 Ų88138.6 Ų138.645%0.45171%0.707SS.*Hα-helixtrans-95.5-28.1-177.9-69.5176.2000112.2L557 N558 E559L557-I561 HydrophobicContact CD1-CD1 4.01Å; L557-I561 HydrophobicContact CG-CD1 3.91Å; L557-I561 WeakPolarHBondContact O-CG1 3.25Å; L557-I561 PolarHBondContact O-N 3.22Å; N558-I561 PolarHBondContact O-N 3.46Å; E559-I561 VanDerWaalsContact C-N 3.32Å; E559-I561 PolarHBondContact O-N 3.31Å
562I31.5Very low28.9Very low133 Ų133139.3 Ų139.368%0.68271%0.705SS**Hα-helixtrans-72.2-35.1177-69.7168.7000111.2N558 R564N558-I562 VanDerWaalsContact O-CG1 3.32Å; N558-I562 WeakPolarHBondContact O-CG1 3.41Å; N558-I562 PolarHBondContact O-N 3.42Å; I562-R564 PolarHBondContact O-N 3.34Å
563S31.7Very low29Very low105 Ų105139.6 Ų139.673%0.73471%0.713SS**THydrogen-bonded Turntrans-73.89.9-177.5-166.90000116
564R29.1Very low28.7Very low232 Ų232134.9 Ų134.988%0.87571%0.705SS**THydrogen-bonded Turntrans-130.810.4176.7-88-166.5175.9-157.50.1115.8I562I562-R564 PolarHBondContact O-N 3.34Å
565R24.6Very low28.8Very low210 Ų210130.8 Ų130.879%0.79270%0.703SS**SBendtrans-117.661.5174.5-91.1-173.9165.5138.9-6112.5
566N26Very low28.6Very low176 Ų176132.5 Ų132.594%0.94171%0.708SS**  trans-156.2108.6158.1-97.8-33.7000110.4
567G29Very low28.5Very low65 Ų65130 Ų13067%0.6771%0.705SS**  trans-170101.817900000110.1
568P28.2Very low28.3Very low129 Ų129133 Ų13384%0.83871%0.713SS**  trans-87.4135.4-172.832.7-33.7000112.8
569L25Very low28.4Very low118 Ų118133.7 Ų133.762%0.61872%0.717SS**  trans-145.6161168.9-88.4102.1000108.8L318L318-L569 HydrophobicContact CD2-CB 3.67Å; L318-L569 WeakPolarHBondContact CD2-O 3.49Å
570P30.4Very low28.2Very low81 Ų81133.2 Ų133.253%0.52672%0.72SS.*  -133.3-163.8-59.441.5-24.6000109.6L318L318-P570 VanDerWaalsContact CD1-CD 3.41Å; L318-P570 HydrophobicContact CD1-CG 4.27Å; L318-P570 VanDerWaalsContact CD2-CD 3.44Å
571S25.1Very low28Very low111 Ų111133.7 Ų133.778%0.77672%0.724SS**  trans-150.5115.2155.359.40000111.3
572L25Very low27.9Very low144 Ų144136.4 Ų136.475%0.75474%0.738SS**  trans-79154.6160.5-98.382.6000109.6
573P28.6Very low27.7Very low121 Ų121136.6 Ų136.679%0.78674%0.74SS**  -129.6156.599.736.9-30.5000115
574S22.8Very low27.6Very low96 Ų96138.7 Ų138.767%0.67174%0.743SS**  trans-65.8-176.9173.7-35.80000112.4
575P31.7Very low27.4Very low107 Ų107133.9 Ų133.970%0.69574%0.739SS**  cis-146.8178.41033.7-9000118.9
576K27Very low27.7Very low181 Ų181130.7 Ų130.779%0.78773%0.733SS**  trans116117.9144.6-65.1-174.2-178.5177.50119.3
577T28.9Very low27.8Very low119 Ų119131.9 Ų131.973%0.7373%0.725SS**  trans68.4104136.856.30000122.2
578K27.6Very low27.6Very low163 Ų163134.6 Ų134.671%0.70972%0.723SS**  101.2131.2109.5-83.8-174.6136.3-700121.3
579D28.8Very low27.6Very low108 Ų108136 Ų13658%0.57872%0.718SS**  trans74.7107.2140.5-52.2-9.7000121.6
580N29.1Very low27.6Very low145 Ų145134.7 Ų134.778%0.77572%0.719SS**  71.9106.6128.7-56.9-12.4000123.2
581H27.3Very low27.5Very low175 Ų175136.3 Ų136.381%0.8173%0.728SS**  63.3141.7117.6-115.5-48.9000123.4
582I28.3Very low27.6Very low145 Ų145137.1 Ų137.174%0.74472%0.723SS**  trans94154.7156.2-61.9165.8000116.3
583D26.9Very low27.8Very low138 Ų138137.3 Ų137.374%0.73873%0.725SS**  trans-105.1-151.3-147.8-51.5-97.2000115.1
584D29.8Very low27.8Very low148 Ų148135.5 Ų135.579%0.79172%0.715SS**  trans74.5123.2-179.3-60.2-34.2000116.6
585V26.3Very low28.1Very low131 Ų131138.5 Ų138.579%0.79472%0.724SS**  cis90.4103.637.3176.30000113.7
586E29.2Very low27.9Very low143 Ų143137.3 Ų137.367%0.66873%0.73SS**  trans-173.3135.8137.6-104.2-159.9155.100109.9
587R28.4Very low27.8Very low202 Ų202134.3 Ų134.376%0.76273%0.732SS**  58.5149.198.4-70.8-171.6175.9154-10.8116.2
588L24.3Very low27.8Very low121 Ų121134.3 Ų134.363%0.63474%0.737SS**  cis-168.7171.4-18.8-115173.8000107.9
589H30.1Very low27.8Very low159 Ų159131.9 Ų131.974%0.73674%0.741SS**  trans68.1162.9163.1-60-56.5000118.5
590S23.9Very low27.9Very low90 Ų90132 Ų13263%0.62975%0.748SS**  cis-173.2169.9-42.4-91.20000109.3
591T29.2Very low27.6Very low116 Ų116131.5 Ų131.571%0.71275%0.754SS**  trans74.6110.3159.956.50000122
592N27.4Very low27.8Very low128 Ų128126.5 Ų126.568%0.68475%0.75SS**  74.4121.8116.7-56.5-0.6000123
593N28.6Very low27.9Very low147 Ų147126.9 Ų126.979%0.78675%0.754SS**  trans67151.3132.2-56.75.1000120.5
594S28.6Very low28Very low84 Ų84126.9 Ų126.959%0.58775%0.753SS**  cis-167.1164.7-26.857.90000109.7
595D28.1Very low28.1Very low159 Ų159124.8 Ų124.885%0.8574%0.741SS**  trans65.2162159.1-47-53.5000119.9
596G28.1Very low28.3Very low81 Ų81125.6 Ų125.684%0.83573%0.734SS**  trans117.378.7160.600000117.5
597S25.4Very low28.2Very low118 Ų118126 Ų12683%0.82574%0.736SS**  trans-79.7130.3175.256.30000114.6
598S29.3Very low28Very low119 Ų119122.8 Ų122.883%0.83273%0.733SS**  trans-175.2138137.553.70000114.5
599S26.1Very low28.1Very low113 Ų113123.7 Ų123.779%0.7974%0.737SS**  trans-90.4172.1157.4-54.10000108.9
600P32.3Very low27.8Very low111 Ų111123.2 Ų123.272%0.72174%0.74SS**  cis-147.1178.121.644.5-24.5000118.9
601C23.1Very low27.8Very low133 Ų133127.6 Ų127.690%0.89975%0.751SS**  trans48.5126.2148.6-66.90000122.4
602G29.7Very low27.6Very low71 Ų71127.2 Ų127.273%0.73275%0.752SS**  trans170.395.4153.900000116.1
603N30.8Very low27.4Very low153 Ų153128.3 Ų128.382%0.81876%0.757SS**  trans13.9140.7144.1-61.5-17.2000119
604L30.3Very low27.2Very low137 Ų137127.8 Ų127.872%0.71776%0.755SS**  cis-163.5171.316.3-141.677.1000105.8
605D30.3Very low27Very low104 Ų104130.4 Ų130.456%0.55676%0.761SS**  cis-163.5159.71-146.726.3000104.4
606K31Very low26.7Very low149 Ų149130 Ų13065%0.64876%0.758SS**  cis-162.5177.5-2.2-139.3178.1-151.370.80105.1
607Q27.1Very low26.5Very low150 Ų150133.5 Ų133.570%0.70175%0.752SS**  cis-156.7158.13.5-161.4-178.2-7.600108.7
608L25Very low26.5Very low135 Ų135134.6 Ų134.671%0.70775%0.745SS**  trans75.4121.8154.6-87.9158.1000122
609I25.7Very low26.3Very low140 Ų140133.6 Ų133.672%0.71873%0.733SS**  trans106.7107.5146.2-64.4168.3000119.3
610N25Very low26.4Very low149 Ų149135.6 Ų135.680%0.79774%0.735SS**  trans59.5101146.5-62.19.5000123.1
611E23.6Very low26.1Very low183 Ų183137.8 Ų137.886%0.85574%0.739SS**  trans-150.2161.8138.1-89.3-157.8-166.900106.6
612C24.3Very low26.2Very low108 Ų108136.4 Ų136.473%0.7373%0.73SS**  cis-153.5-169.9-6.5-1240000109.2
613N24.1Very low26.2Very low150 Ų150140.7 Ų140.780%0.80273%0.731SS**  trans-79.3158.4176.5-92.1-0.3000114.9
614D23.9Very low26.1Very low137 Ų137139.8 Ų139.873%0.73373%0.727SS**  trans90.7131.8142.7-81.4-36.9000124.3
615I24Very low25.8Very low139 Ų139141.1 Ų141.171%0.71373%0.733SS**  trans91.594.9144.1-69.4164.1000121.3
616L22.6Very low26.1Very low149 Ų149140.5 Ų140.578%0.7874%0.735SS**  72.8147127.8-69.7-178.4000124.9
617Q23.8Very low26Very low156 Ų156139.6 Ų139.673%0.72974%0.737SS**  trans66150.4157.6-73.7-172.7-58.300117.3
618E25.2Very low26.2Very low141 Ų141139.7 Ų139.766%0.65974%0.737SS**  cis-171.7-177.5-18.7-117179.2-133.800106.7
619T25.4Very low26.4Very low97 Ų97140.8 Ų140.860%0.59574%0.739SS**  cis-156.9170.92.2-12.60000109.4
620L26.3Very low26.6Very low156 Ų156142.1 Ų142.182%0.81774%0.742SS**  trans68.8151.7152.1-66.9155.5000116.8
621I27.8Very low26.7Very low157 Ų157142 Ų14281%0.80574%0.741SS**  cis-144.2157.213.3-64.3178.7000106.3
622S24Very low26.8Very low104 Ų104142.4 Ų142.473%0.72773%0.734SS**  cis-178.8-162.9-25.2-168.70000107.2
623E29.2Very low27Very low160 Ų160144.8 Ų144.875%0.74874%0.739SS**  trans69.1135.2170.4-65-167-138.400117.3
624N30Very low27.1Very low135 Ų135142.4 Ų142.472%0.72272%0.723SS**  cis-148.1167.6-3.7-93.8-35.9000112.1
625L23.2Very low27.3Very low164 Ų164142.9 Ų142.986%0.85973%0.725SS**  trans-96.4-172176-122.466.2000110.8
626P36.2Very low27.5Very low91 Ų91141 Ų14159%0.59172%0.724SS**  cis-136-175.9-16.227.3-2.2000114.7
627D29.6Very low27.8Very low131 Ų131138.8 Ų138.870%0.70172%0.721SS**  155.3134.9114.4-87-27.6000117.4
628H30.8Very low27.8Very low151 Ų151137.1 Ų137.170%0.69973%0.726SS**  trans53.1142.9153.4-74.8-105.4000121.2
629E30.2Very low28.2Very low159 Ų159135.9 Ų135.974%0.74373%0.73SS**  cis-152.8-178.20.4-149.7163.3-118.600113.5
630H28.9Very low28.7Very low167 Ų167136.7 Ų136.777%0.77374%0.737SS**  trans-65.2169.2-175.1-71.5-131000115.4
631L28.2Very low29.2Very low148 Ų148134.4 Ų134.478%0.77573%0.732SS**  cis-136.2163.413.5-69.1162.3000109.1
632R24.1Very low29.6Very low190 Ų190132.1 Ų132.172%0.71773%0.727SS**  cis69.995.61.9-161.5178.4-178.3178.50.3121.1E634R632-E634 IonicContact CZ-OE1 3.55Å; R632-E634 IonicContact NE-OE1 3.52Å; R632-E634 PolarHBondContact NE-OE1 2.89Å; R632-E634 IonicContact NH2-OE1 2.76Å; R632-E634 PolarHBondContact NH2-OE1 3.15Å
633L29.4Very low29.7Very low158 Ų158133 Ų13383%0.82773%0.728SS**  -144.6119.2127.5-78.6-172.5000108.6
634E26.4Very low29.5Very low101 Ų101132 Ų13247%0.47273%0.728SS.*  66.913079.2-60.6-65.1139.100111.6R632R632-E634 IonicContact CZ-OE1 3.55Å; R632-E634 IonicContact NE-OE1 3.52Å; R632-E634 PolarHBondContact NE-OE1 2.89Å; R632-E634 IonicContact NH2-OE1 2.76Å; R632-E634 PolarHBondContact NH2-OE1 3.15Å
635L28.8Very low29.4Very low147 Ų147130.9 Ų130.977%0.7773%0.726SS**  cis-158.517910.7-97.7159.1000107.4
636S26.7Very low29.5Very low100 Ų100132.2 Ų132.270%0.69972%0.724SS**  cis-172.8175.9-3.743.90000108.4
637S29.3Very low29.1Very low101 Ų101132.5 Ų132.571%0.70673%0.729SS**  -169.1129.7-50.358.80000112.3
638S25.1Very low29Very low121 Ų121135 Ų13585%0.84674%0.736SS**  trans71.9163.9150.1-73.70000122.3
639P32.7Very low28.8Very low115 Ų115134.3 Ų134.375%0.74774%0.736SS**  trans-134.2-137.3-152.138.4-14.1000114.1
640P35.5Very low28.5Very low114 Ų114133.7 Ų133.774%0.7474%0.737SS**  -109.7-105.4-64.321.4-0.3000117.9
641P36.7Very low28.3Very low109 Ų109132.5 Ų132.571%0.70874%0.736SS**  -129-145.1-128.545.4-24.2000113
642P37.1Very low28.3Very low108 Ų108134.8 Ų134.870%0.70174%0.74SS**  cis-139-166.7-14.932.2-6.8000116.6
643V25.7Very low28.5Very low122 Ų122133.1 Ų133.174%0.73974%0.737SS**  trans80.4132.8153.4-124.30000125
644N25.4Very low28.4Very low139 Ų139134.4 Ų134.474%0.74374%0.737SS**  trans97.2104.9134.5-100.88.4000125.1
645V27.5Very low28.4Very low113 Ų113132.9 Ų132.969%0.68575%0.748SS**  89.7119.8115.4155.70000123.7
646K26.1Very low28.4Very low191 Ų191137.3 Ų137.383%0.8375%0.754SS**  trans78.9124.3146-85178-177.7-177.60124.6
647S27.2Very low28.5Very low97 Ų97136.6 Ų136.668%0.67875%0.749SS**  trans59.1104.8135.164.20000123.6
648E26.5Very low28.6Very low184 Ų184142.3 Ų142.386%0.8676%0.756SS**  75.7162.7109.4-149.7167-130.500121.8
649I26.5Very low28.8Very low137 Ų137141.3 Ų141.370%0.70374%0.741SS**  trans90.393.8164.7-54-172.7000119.6
650L25.4Very low28.6Very low146 Ų146143 Ų14376%0.76474%0.744SS**  trans63.1123.4132.5-52.3179.9000125.1
651L24Very low28.8Very low141 Ų141143.5 Ų143.574%0.73875%0.747SS**  trans47.2114135.3-80.689.8000122.3
652K28Very low28.4Very low197 Ų197143.4 Ų143.486%0.85774%0.744SS**  177.4166.1100.4-93.4156.1-174.3169.90110.1
653K28.4Very low28.2Very low154 Ų154146.3 Ų146.367%0.6774%0.742SS**  cis177.8149.2-35.8-176.2173.1178.6174.20105.5
654F27.6Very low28.4Very low186 Ų186147.7 Ų147.782%0.81675%0.745SS**  trans71.3137.3-179.5-46.7-78.8000115.7
655G26.6Very low28.6Very low69 Ų69146.7 Ų146.771%0.71174%0.736SS**  cis130.7122.3-2200000116.9
656R28.9Very low28.7Very low239 Ų239148 Ų14890%0.90274%0.744SS**  trans-176.7132151.8-94.9152.7-165.9-86.81.2106.2
657S29.2Very low28.9Very low85 Ų85143.3 Ų143.359%0.59474%0.741SS**  68.9132.856.6-169.80000111.2D659S657-D659 PolarHBondContact OG-OD1 3.03Å; S657-D659 PolarHBondContact OG-OD2 3.06Å
658R30.6Very low29.1Very low222 Ų222141.9 Ų141.984%0.83874%0.741SS**  cis-118.3-179.417.6-49.3-151.468.6-165.2-9.8114.1
659D29.9Very low29.1Very low100 Ų100142.1 Ų142.154%0.53574%0.743SS.*  -172.3146.8-55.6-73.5-23.5000106.9S657S657-D659 PolarHBondContact OG-OD1 3.03Å; S657-D659 PolarHBondContact OG-OD2 3.06Å
660D28.1Very low29.3Very low150 Ų150138.8 Ų138.880%0.80274%0.742SS**  trans-80158.5171.1-85.4-52000113
661P39.9Very low29.5Very low125 Ų125138.6 Ų138.681%0.81274%0.742SS**  trans-97.5110.5163.134.5-26.2000112.2
662V28.9Very low29.8Very low107 Ų107138.7 Ų138.765%0.64874%0.742SS**  trans-107.9174.2171.7-174.10000109.4
663Y31Very low29.9Very low168 Ų168136.7 Ų136.766%0.65974%0.741SS**  trans100.5139.2167.7-70.7-87.5000115.8Q665Y663-Q665 HydrophobicContact CD1-CB 4.27Å; Y663-Q665 HydrophobicContact CD1-CG 4.34Å; Y663-Q665 HydrophobicContact CE1-CB 4Å; Y663-Q665 HydrophobicContact CE1-CG 3.97Å; Y663-Q665 VanDerWaalsContact CE1-OE1 3.24Å; Y663-Q665 PolarHBondContact OH-OE1 3.17Å
664D30.3Very low29.8Very low151 Ų151137.5 Ų137.581%0.80775%0.747SS**  cis-115.7153.629.8-129.1-18.7000119.6
665Q29.6Very low29.8Very low119 Ų119134.3 Ų134.356%0.55674%0.738SS**  trans-131.3150.2169.9-64.5178.5-62.100109.3Y663Y663-Q665 HydrophobicContact CD1-CB 4.27Å; Y663-Q665 HydrophobicContact CD1-CG 4.34Å; Y663-Q665 HydrophobicContact CE1-CB 4Å; Y663-Q665 HydrophobicContact CE1-CG 3.97Å; Y663-Q665 VanDerWaalsContact CE1-OE1 3.24Å; Y663-Q665 PolarHBondContact OH-OE1 3.17Å
666V30.9Very low30Very low139 Ų139138 Ų13884%0.84275%0.747SS**  trans-14393.3145.8-174.20000105.5
667A30.3Very low29.9Very low94 Ų94133.6 Ų133.678%0.77774%0.741SS**  72.6135.883.100000113.3
668G30.7Very low29.8Very low66 Ų66134 Ų13468%0.6874%0.743SS**  cis-141.4160.9-5.300000109.9
669E26.8Very low29.7Very low190 Ų190130.2 Ų130.289%0.88874%0.74SS**  64.6129.668.4-72.7-174.1-168.700114.7
670G31.5Very low29.7Very low66 Ų66131.3 Ų131.368%0.6875%0.745SS**  cis179.7177.8-2.400000116.9
671D28.4Very low29.7Very low142 Ų142131.9 Ų131.976%0.75974%0.742SS**  trans40.8130.9145.5-48.4-5.9000123
672L30.7Very low29Very low143 Ų143131.1 Ų131.175%0.74974%0.736SS**  170.7117.394.2-88.5178.9000115.8
673N29.2Very low29Very low156 Ų156132.3 Ų132.383%0.83474%0.743SS**  trans50.3160.4136-64-5.2000124.9
674E26.5Very low28.8Very low170 Ų170129.7 Ų129.779%0.79475%0.745SS**  trans-99.1171.4-166.1-36.817011200117.6
675N28.5Very low28.9Very low119 Ų119127.3 Ų127.364%0.63674%0.74SS**  trans70110.5138.7-78-45.8000122
676T29.9Very low28.7Very low146 Ų146128.3 Ų128.390%0.89675%0.749SS**  -165.1176.1114.94.20000114.5
677L28.1Very low28.7Very low148 Ų148128.9 Ų128.978%0.77574%0.742SS**  trans-98.1147.4-157.6-91.673.1000118.1
678S26.1Very low28.7Very low92 Ų92130.4 Ų130.464%0.64374%0.737SS**  trans13.3138.1144.266.30000123.4
679N29Very low28.5Very low143 Ų143134 Ų13477%0.76574%0.739SS**  trans173.1152.7135.3-90.3-13.5000110.2
680I28.7Very low28.4Very low123 Ų123132.5 Ų132.563%0.63174%0.736SS**  cis-163.4142-15.6-118.3170.5000108.9
681Q28.7Very low28Very low162 Ų162133.6 Ų133.676%0.75773%0.734SS**  trans37.3164.2147.4-55.6-177.8-70.300124
682T25.1Very low27.9Very low109 Ų109135.1 Ų135.167%0.66974%0.738SS**  cis-172.9143-33.938.90000109.2
683V28.4Very low27.6Very low132 Ų132135.3 Ų135.380%0.874%0.74SS**  trans-152.597154.4-175.30000106.2
684T28.1Very low27.6Very low114 Ų114136.2 Ų136.270%0.69974%0.743SS**  49.9137.693.362.40000114.7
685S31.3Very low27.6Very low100 Ų100136.6 Ų136.670%0.69975%0.745SS**  cis178.31552.9460000107.1
686D26.5Very low27.5Very low141 Ų141139.4 Ų139.475%0.75476%0.755SS**  cis-164.1-162.93.5-136.4-84.4000111.9
687H30.7Very low27.3Very low151 Ų151137.1 Ų137.170%0.69974%0.744SS**  trans112.8119.5148.7-78.4-70.6000122
688N29.5Very low27.1Very low126 Ų126134.9 Ų134.967%0.67474%0.741SS**  trans72.2130.9147.3-56.5-4000118.4
689I26.9Very low27.1Very low141 Ų141137.5 Ų137.572%0.72375%0.747SS**  cis101102.127.8-66.9171.3000113.4
690L23.8Very low27Very low158 Ų158137.7 Ų137.783%0.82775%0.748SS**  trans73.7138.4146.2-71173.2000123.8
691S23.4Very low27Very low90 Ų90137.1 Ų137.163%0.62975%0.746SS**  trans95.3117.4136.7-73.50000122.2
692M25.8Very low27Very low173 Ų173137 Ų13785%0.85275%0.746SS**  67.1156.7126.4-66175.566.800121
693D26.4Very low27.1Very low148 Ų148140.3 Ų140.379%0.79175%0.754SS**  trans-72.5155.8-172-40.7-92.5000113.6
694I28.6Very low27.1Very low174 Ų174142.1 Ų142.189%0.89276%0.759SS**  trans-161.1156.9137.7-104.9156.9000109
695E25.7Very low27Very low178 Ų178144.6 Ų144.683%0.83276%0.764SS**  trans-82.3161.5-166-62.1170.9128.100115.4
696E26.1Very low26.7Very low179 Ų179145.8 Ų145.884%0.83677%0.768SS**  trans34.9105.8147.1-64.8-141133.700122.3
697S25.6Very low27.1Very low97 Ų97148.3 Ų148.368%0.67878%0.775SS**  100.7162112.784.60000120.5
698S24.9Very low26.8Very low102 Ų102147.1 Ų147.171%0.71378%0.784SS**  trans72128.6155.2-55.20000115.7
699L25.8Very low26.8Very low146 Ų146146 Ų14676%0.76479%0.786SS**  cis-166.315341-117.7137000112.9
700N27.3Very low26.7Very low148 Ų148146.7 Ų146.779%0.79179%0.79SS**  trans-162.1139.1131.7-105.9-26000107.3
701N28Very low26.9Very low111 Ų111147.9 Ų147.959%0.59479%0.789SS**SBendcis-131.1160.324.7-81.4-41.9000114.2
702Q29.6Very low27Very low158 Ų158149.7 Ų149.774%0.73879%0.792SS**  trans44.8110.1141.2-64.3168.2-16.600118.8
703Q26.5Very low27.2Very low180 Ų180149.5 Ų149.584%0.84179%0.788SS**  64.491.274.4-68.8-172-2400115.9
704N28.6Very low27.2Very low170 Ų170147.8 Ų147.891%0.90979%0.788SS**  -165157.5126.7-105.7-26.7000111
705M26.4Very low27.1Very low165 Ų165146.3 Ų146.381%0.81378%0.782SS**  trans-137.9138-173.1-83.6-91.3-16400110.9
706T25Very low27.2Very low125 Ų125142.7 Ų142.777%0.76778%0.783SS**  trans58.9160.4160.549.50000118
707E34.9Very low27.1Very low194 Ų194138.7 Ų138.791%0.90777%0.774SS**SBendtrans59.195-175.7-55.6-173.7-178.300113.7
708S24Very low27.3Very low126 Ų126141.3 Ų141.388%0.88178%0.78SS**SBendcis-143.8173.21950.10000112.2
709S30Very low27.4Very low104 Ų104142.5 Ų142.573%0.72778%0.783SS**  -136.4138.8-128.9540000118
710L25.5Very low27.6Very low155 Ų155139.8 Ų139.881%0.81278%0.781SS**  trans70.5114.1156.1-66.4166.7000120.4
711F26.9Very low27.9Very low183 Ų183138 Ų13880%0.80378%0.778SS**  trans69.1134.3146.4-88.5-76.7000124.1
712N25.3Very low27.9Very low127 Ų127140.7 Ų140.768%0.67979%0.791SS**  trans72.4112.6150.7-78.8-13.6000122.7
713H30.4Very low27.7Very low170 Ų170138.5 Ų138.579%0.78779%0.793SS**  trans36.9116.9137.4-70.6-73.5000121.2
714S25.4Very low28Very low111 Ų111135.9 Ų135.978%0.77679%0.792SS**  trans-158.8154.7139.4-86.70000109.3
715N27.7Very low27.9Very low143 Ų143133.7 Ų133.777%0.76579%0.79SS**  cis171.9130.1-24.7-107.2-38000105.3
716A28.5Very low28.1Very low103 Ų103130.7 Ų130.785%0.85179%0.791SS**SBendtrans-151.8119.4148.200000105
717S23.5Very low28.2Very low95 Ų95127.8 Ų127.866%0.66479%0.787SS**SBendcis-117.5143.541.5-1490000115.5
718L29.1Very low28Very low152 Ų152129.4 Ų129.480%0.79678%0.784SS**  trans28.7123.4135.1-55.4174.9000118
719T27.9Very low28Very low127 Ų127131.7 Ų131.778%0.77978%0.781SS**  cis-152.2145.519.352.20000115.1
720A28.7Very low27.9Very low88 Ų88130.9 Ų130.973%0.72778%0.776SS**  trans-0.9159.814100000122.1
721P33.4Very low28Very low110 Ų110130 Ų13071%0.71477%0.772SS**  cis-148.6-174.3-21.641.6-22000117.2
722L28.9Very low28.1Very low169 Ų169127.9 Ų127.989%0.88576%0.764SS**  trans77.7133.1156.7-64.1177.5000121.5
723S24.4Very low28.2Very low111 Ų111129.4 Ų129.478%0.77677%0.767SS**  trans-99.3-169.1166.1-35.40000109.5
724P33.2Very low28.1Very low125 Ų125127.2 Ų127.281%0.81277%0.765SS**  cis-137.6-1533.943.7-22.4000114.5
725S26.4Very low28.4Very low124 Ų124129 Ų12987%0.86776%0.761SS**  trans-83.4150-163.8-32.70000118.1
726A32.1Very low28.5Very low102 Ų102129.4 Ų129.484%0.84376%0.759SS**  trans-147.8159.8148.200000107.4
727G25.3Very low28.7Very low65 Ų65130 Ų13067%0.6775%0.752SS**  cis116.3126.85.300000111.1
728R31.1Very low28.8Very low227 Ų227129.5 Ų129.586%0.85775%0.748SS**  trans87.1150.4-169.6-58.9179.4167154.4-3.2113.8
729E24.5Very low28.8Very low175 Ų175129.7 Ų129.782%0.81875%0.75SS**  cis64.8156.636.8-50.5168.3135.700112.4
730S26.8Very low29Very low87 Ų87126.4 Ų126.461%0.60874%0.741SS**  cis-151.9160.4-39.762.10000106.8
731D28.3Very low28.9Very low136 Ų136127 Ų12773%0.72773%0.733SS**  trans65.5161.5162.9-50.4-58.4000119.5
732H28.7Very low28.6Very low138 Ų138125.4 Ų125.464%0.63972%0.718SS**  -160.5136.5-60.5-128.3-79.9000109.1
733H27.9Very low28.6Very low160 Ų160123.1 Ų123.174%0.74170%0.702SS**  trans61.7165.1168.1-59.6-41.5000116.5
734T28.5Very low28.9Very low123 Ų123122.8 Ų122.876%0.75570%0.7SS**  cis-139.4155.510.8-15.80000106.3
735Q31.3Very low28.8Very low148 Ų148124 Ų12469%0.69270%0.7SS**  -168.1164.353.6-120.9164.110.300111
736Q30.8Very low29.1Very low152 Ų152122.9 Ų122.971%0.7169%0.692SS**  trans29.3139.3137.8-65.9158.1-16.600119.7
737T31Very low29.1Very low117 Ų117126.1 Ų126.172%0.71869%0.694SS**  cis-162.2132.211.54.30000106.9
738S26.7Very low29.3Very low83 Ų83126.2 Ų126.258%0.5869%0.694SS**  66.9145.699.482.20000116.3
739D29.8Very low29.7Very low157 Ų157120.6 Ų120.684%0.8469%0.688SS**  trans68.4161164.4-42.7-50.3000115.7
740G30.9Very low30Very low57 Ų57119.9 Ų119.959%0.58869%0.688SS**  cis166.963.4-4.500000114.6
741N26.2Very low30.5Very low102 Ų102120.9 Ų120.955%0.54569%0.692SS.*  trans63.5157.7157.5-82.776.8000123.4T783 P784N741-T783 HydrophobicContact CB-CG2 4.46Å; N741-P784 HydrophobicContact CB-CB 4.22Å; N741-P784 HydrophobicContact CB-CG 3.81Å; N741-P784 VanDerWaalsContact CG-CB 3.5Å; N741-P784 WeakPolarHBondContact OD1-CB 3.37Å; N741-P784 WeakPolarHBondContact OD1-CG 3.45Å
742D28.4Very low31Very low75 Ų75120.3 Ų120.340%0.40170%0.696SS.*  trans68.4127.1145.1-75.730.4000124T783D742-T783 WeakPolarHBondContact CB-OG1 3.4Å; D742-T783 WeakPolarHBondContact OD1-CG2 3.25Å; D742-T783 PolarHBondContact OD1-OG1 3.09Å; D742-T783 WeakPolarHBondContact OD2-CB 3.47Å; D742-T783 WeakPolarHBondContact OD2-CG2 3.44Å; D742-T783 PolarHBondContact OD2-OG1 2.9Å
743E28.8Very low31.1Very low121 Ų121121.6 Ų121.657%0.56571%0.706SS**  trans57.7112.6135.1-65.9-120.4151.700121.3V781E743-V781 HydrophobicContact CB-CG1 4.42Å; E743-V781 HydrophobicContact CG-CG1 3.87Å; E743-V781 HydrophobicContact CG-CG2 4.32Å
744S31.1Very low31.2Very low105 Ų105119.8 Ų119.873%0.73471%0.706SS**  trans74.8154.6141.180.30000117.5
745D30.1Very low31.4Very low149 Ų149119.4 Ų119.480%0.79771%0.708SS**  cis-142.4-178.42.9-150.6-16000112.5
746S32.6Very low31.6Very low102 Ų102123.7 Ų123.771%0.71372%0.718SS**  trans-87.5127.7-156.4-47.50000115.5
747I31.9Very low31.8Very low170 Ų170122.2 Ų122.287%0.87272%0.722SS**  trans-151.1127142-47.7-178000104.5
748G30.6Very low31.9Very low66 Ų66119.9 Ų119.968%0.6872%0.721SS**  cis101.8138.334.900000109.7
749P38.8Very low32.7Very low110 Ų110122 Ų12271%0.71473%0.733SS**  cis-135.8150.7-0.439.9-21.4000118.1
750I31.6Very low32.9Very low160 Ų160122.8 Ų122.882%0.82174%0.736SS**  41.9137.7123.8-39161.7000119.9
751P36.2Very low33Very low108 Ų108126 Ų12670%0.70175%0.746SS**  cis-144-173.4-40.244.4-24.9000114.9
752P39.4Very low33.2Very low124 Ų124124.4 Ų124.481%0.80575%0.754SS**  trans-134.9156156.139.2-26.5000115.1
753I30.3Very low33.4Very low165 Ų165126.9 Ų126.985%0.84678%0.777SS**  trans-146.1148.3168.4-56.7-178000110.7
754T30Very low33.7Very low122 Ų122131.8 Ų131.875%0.74879%0.79SS**  trans-146.2152.6175.855.50000114
755S33.9Very low33.5Very low114 Ų114137.6 Ų137.680%0.79780%0.796SS**  trans67.1156.6165.477.80000118.1
756R33.8Very low33.6Very low239 Ų239137.3 Ų137.390%0.90279%0.794SS**  cis-148.51734.7-129.9-166.9173.9-160-2.7109.1
757P36.9Very low33.5Very low121 Ų121140.1 Ų140.179%0.78680%0.796SS**  trans-101.2171.9-165.939.8-36.7000117.4
758G31.9Very low33.5Very low68 Ų68139.4 Ų139.470%0.70179%0.793SS**  trans-126.3-174.716500000111.3
759P44.4Very low33.5Very low128 Ų128140.4 Ų140.483%0.83179%0.789SS**  -150.4171.262.642-23.9000117.5
760L32.8Very low33.1Very low173 Ų173143.5 Ų143.591%0.90679%0.794SS**  trans-174160.2143.7-98.2174.9000108.7
761P34Very low33Very low123 Ų123142.1 Ų142.180%0.79979%0.793SS**  trans-100.9160-163.638.5-36.1000115.7
762G30.3Very low32.9Very low69 Ų69142.4 Ų142.471%0.71180%0.797SS**  trans163.5111.9164.300000115.4
763S32.3Very low32.6Very low127 Ų127147 Ų14789%0.88880%0.799SS**  trans49.292.2161.8-61.70000118.7R765S763-R765 PolarHBondContact O-N 3.08Å
764R34.5Very low32.8Very low224 Ų224146.3 Ų146.385%0.84580%0.795SS**  trans-61.1133.9163.8-63.8-176.6-171.7169.67.9111E997R764-E997 IonicContact NH2-OE2 3.49Å; R764-E997 PolarHBondContact NH2-OE2 2.72Å
765R27.6Very low32.9Very low228 Ų228144.3 Ų144.386%0.8679%0.791SS**  trans-119.2170.1148.4-154.7-177.7-165.8-151.15.5106.2S763S763-R765 PolarHBondContact O-N 3.08Å
766L31.6Very low33Very low142 Ų142146.5 Ų146.574%0.74379%0.789SS**  trans74.4155.9177.6-38.3179.1000113.1
767H31.5Very low33Very low162 Ų162143.6 Ų143.675%0.7579%0.785SS**  cis-158-157-8.7-137.8-52.2000112.1
768L30.5Very low32.8Very low154 Ų154148.6 Ų148.681%0.80679%0.788SS**  trans92.3145.2162.8-53.4173.3000118.2
769S30.2Very low32.8Very low87 Ų87149.4 Ų149.461%0.60879%0.788SS**  cis-167.6152.8-23.750.90000111.8
770H31.7Very low32.2Very low176 Ų176147.9 Ų147.982%0.81578%0.781SS**  169157.5125-108.3-91.3000113.9
771T29.5Very low32Very low130 Ų130143.7 Ų143.780%0.79876%0.762SS**  trans-148.2145.1-173.552.20000114.8
772S33.4Very low32.2Very low114 Ų114143 Ų14380%0.79776%0.757SS**  trans177.3162.1165.3-90.10000111.6
773R33.3Very low32.2Very low221 Ų221143.3 Ų143.383%0.83475%0.746SS**  cis-176167.8-31.1-125.8176.2-179.5-173.3-0.1109.2
774I34.4Very low32.8Very low150 Ų150140.6 Ų140.677%0.76973%0.725SS**  trans71.3132.6166-60.2155.2000114.8
775A32.6Very low32.5Very low80 Ų80134.9 Ų134.966%0.66172%0.719SS**  cis-150.9166.4-100000110.1
776Q36.2Very low32.7Very low161 Ų161129.8 Ų129.875%0.75271%0.714SS**  cis115.770.52.6-65.8166.6-100.500118
777H33.6Very low32.6Very low177 Ų177130.4 Ų130.482%0.81972%0.716SS**  trans-149.8143.3161.8-94.1-98.6000108.9
778R32.7Very low32.6Very low227 Ų227128.4 Ų128.486%0.85772%0.716SS**  cis135155.92.3-99.2-171.5156.1142.1-4.1108.6
779A31.8Very low32.6Very low84 Ų84126.6 Ų126.669%0.69471%0.711SS**  cis175.7170.2-22.300000109.3
780S31.5Very low32.6Very low97 Ų97129 Ų12968%0.67872%0.717SS**  cis-176.5145.4-35.6-74.70000112.6
781V28.9Very low32.7Very low84 Ų84124.3 Ų124.351%0.50970%0.704SS.*  trans67.3172.2141.7166.20000118.9E743E743-V781 HydrophobicContact CB-CG1 4.42Å; E743-V781 HydrophobicContact CG-CG1 3.87Å; E743-V781 HydrophobicContact CG-CG2 4.32Å
782P37.4Very low32.7Very low108 Ų108125.3 Ų125.370%0.70170%0.704SS**  cis-131.3155.8-11.825.2-1.4000120
783T30.3Very low32.7Very low77 Ų77125.5 Ų125.547%0.47270%0.701SS.*  125-175.8115.774.50000122.9N741 D742N741-T783 HydrophobicContact CB-CG2 4.46Å; D742-T783 WeakPolarHBondContact CB-OG1 3.4Å; D742-T783 WeakPolarHBondContact OD1-CG2 3.25Å; D742-T783 PolarHBondContact OD1-OG1 3.09Å; D742-T783 WeakPolarHBondContact OD2-CB 3.47Å; D742-T783 WeakPolarHBondContact OD2-CG2 3.44Å; D742-T783 PolarHBondContact OD2-OG1 2.9Å
784P45Very low32.4Very low69 Ų69121.3 Ų121.345%0.44870%0.7SS.*  trans-137.8177.4-137.948.1-34.9000120.1N741N741-P784 HydrophobicContact CB-CB 4.22Å; N741-P784 HydrophobicContact CB-CG 3.81Å; N741-P784 VanDerWaalsContact CG-CB 3.5Å; N741-P784 WeakPolarHBondContact OD1-CB 3.37Å; N741-P784 WeakPolarHBondContact OD1-CG 3.45Å
785S29.4Very low32.1Very low105 Ų105117.7 Ų117.773%0.73470%0.699SS**  172141.9126.142.40000117.6
786T30.6Very low31.7Very low121 Ų121120.7 Ų120.774%0.74271%0.714SS**  trans62.9136.415247.20000125.2
787I30.8Very low31.2Very low155 Ų155116.7 Ų116.780%0.79572%0.716SS**  trans80140144.1-84.9167.3000116.9
788T30.5Very low31Very low120 Ų120114.1 Ų114.174%0.73672%0.718SS**  cis-149.4-174.816.9-110000115.1
789T31.1Very low30.9Very low115 Ų115110.7 Ų110.771%0.70672%0.717SS**  trans-44.4164.9163.852.90000118
790N29.3Very low31.1Very low138 Ų138112.2 Ų112.274%0.73872%0.719SS**  cis-162.9157.217.9-13520.1000115.2
791S35Very low30.9Very low78 Ų78115.1 Ų115.155%0.54573%0.727SS.*  trans35.7124.2143.162.30000121.9
792D28.8Very low30.9Very low150 Ų150115.8 Ų115.880%0.80274%0.735SS**  76.4149.165.5-65.5-41.4000114
793V33.6Very low30.4Very low119 Ų119118.4 Ų118.472%0.72174%0.742SS**  cis-158.7169.8-1.6113.30000112.3
794T27.9Very low30.2Very low132 Ų132118.5 Ų118.581%0.8175%0.746SS**  trans-27.7160.8174.768.80000121.4
795G27.1Very low29.3Very low74 Ų74123.8 Ų123.876%0.76377%0.765SS**  trans179.8115.7149.200000116.4
796C23.6Very low29.1Very low143 Ų143123.1 Ų123.197%0.96676%0.76SS**  trans-75154.4175.8-53.40000113.1
797G25.8Very low28.8Very low78 Ų78123.5 Ų123.580%0.80476%0.763SS**  trans177.1101.517000000117.1
798S29.7Very low28.5Very low123 Ų123121.1 Ų121.186%0.8676%0.759SS**  trans-17.4145.9167.3-49.10000122.4
799N31.5Very low28.2Very low155 Ų155120 Ų12083%0.82976%0.757SS**  trans-47.3168.7150.3-66-22.7000113.2
800P35Very low28Very low115 Ų115120.8 Ų120.875%0.74776%0.761SS**  cis-138.7-178.514.843.4-26.6000116.2
801L27.3Very low27.9Very low159 Ų159121.3 Ų121.383%0.83276%0.762SS**  177.1154.5128.3-98.3166.9000112.7
802S29.5Very low27.6Very low97 Ų97126.3 Ų126.368%0.67877%0.774SS**  trans58.6118.6175.336.10000116.6
803L27.2Very low27.4Very low163 Ų163124.5 Ų124.585%0.85377%0.773SS**  62.4133.766.4-64.1167.5000112.9
804S25.1Very low27.2Very low80 Ų80124.5 Ų124.556%0.55978%0.779SS**  cis173.6149.8-18.642.60000106.7
805E27.2Very low27.2Very low180 Ų180125.7 Ų125.784%0.84178%0.78SS**  trans62172160.6-66.2175.6170.100116.3
806S23.8Very low27.1Very low90 Ų90127 Ų12763%0.62978%0.777SS**  cis-159.6158.1-41.2-94.60000109.8
807T25.2Very low27.9Very low130 Ų130124.7 Ų124.780%0.79876%0.76SS**  trans55.5126.1151.552.20000122.2
808S23.4Very low28Very low104 Ų104129.6 Ų129.673%0.72776%0.76SS**  82.8144.4129.5-168.90000121.8
809S25.4Very low27.9Very low97 Ų97131.1 Ų131.168%0.67876%0.758SS**  trans62.8106.6151.239.70000119
810V26Very low27.9Very low132 Ų132130.9 Ų130.980%0.876%0.756SS**  82.799.969.8166.50000113.6
811I28.7Very low27.6Very low149 Ų149131.5 Ų131.576%0.76476%0.758SS**  trans169.2119.9133.4-90.3156000113
812K28.1Very low27.7Very low183 Ų183132.6 Ų132.680%0.79676%0.759SS**  trans46.7104.9145.3-60.3-179.3-178.6177.80122.1
813S24.5Very low27.5Very low111 Ų111136.4 Ų136.478%0.77677%0.766SS**  42.1124.2120.165.60000122.2
814S28.5Very low27.7Very low120 Ų120134.4 Ų134.484%0.83977%0.765SS**  -165.2163.4117.459.90000112.4
815D27.6Very low27.8Very low157 Ų157138.5 Ų138.584%0.8478%0.78SS**  trans-74170-165.1-61.4-88.4000119
816S26.3Very low27.9Very low100 Ų100137.1 Ų137.170%0.69978%0.777SS**  trans-60.9-165.1161.764.60000113.3
817P40.1Very low28.2Very low95 Ų95139.9 Ų139.962%0.61778%0.784SS**  cis-152.8-161.513.235.5-8000118.3
818K26.8Very low28.3Very low182 Ų182138.9 Ų138.979%0.79178%0.782SS**  trans93.2108.2145.6-76.3162.7-173.9170.60122
819N29.3Very low28.6Very low154 Ų154143.6 Ų143.682%0.82479%0.79SS**  179.1157.6124.3-89.7-28.7000108.1
820L31.6Very low28.7Very low151 Ų151146 Ų14679%0.79180%0.796SS**  cis-145172.14.8-155.473.2000109.7
821T27.4Very low28.7Very low127 Ų127144.1 Ų144.178%0.77979%0.794SS**  trans-146.4170-177.6550000113.2
822Q29.9Very low28.7Very low182 Ų182144.6 Ų144.685%0.8579%0.793SS**  trans123.9160.1162.2-72.7-176.94.600115.3
823H26.4Very low28.9Very low178 Ų178142.3 Ų142.382%0.82479%0.789SS**  cis179.3113-34.9-152.1-86.8000109.4
824S30.9Very low29.1Very low121 Ų121141.4 Ų141.485%0.84678%0.783SS**  trans-172.2167.8165530000113.9
825L26.8Very low29Very low165 Ų165142.1 Ų142.186%0.86478%0.777SS**  trans-124.8161.5178.5-77.9157.9000109.8
826I28.8Very low29.1Very low151 Ų151140.5 Ų140.577%0.77477%0.769SS**  trans176.5151.5131.6-95.8159.3000113.3
827N29.9Very low29.4Very low149 Ų149141.9 Ų141.980%0.79777%0.767SS**  trans80.7133.5166-74.7-14.7000122.1
828S28.6Very low29Very low108 Ų108145.6 Ų145.676%0.75578%0.776SS**  trans-153.3163.1173.3-41.70000107.2
829F27.9Very low28.9Very low203 Ų203143.1 Ų143.189%0.8977%0.772SS**  trans-169.7168.8150.4-106.2-60.1000115.1
830N27.9Very low28.9Very low148 Ų148146.2 Ų146.279%0.79177%0.772SS**  trans81.2115.9-174.3-56-9.6000114.2
831A27.1Very low28.8Very low92 Ų92143.8 Ų143.876%0.7677%0.768SS**  cis88.1140.638.100000112.8
832E29.3Very low28.7Very low159 Ų159144.7 Ų144.774%0.74377%0.767SS**  cis-146178.717.5-61.8-179.4154.100113.6
833N31.4Very low28.4Very low136 Ų136143.7 Ų143.773%0.72776%0.762SS**  trans72.5148150.6-63-40.2000120.4
834S28.1Very low28.4Very low91 Ų91140.3 Ų140.364%0.63676%0.758SS**  cis-167153.2-22.5-167.90000112.2
835N27.8Very low28.1Very low135 Ų135142.6 Ų142.672%0.72276%0.755SS**  trans66.3130.7154.1-82.527.5000125.4
836D29.2Very low28.3Very low124 Ų124140 Ų14066%0.66375%0.747SS**  92127.7127.3-78.1-40.7000125.9
837I32.2Very low28.3Very low129 Ų129140.3 Ų140.366%0.66274%0.744SS**  trans85113.9139-69.8167.7000121.9
838Q32.1Very low28.4Very low172 Ų172140.4 Ų140.480%0.80474%0.74SS**  trans63.6138.8150.6-68.1163.612.300119.3
839D25.1Very low28.5Very low131 Ų131144.3 Ų144.370%0.70175%0.746SS**  cis102.5141.824.2-169.336.1000114.6
840R29.3Very low28.9Very low218 Ų218145 Ų14582%0.82374%0.742SS**  trans74.7124.1169.6-77165.4-178.9-113.4-7.1123.2
841S29Very low29.4Very low101 Ų101144.2 Ų144.271%0.70673%0.734SS**  trans60.9111.6134.2-152.50000119.4
842L24.1Very low29.9Very low145 Ų145145 Ų14576%0.75973%0.731SS**  63.9124.667.7-77.8166.5000117
843Q25.5Very low30.5Very low162 Ų162144.8 Ų144.876%0.75773%0.73SS**  trans91.6110.2145.1-74.3161.3-38.400121.9
844S24.6Very low31.3Very low106 Ų106143.1 Ų143.174%0.74173%0.729SS**  trans74.7149.415385.40000117
845H26.4Very low32.2Very low169 Ų169143 Ų14378%0.78273%0.727SS**  cis-134159.34.7-104-80.4000112
846T29.5Very low33.5Very low112 Ų112140.9 Ų140.969%0.68772%0.722SS**  trans-12.8120.6161.449.50000119.4
847H30.1Very low35.5Very low156 Ų156139.1 Ų139.172%0.72272%0.715SS**  176155.9115.5-105-97.6000113.2
848H31.9Very low37.2Very low151 Ų151135.8 Ų135.870%0.69971%0.708SS**  trans31.6100.2164-55.8-60.8000121.7
849H29.5Very low39.1Very low190 Ų190130.3 Ų130.388%0.8869%0.692SS**  170138.9111.5-96.7-76.2000113.4
850R36Very low41.7Very low217 Ų217133.2 Ų133.282%0.81969%0.693SS**  trans-159.3149164.3-78-169130.4-178.6-2.2107.4
851H39.3Very low44.2Very low132 Ų132127.2 Ų127.261%0.61168%0.677SS**  cis-147.8155-18.5-105.8-60.6000107.6
852P37.3Very low46.8Very low109 Ų109126.3 Ų126.371%0.70866%0.662SS**  trans-98.8107.7179.134.7-28000112.6
853E41.3Very low49.7Very low154 Ų154123.2 Ų123.272%0.7265%0.648SS**  trans-129.1-7.7178.1-67.2-172152.700115
854S49Very low52.6Low102 Ų102121.8 Ų121.871%0.71364%0.642SS**Hα-helixtrans-75.1-32.2-174.656.70000115.1C856 V857 A858S854-C856 PolarHBondContact O-N 3.42Å; S854-V857 PolarHBondContact O-N 3.4Å; S854-A858 PolarHBondContact O-N 3.27Å
855C47.4Very low55.8Low88 Ų88122.4 Ų122.460%0.59563%0.628SS**Hα-helixtrans-70.7-33.9-172.870.30000113.3V857 A858 A859C855-V857 PolarHBondContact O-N 2.85Å; C855-A858 PolarHBondContact O-N 3.14Å; C855-A859 WeakPolarHBondContact O-CB 3.38Å; C855-A859 PolarHBondContact O-N 3.45Å
856C55Low58.7Low91 Ų91117.7 Ų117.762%0.61561%0.608SS**Hα-helixtrans-66.5-36.6179.3-61.10000112.3S854 R860S854-C856 PolarHBondContact O-N 3.42Å; C856-R860 WeakPolarHBondContact O-CB 3.44Å; C856-R860 PolarHBondContact O-N 3.24Å; C856-R860 VanDerWaalsContact O-N 3.15Å
857V70Confident61.5Low86 Ų86118 Ų11852%0.52160%0.602SS.*Hα-helixtrans-72.3-44.1176.3-178.10000110.5S854 C855 A859 R860 N861S854-V857 PolarHBondContact O-N 3.4Å; C855-V857 PolarHBondContact O-N 2.85Å; V857-A859 PolarHBondContact O-N 3.39Å; V857-R860 PolarHBondContact O-N 2.94Å; V857-N861 WeakPolarHBondContact O-CB 3.44Å; V857-N861 PolarHBondContact O-N 3.22Å; V857-N861 PolarHBondContact O-OD1 3.11Å
858A68.8Low64.4Low60 Ų60117.7 Ų117.750%0.49660%0.598SS.*Hα-helixtrans-58.3-46.6176.100000112.1S854 C855 R860 N861 E862S854-A858 PolarHBondContact O-N 3.27Å; C855-A858 PolarHBondContact O-N 3.14Å; A858-R860 PolarHBondContact O-N 3Å; A858-N861 PolarHBondContact O-N 3.06Å; A858-E862 WeakPolarHBondContact O-CB 3.1Å; A858-E862 PolarHBondContact O-N 3.26Å
859A72.7Confident67.1Low57 Ų57114.3 Ų114.347%0.47158%0.583SS.*Hα-helixtrans-62.4-39.8176.900000112.7C855 V857 E862 V863C855-A859 WeakPolarHBondContact O-CB 3.38Å; C855-A859 PolarHBondContact O-N 3.45Å; V857-A859 PolarHBondContact O-N 3.39Å; A859-E862 PolarHBondContact O-N 3.12Å; A859-V863 WeakPolarHBondContact O-CG2 3.46Å; A859-V863 PolarHBondContact O-N 2.8Å
860R78.3Confident69.8Low191 Ų191109.5 Ų109.572%0.72156%0.564SS**Hα-helixtrans-65.9-45.5177.7-170176.8-173122.73.4112C856 V857 A858 E862 V863 E864C856-R860 WeakPolarHBondContact O-CB 3.44Å; C856-R860 PolarHBondContact O-N 3.24Å; C856-R860 VanDerWaalsContact O-N 3.15Å; V857-R860 PolarHBondContact O-N 2.94Å; A858-R860 PolarHBondContact O-N 3Å; R860-E862 VanDerWaalsContact C-N 3.31Å; R860-E862 PolarHBondContact O-N 3.13Å; R860-V863 PolarHBondContact O-N 2.99Å; R860-E864 PolarHBondContact O-N 3.12Å
861N82.9Confident72.4Confident93 Ų93103.3 Ų103.350%0.49755%0.547SS..Hα-helixtrans-63.2-38178.7-66.22.6000111.6V857 A858 E864 R865V857-N861 WeakPolarHBondContact O-CB 3.44Å; V857-N861 PolarHBondContact O-N 3.22Å; V857-N861 PolarHBondContact O-OD1 3.11Å; A858-N861 PolarHBondContact O-N 3.06Å; N861-E864 PolarHBondContact O-N 3.02Å; N861-R865 WeakPolarHBondContact O-CB 3.5Å; N861-R865 PolarHBondContact O-N 3.45Å
862E83Confident74.7Confident81 Ų81102.1 Ų102.138%0.37954%0.541SS..Hα-helixtrans-69.9-39.5177-178.257.4-163.300112.2A858 A859 R860 E864 R865 L866A858-E862 WeakPolarHBondContact O-CB 3.1Å; A858-E862 PolarHBondContact O-N 3.26Å; A859-E862 PolarHBondContact O-N 3.12Å; R860-E862 VanDerWaalsContact C-N 3.31Å; R860-E862 PolarHBondContact O-N 3.13Å; E862-E864 VanDerWaalsContact C-N 3.29Å; E862-E864 PolarHBondContact O-N 3.43Å; E862-R865 VanDerWaalsContact CD-NE 3.35Å; E862-R865 WeakPolarHBondContact O-CB 3.5Å; E862-R865 PolarHBondContact O-N 3.17Å; E862-R865 IonicContact OE1-CZ 2.75Å; E862-R865 IonicContact OE1-NE 2.68Å; E862-R865 PolarHBondContact OE1-NE 3.32Å; E862-R865 IonicContact OE1-NH2 3.54Å; E862-R865 PolarHBondContact OE1-NH2 2.98Å; E862-R865 WeakPolarHBondContact OE2-CD 3.49Å; E862-R865 IonicContact OE2-CZ 3.32Å; E862-R865 IonicContact OE2-NE 3.76Å; E862-R865 PolarHBondContact OE2-NE 3.34Å; E862-R865 IonicContact OE2-NH2 3.1Å; E862-L866 HydrophobicContact CG-CD1 4.15Å; E862-L866 WeakPolarHBondContact O-CB 3.46Å; E862-L866 VanDerWaalsContact O-CG 3.3Å; E862-L866 WeakPolarHBondContact O-CG 3.47Å; E862-L866 PolarHBondContact O-N 3.43Å
863V85.4Confident77.2Confident80 Ų80101.2 Ų101.249%0.48553%0.53SS..Hα-helixtrans-60.9-39.2171.6169.10000111.2A859 R860 L866 H867A859-V863 WeakPolarHBondContact O-CG2 3.46Å; A859-V863 PolarHBondContact O-N 2.8Å; R860-V863 PolarHBondContact O-N 2.99Å; V863-L866 PolarHBondContact O-N 2.99Å; V863-H867 PolarHBondContact O-N 3.15Å; V863-H867 PolarHBondContact O-ND1 3.44Å
864E86.5Confident79.5Confident133 Ų133100.1 Ų100.162%0.62152%0.523SS*.Hα-helixtrans-70-38.6177.4-166.8158.4-147.900112.2R860 N861 E862 H867 K868R860-E864 PolarHBondContact O-N 3.12Å; N861-E864 PolarHBondContact O-N 3.02Å; E862-E864 VanDerWaalsContact C-N 3.29Å; E862-E864 PolarHBondContact O-N 3.43Å; E864-H867 PolarHBondContact O-N 3.09Å; E864-K868 PolarHBondContact O-N 2.99Å; E864-K868 VanDerWaalsContact O-N 3.08Å
865R91.9Very high81.6Confident118 Ų11899.3 Ų99.345%0.44551%0.513SS..Hα-helixtrans-58.2-48.7170.7-165.6-167.170.766.97.2111.5N861 E862 H867 K868 E869N861-R865 WeakPolarHBondContact O-CB 3.5Å; N861-R865 PolarHBondContact O-N 3.45Å; E862-R865 VanDerWaalsContact CD-NE 3.35Å; E862-R865 WeakPolarHBondContact O-CB 3.5Å; E862-R865 PolarHBondContact O-N 3.17Å; E862-R865 IonicContact OE1-CZ 2.75Å; E862-R865 IonicContact OE1-NE 2.68Å; E862-R865 PolarHBondContact OE1-NE 3.32Å; E862-R865 IonicContact OE1-NH2 3.54Å; E862-R865 PolarHBondContact OE1-NH2 2.98Å; E862-R865 WeakPolarHBondContact OE2-CD 3.49Å; E862-R865 IonicContact OE2-CZ 3.32Å; E862-R865 IonicContact OE2-NE 3.76Å; E862-R865 PolarHBondContact OE2-NE 3.34Å; E862-R865 IonicContact OE2-NH2 3.1Å; R865-H867 VanDerWaalsContact C-N 3.33Å; R865-H867 PolarHBondContact O-N 3.16Å; R865-K868 WeakPolarHBondContact O-CB 3.25Å; R865-K868 PolarHBondContact O-N 2.93Å; R865-E869 IonicContact CZ-OE2 2.8Å; R865-E869 IonicContact NH1-OE2 3.93Å; R865-E869 PolarHBondContact NH1-OE2 3.34Å; R865-E869 IonicContact NH2-OE2 3.19Å; R865-E869 PolarHBondContact NH2-OE2 3.32Å; R865-E869 PolarHBondContact O-N 2.92Å
866L86.5Confident83.6Confident70 Ų7099.8 Ų99.837%0.36651%0.507SS..Hα-helixtrans-66.4-30.9179.1-72.1167.6000113E862 V863 N870E862-L866 HydrophobicContact CG-CD1 4.15Å; E862-L866 WeakPolarHBondContact O-CB 3.46Å; E862-L866 VanDerWaalsContact O-CG 3.3Å; E862-L866 WeakPolarHBondContact O-CG 3.47Å; E862-L866 PolarHBondContact O-N 3.43Å; V863-L866 PolarHBondContact O-N 2.99Å; L866-N870 WeakPolarHBondContact O-CB 3.26Å; L866-N870 PolarHBondContact O-N 2.85Å; L866-N870 PolarHBondContact O-ND2 3.16Å
867H88.9Confident85.2Confident120 Ų120101.1 Ų101.156%0.55651%0.507SS*.Hα-helixtrans-68.7-39.6171.7-83.282.3000112.1V863 E864 R865 N871V863-H867 PolarHBondContact O-N 3.15Å; V863-H867 PolarHBondContact O-ND1 3.44Å; E864-H867 PolarHBondContact O-N 3.09Å; R865-H867 VanDerWaalsContact C-N 3.33Å; R865-H867 PolarHBondContact O-N 3.16Å; H867-N871 PolarHBondContact O-N 3.28Å; H867-N871 VanDerWaalsContact O-N 3.12Å; H867-N871 PolarHBondContact O-ND2 3.34Å
868K90.4Very high86.1Confident148 Ų148100.1 Ų100.164%0.64350%0.504SS*.Hα-helixtrans-62.9-48.6174.2-171.2-174.3173.6-168.70111E864 R865 N870 N871 E872E864-K868 PolarHBondContact O-N 2.99Å; E864-K868 VanDerWaalsContact O-N 3.08Å; R865-K868 WeakPolarHBondContact O-CB 3.25Å; R865-K868 PolarHBondContact O-N 2.93Å; K868-N870 PolarHBondContact O-N 3.49Å; K868-N871 PolarHBondContact O-N 3.48Å; K868-N871 VanDerWaalsContact O-N 3.09Å; K868-E872 PolarHBondContact O-N 2.9Å
869E89.2Confident87Confident81 Ų81101.8 Ų101.838%0.37951%0.505SS..Hα-helixtrans-59.2-43.4178.4-171.1170.4-167.700112R865 N871 E872 L873R865-E869 IonicContact CZ-OE2 2.8Å; R865-E869 IonicContact NH1-OE2 3.93Å; R865-E869 PolarHBondContact NH1-OE2 3.34Å; R865-E869 IonicContact NH2-OE2 3.19Å; R865-E869 PolarHBondContact NH2-OE2 3.32Å; R865-E869 PolarHBondContact O-N 2.92Å; E869-N871 VanDerWaalsContact C-N 3.32Å; E869-N871 PolarHBondContact O-N 3.09Å; E869-E872 PolarHBondContact O-N 2.91Å; E869-L873 HydrophobicContact CG-CD1 4.39Å; E869-L873 WeakPolarHBondContact O-CB 3.35Å; E869-L873 WeakPolarHBondContact O-CG 3.45Å; E869-L873 PolarHBondContact O-N 3.09Å
870N86.4Confident87.6Confident89 Ų89105 Ų10548%0.47651%0.513SS..Hα-helixtrans-62.8-33.5173.8-90-81.4000113.8L866 K868 K874L866-N870 WeakPolarHBondContact O-CB 3.26Å; L866-N870 PolarHBondContact O-N 2.85Å; L866-N870 PolarHBondContact O-ND2 3.16Å; K868-N870 PolarHBondContact O-N 3.49Å; N870-K874 VanDerWaalsContact O-CG 3.29Å; N870-K874 WeakPolarHBondContact O-CG 3.44Å; N870-K874 PolarHBondContact O-N 2.86Å
871N90.3Very high88.1Confident86 Ų8699.9 Ų99.946%0.4650%0.498SS..Hα-helixtrans-76.7-35177.5-71.6-21.3000111.7H867 K868 E869 K874 V875H867-N871 PolarHBondContact O-N 3.28Å; H867-N871 VanDerWaalsContact O-N 3.12Å; H867-N871 PolarHBondContact O-ND2 3.34Å; K868-N871 PolarHBondContact O-N 3.48Å; K868-N871 VanDerWaalsContact O-N 3.09Å; E869-N871 VanDerWaalsContact C-N 3.32Å; E869-N871 PolarHBondContact O-N 3.09Å; N871-K874 PolarHBondContact O-N 3.16Å; N871-K874 PolarHBondContact OD1-NZ 3.32Å; N871-V875 PolarHBondContact O-N 3.03Å
872E88.4Confident88.5Confident107 Ų107100.1 Ų100.150%0.550%0.499SS..Hα-helixtrans-66.1-42.1174-163.4162.6168.700111.3K868 E869 K874 V875 Q876K868-E872 PolarHBondContact O-N 2.9Å; E869-E872 PolarHBondContact O-N 2.91Å; E872-K874 VanDerWaalsContact C-N 3.34Å; E872-K874 PolarHBondContact O-N 3.23Å; E872-V875 PolarHBondContact O-N 3.16Å; E872-Q876 WeakPolarHBondContact O-CG 3.09Å; E872-Q876 PolarHBondContact O-N 3.39Å; E872-Q876 VanDerWaalsContact O-N 3.09Å
873L88.3Confident88.6Confident90 Ų9099.4 Ų99.447%0.47150%0.503SS..Hα-helixtrans-63-34.2172.4-72169.2000113.3E869 Q876 L877E869-L873 HydrophobicContact CG-CD1 4.39Å; E869-L873 WeakPolarHBondContact O-CB 3.35Å; E869-L873 WeakPolarHBondContact O-CG 3.45Å; E869-L873 PolarHBondContact O-N 3.09Å; L873-Q876 PolarHBondContact O-N 3.41Å; L873-L877 WeakPolarHBondContact O-CB 3.42Å; L873-L877 PolarHBondContact O-N 2.9Å
874K90.6Very high88.8Confident132 Ų13299.8 Ų99.857%0.57450%0.498SS*.Hα-helixtrans-66.2-37.3174.1-76.7168.5-170.2167.40112.7N870 N871 E872 L877 S878N870-K874 VanDerWaalsContact O-CG 3.29Å; N870-K874 WeakPolarHBondContact O-CG 3.44Å; N870-K874 PolarHBondContact O-N 2.86Å; N871-K874 PolarHBondContact O-N 3.16Å; N871-K874 PolarHBondContact OD1-NZ 3.32Å; E872-K874 VanDerWaalsContact C-N 3.34Å; E872-K874 PolarHBondContact O-N 3.23Å; K874-L877 PolarHBondContact O-N 3.39Å; K874-S878 PolarHBondContact O-N 2.91Å
875V92.6Very high89Confident84 Ų8496.6 Ų96.651%0.50949%0.485SS..Hα-helixtrans-65-50.2174.6175.90000109.6N871 E872 L877 S878 D879N871-V875 PolarHBondContact O-N 3.03Å; E872-V875 PolarHBondContact O-N 3.16Å; V875-L877 VanDerWaalsContact C-N 3.26Å; V875-L877 PolarHBondContact O-N 3.35Å; V875-S878 WeakPolarHBondContact O-CA 3.49Å; V875-S878 WeakPolarHBondContact O-CB 3.46Å; V875-S878 PolarHBondContact O-N 3.02Å; V875-D879 PolarHBondContact O-N 3.39Å
876Q90.1Very high88.9Confident98 Ų9895.1 Ų95.146%0.45849%0.485SS..Hα-helixtrans-57.1-38.1176.6-67.2176.514.100112.8E872 L873 D879 L880E872-Q876 WeakPolarHBondContact O-CG 3.09Å; E872-Q876 PolarHBondContact O-N 3.39Å; E872-Q876 VanDerWaalsContact O-N 3.09Å; L873-Q876 PolarHBondContact O-N 3.41Å; Q876-D879 PolarHBondContact O-N 3Å; Q876-L880 WeakPolarHBondContact O-CB 3.25Å; Q876-L880 VanDerWaalsContact O-CG 3.26Å; Q876-L880 WeakPolarHBondContact O-CG 3.18Å; Q876-L880 PolarHBondContact O-N 2.95Å
877L87.5Confident88.7Confident119 Ų11996.1 Ų96.162%0.62349%0.494SS*.Hα-helixtrans-67.9-35.7176-167.9148.8000112.1L873 K874 V875 Q881L873-L877 WeakPolarHBondContact O-CB 3.42Å; L873-L877 PolarHBondContact O-N 2.9Å; K874-L877 PolarHBondContact O-N 3.39Å; V875-L877 VanDerWaalsContact C-N 3.26Å; V875-L877 PolarHBondContact O-N 3.35Å; L877-Q881 WeakPolarHBondContact O-CB 3.39Å; L877-Q881 PolarHBondContact O-N 2.95Å
878S90.3Very high88.6Confident66 Ų6694.7 Ų94.746%0.46249%0.488SS..Hα-helixtrans-68.6-39172.9-164.10000112.6K874 V875 Q881 N882K874-S878 PolarHBondContact O-N 2.91Å; V875-S878 WeakPolarHBondContact O-CA 3.49Å; V875-S878 WeakPolarHBondContact O-CB 3.46Å; V875-S878 PolarHBondContact O-N 3.02Å; S878-Q881 PolarHBondContact O-N 3.23Å; S878-N882 PolarHBondContact O-N 2.84Å
879D87.9Confident88.6Confident94 Ų9494.2 Ų94.250%0.50349%0.488SS..Hα-helixtrans-68.2-39.8176.7-66.3-33.2000111.4V875 Q876 Q881 N882 S883V875-D879 PolarHBondContact O-N 3.39Å; Q876-D879 PolarHBondContact O-N 3Å; D879-Q881 VanDerWaalsContact C-N 3.34Å; D879-N882 PolarHBondContact O-N 2.87Å; D879-S883 WeakPolarHBondContact O-CB 3.36Å; D879-S883 PolarHBondContact O-N 2.75Å
880L84.6Confident88.5Confident124 Ų12498.9 Ų98.965%0.64950%0.502SS*.Hα-helixtrans-64.6-36172.5-75.3169000112.3Q876 S883 K884Q876-L880 WeakPolarHBondContact O-CB 3.25Å; Q876-L880 VanDerWaalsContact O-CG 3.26Å; Q876-L880 WeakPolarHBondContact O-CG 3.18Å; Q876-L880 PolarHBondContact O-N 2.95Å; L880-S883 PolarHBondContact O-N 2.9Å; L880-K884 WeakPolarHBondContact O-CB 3.4Å; L880-K884 PolarHBondContact O-N 3.17Å
881Q89.2Confident88.5Confident84 Ų8499.2 Ų99.239%0.39350%0.503SS..Hα-helixtrans-65.2-49.5174.6-170.764.747.700111.2L877 S878 D879 S883 K884 D885L877-Q881 WeakPolarHBondContact O-CB 3.39Å; L877-Q881 PolarHBondContact O-N 2.95Å; S878-Q881 PolarHBondContact O-N 3.23Å; D879-Q881 VanDerWaalsContact C-N 3.34Å; Q881-S883 VanDerWaalsContact C-N 3.26Å; Q881-S883 PolarHBondContact O-N 3.38Å; Q881-K884 WeakPolarHBondContact O-CB 3.46Å; Q881-K884 PolarHBondContact O-N 2.94Å; Q881-K884 VanDerWaalsContact O-N 3.15Å; Q881-D885 PolarHBondContact NE2-OD1 3.03Å; Q881-D885 PolarHBondContact NE2-OD2 3.28Å; Q881-D885 PolarHBondContact O-N 3.21Å
882N90Very high88.4Confident98 Ų98101.9 Ų101.952%0.52451%0.513SS..Hα-helixtrans-55.4-41.9172.6-88.6-18.9000112.1S878 D879 D885 I886S878-N882 PolarHBondContact O-N 2.84Å; D879-N882 PolarHBondContact O-N 2.87Å; N882-D885 PolarHBondContact O-N 2.83Å; N882-I886 WeakPolarHBondContact O-CD1 3.33Å; N882-I886 VanDerWaalsContact O-CG1 3.25Å; N882-I886 WeakPolarHBondContact O-CG1 3.27Å; N882-I886 PolarHBondContact O-N 3.46Å
883S85.3Confident88.3Confident67 Ų67101.1 Ų101.147%0.46951%0.512SS..Hα-helixtrans-64.3-41.3178-170.30000112.5D879 L880 Q881 V887D879-S883 WeakPolarHBondContact O-CB 3.36Å; D879-S883 PolarHBondContact O-N 2.75Å; L880-S883 PolarHBondContact O-N 2.9Å; Q881-S883 VanDerWaalsContact C-N 3.26Å; Q881-S883 PolarHBondContact O-N 3.38Å; S883-V887 WeakPolarHBondContact O-CG2 3.44Å; S883-V887 PolarHBondContact O-N 2.85Å; S883-V887 VanDerWaalsContact O-N 3.15Å
884K90.6Very high88.1Confident88 Ų88101.3 Ų101.338%0.38351%0.513SS..Hα-helixtrans-60.5-49.7173.3173.7-169.5154-61.30111L880 Q881 I886 V887 E888L880-K884 WeakPolarHBondContact O-CB 3.4Å; L880-K884 PolarHBondContact O-N 3.17Å; Q881-K884 WeakPolarHBondContact O-CB 3.46Å; Q881-K884 PolarHBondContact O-N 2.94Å; Q881-K884 VanDerWaalsContact O-N 3.15Å; K884-I886 VanDerWaalsContact C-N 3.3Å; K884-I886 PolarHBondContact O-N 3.05Å; K884-V887 WeakPolarHBondContact O-CA 3.39Å; K884-V887 WeakPolarHBondContact O-CB 3.42Å; K884-V887 PolarHBondContact O-N 3.19Å; K884-E888 WeakPolarHBondContact CE-OE1 3.45Å; K884-E888 IonicContact NZ-OE1 3.35Å; K884-E888 PolarHBondContact NZ-OE1 3.08Å; K884-E888 IonicContact NZ-OE2 3.76Å; K884-E888 PolarHBondContact NZ-OE2 3Å; K884-E888 PolarHBondContact O-N 3.34Å
885D89.9Confident87.9Confident65 Ų65100.3 Ų100.335%0.34851%0.511SS..Hα-helixtrans-67.7-32.7-173.7-56.5-16.6000110.9Q881 N882 E888 Q889Q881-D885 PolarHBondContact NE2-OD1 3.03Å; Q881-D885 PolarHBondContact NE2-OD2 3.28Å; Q881-D885 PolarHBondContact O-N 3.21Å; N882-D885 PolarHBondContact O-N 2.83Å; D885-E888 PolarHBondContact O-N 2.8Å; D885-Q889 PolarHBondContact O-N 3.25Å
886I89.4Confident87.6Confident88 Ų8898 Ų9845%0.45150%0.504SS..Hα-helixtrans-64.7-35.2168.8-70.4165000112.5N882 K884 R890N882-I886 WeakPolarHBondContact O-CD1 3.33Å; N882-I886 VanDerWaalsContact O-CG1 3.25Å; N882-I886 WeakPolarHBondContact O-CG1 3.27Å; N882-I886 PolarHBondContact O-N 3.46Å; K884-I886 VanDerWaalsContact C-N 3.3Å; K884-I886 PolarHBondContact O-N 3.05Å; I886-R890 WeakPolarHBondContact O-CG 3.49Å; I886-R890 PolarHBondContact O-N 3.11Å
887V82.7Confident87.4Confident91 Ų91100 Ų10055%0.55251%0.507SS*.Hα-helixtrans-73.9-38.1177.31680000111.3S883 K884 R890 L891S883-V887 WeakPolarHBondContact O-CG2 3.44Å; S883-V887 PolarHBondContact O-N 2.85Å; S883-V887 VanDerWaalsContact O-N 3.15Å; K884-V887 WeakPolarHBondContact O-CA 3.39Å; K884-V887 WeakPolarHBondContact O-CB 3.42Å; K884-V887 PolarHBondContact O-N 3.19Å; V887-R890 PolarHBondContact O-N 3.44Å; V887-L891 PolarHBondContact O-N 3.5Å
888E87.7Confident87.3Confident90 Ų9099.1 Ų99.142%0.42150%0.502SS..Hα-helixtrans-66-43.6175.3-73172171.700111.4K884 D885 R890 L891 E892K884-E888 WeakPolarHBondContact CE-OE1 3.45Å; K884-E888 IonicContact NZ-OE1 3.35Å; K884-E888 PolarHBondContact NZ-OE1 3.08Å; K884-E888 IonicContact NZ-OE2 3.76Å; K884-E888 PolarHBondContact NZ-OE2 3Å; K884-E888 PolarHBondContact O-N 3.34Å; D885-E888 PolarHBondContact O-N 2.8Å; E888-R890 PolarHBondContact O-N 3.26Å; E888-L891 WeakPolarHBondContact O-CA 3.23Å; E888-L891 VanDerWaalsContact O-CB 3.28Å; E888-L891 WeakPolarHBondContact O-CB 3.41Å; E888-L891 PolarHBondContact O-N 3.09Å; E888-E892 PolarHBondContact O-N 2.88Å; E888-E892 VanDerWaalsContact O-N 3.13Å
889Q90Very high87.3Confident138 Ų138101.9 Ų101.965%0.64551%0.511SS*.Hα-helixtrans-59.8-33.5173.6-169-179.831.900112.9D885 L891 D893D885-Q889 PolarHBondContact O-N 3.25Å; Q889-L891 VanDerWaalsContact C-N 3.34Å; Q889-D893 PolarHBondContact O-N 2.77Å
890R87Confident87.2Confident178 Ų178103.8 Ų103.867%0.67252%0.517SS*.Hα-helixtrans-73.4-24.9173.9-74.8174.6177.6-155.8-0.3113.3I886 V887 E888 L894I886-R890 WeakPolarHBondContact O-CG 3.49Å; I886-R890 PolarHBondContact O-N 3.11Å; V887-R890 PolarHBondContact O-N 3.44Å; E888-R890 PolarHBondContact O-N 3.26Å; R890-L894 PolarHBondContact O-N 2.67Å
891L86.7Confident87.2Confident97 Ų97103 Ų10351%0.50851%0.512SS..Hα-helixtrans-70.8-43.2174.1-166.368.7000110.1V887 E888 Q889 D893 L894 E895V887-L891 PolarHBondContact O-N 3.5Å; E888-L891 WeakPolarHBondContact O-CA 3.23Å; E888-L891 VanDerWaalsContact O-CB 3.28Å; E888-L891 WeakPolarHBondContact O-CB 3.41Å; E888-L891 PolarHBondContact O-N 3.09Å; Q889-L891 VanDerWaalsContact C-N 3.34Å; L891-D893 PolarHBondContact O-N 3.3Å; L891-L894 WeakPolarHBondContact O-CB 3.43Å; L891-L894 PolarHBondContact O-N 3.3Å; L891-L894 VanDerWaalsContact O-N 3.16Å; L891-E895 WeakPolarHBondContact O-CG 3.48Å; L891-E895 PolarHBondContact O-N 2.87Å
892E88.2Confident87Confident142 Ų142103.9 Ų103.966%0.66452%0.52SS*.Hα-helixtrans-60.6-42.3176.3-64.9-178157.700112.8E888 L894 E895 G896E888-E892 PolarHBondContact O-N 2.88Å; E888-E892 VanDerWaalsContact O-N 3.13Å; E892-L894 PolarHBondContact O-N 3.18Å; E892-E895 PolarHBondContact O-N 2.98Å; E892-G896 PolarHBondContact O-N 3.19Å
893D86.1Confident87Confident90 Ų90102.9 Ų102.948%0.48152%0.521SS..Hα-helixtrans-60.2-43.6172.5177.373.9000111.9Q889 L891 G896 R897Q889-D893 PolarHBondContact O-N 2.77Å; L891-D893 PolarHBondContact O-N 3.3Å; D893-G896 PolarHBondContact O-N 3.05Å; D893-R897 WeakPolarHBondContact O-CB 3.48Å; D893-R897 VanDerWaalsContact O-CG 3.23Å; D893-R897 WeakPolarHBondContact O-CG 3.44Å; D893-R897 PolarHBondContact O-N 2.96Å; D893-R897 VanDerWaalsContact OD2-CD 3.25Å; D893-R897 WeakPolarHBondContact OD2-CD 3.49Å; D893-R897 IonicContact OD2-NH1 3.88Å
894L82.8Confident87.1Confident94 Ų94104.2 Ų104.249%0.49252%0.521SS..Hα-helixtrans-64.9-41178.5-86.4163.9000112.1R890 L891 E892 R897 I898R890-L894 PolarHBondContact O-N 2.67Å; L891-L894 WeakPolarHBondContact O-CB 3.43Å; L891-L894 PolarHBondContact O-N 3.3Å; L891-L894 VanDerWaalsContact O-N 3.16Å; E892-L894 PolarHBondContact O-N 3.18Å; L894-R897 PolarHBondContact O-N 3.32Å; L894-I898 VanDerWaalsContact O-CG1 3.29Å; L894-I898 WeakPolarHBondContact O-CG1 3.39Å; L894-I898 PolarHBondContact O-N 3.45Å
895E87Confident87Confident111 Ų111103 Ų10352%0.51952%0.521SS..Hα-helixtrans-64.6-44.7175.1-71.9-175.3171.600111.7L891 E892 R897 I898 I899L891-E895 WeakPolarHBondContact O-CG 3.48Å; L891-E895 PolarHBondContact O-N 2.87Å; E892-E895 PolarHBondContact O-N 2.98Å; E895-R897 VanDerWaalsContact C-N 3.27Å; E895-R897 PolarHBondContact O-N 3.33Å; E895-I898 PolarHBondContact O-N 2.68Å; E895-I898 VanDerWaalsContact O-N 3.16Å; E895-I899 WeakPolarHBondContact O-CG1 3.18Å; E895-I899 PolarHBondContact O-N 3.04Å
896G86.6Confident86.7Confident36 Ų36104.4 Ų104.437%0.37153%0.526SS..Hα-helixtrans-58.1-38.3173.800000113.1E892 D893 I899 Q900E892-G896 PolarHBondContact O-N 3.19Å; D893-G896 PolarHBondContact O-N 3.05Å; G896-I899 PolarHBondContact O-N 3.3Å; G896-Q900 PolarHBondContact O-N 3.48Å; G896-Q900 VanDerWaalsContact O-N 3.17Å
897R85.8Confident86.7Confident140 Ų140103.7 Ų103.753%0.52853%0.525SS..Hα-helixtrans-74.8-29.9176.9-70171.666-171.60.5113.4D893 L894 E895 Q900 L901D893-R897 WeakPolarHBondContact O-CB 3.48Å; D893-R897 VanDerWaalsContact O-CG 3.23Å; D893-R897 WeakPolarHBondContact O-CG 3.44Å; D893-R897 PolarHBondContact O-N 2.96Å; D893-R897 VanDerWaalsContact OD2-CD 3.25Å; D893-R897 WeakPolarHBondContact OD2-CD 3.49Å; D893-R897 IonicContact OD2-NH1 3.88Å; L894-R897 PolarHBondContact O-N 3.32Å; E895-R897 VanDerWaalsContact C-N 3.27Å; E895-R897 PolarHBondContact O-N 3.33Å; R897-Q900 PolarHBondContact O-N 2.87Å; R897-L901 WeakPolarHBondContact O-CG 3.22Å; R897-L901 PolarHBondContact O-N 3.03Å
898I86.4Confident86.7Confident101 Ų101103.8 Ų103.852%0.51852%0.522SS..Hα-helixtrans-64.5-42.9170.2-72.8163.2000110.2L894 E895 Q900 L901 D902L894-I898 VanDerWaalsContact O-CG1 3.29Å; L894-I898 WeakPolarHBondContact O-CG1 3.39Å; L894-I898 PolarHBondContact O-N 3.45Å; E895-I898 PolarHBondContact O-N 2.68Å; E895-I898 VanDerWaalsContact O-N 3.16Å; I898-Q900 VanDerWaalsContact C-N 3.34Å; I898-Q900 PolarHBondContact O-N 3.06Å; I898-L901 PolarHBondContact O-N 3.41Å; I898-L901 VanDerWaalsContact O-N 3.12Å; I898-D902 PolarHBondContact O-N 2.79Å
899I89.3Confident86.5Confident124 Ų124104.5 Ų104.564%0.63652%0.524SS*.Hα-helixtrans-61.6-40.8176.5-65.2164.9000111.4E895 G896 S903E895-I899 WeakPolarHBondContact O-CG1 3.18Å; E895-I899 PolarHBondContact O-N 3.04Å; G896-I899 PolarHBondContact O-N 3.3Å; I899-S903 PolarHBondContact O-N 3.17Å
900Q86.2Confident86.4Confident134 Ų134103.6 Ų103.663%0.62652%0.519SS*.Hα-helixtrans-63.2-40.7172.5-74.9-171.8-1400112.8G896 R897 I898 S903 I904G896-Q900 PolarHBondContact O-N 3.48Å; G896-Q900 VanDerWaalsContact O-N 3.17Å; R897-Q900 PolarHBondContact O-N 2.87Å; I898-Q900 VanDerWaalsContact C-N 3.34Å; I898-Q900 PolarHBondContact O-N 3.06Å; Q900-S903 WeakPolarHBondContact O-CB 3.13Å; Q900-S903 PolarHBondContact O-N 3.25Å; Q900-I904 WeakPolarHBondContact O-CG1 3.22Å; Q900-I904 PolarHBondContact O-N 2.79Å; Q900-I904 VanDerWaalsContact O-N 3.14Å
901L84.3Confident86.4Confident106 Ų106100.5 Ų100.556%0.55551%0.513SS*.Hα-helixtrans-66.2-39.5178.5-77.2167.3000112.3R897 I898 S903 I904 V905R897-L901 WeakPolarHBondContact O-CG 3.22Å; R897-L901 PolarHBondContact O-N 3.03Å; I898-L901 PolarHBondContact O-N 3.41Å; I898-L901 VanDerWaalsContact O-N 3.12Å; L901-S903 VanDerWaalsContact C-N 3.31Å; L901-S903 PolarHBondContact O-N 2.68Å; L901-I904 PolarHBondContact O-N 2.72Å; L901-V905 WeakPolarHBondContact O-CB 3.41Å; L901-V905 VanDerWaalsContact O-CG2 3.31Å; L901-V905 WeakPolarHBondContact O-CG2 3.36Å; L901-V905 PolarHBondContact O-N 3.17Å
902D86Confident86.4Confident104 Ų104102.4 Ų102.456%0.55652%0.517SS*.Hα-helixtrans-65.7-34.9177.1-114.2-8.9000112.1I898 V905 Q906I898-D902 PolarHBondContact O-N 2.79Å; D902-V905 PolarHBondContact O-N 3.19Å; D902-Q906 WeakPolarHBondContact O-CB 3.21Å; D902-Q906 PolarHBondContact O-N 3.49Å
903S88.8Confident86.1Confident77 Ų7799 Ų9954%0.53851%0.509SS..Hα-helixtrans-60.2-49.7170.5-178.90000112I899 Q900 L901 V905 Q906 V907I899-S903 PolarHBondContact O-N 3.17Å; Q900-S903 WeakPolarHBondContact O-CB 3.13Å; Q900-S903 PolarHBondContact O-N 3.25Å; L901-S903 VanDerWaalsContact C-N 3.31Å; L901-S903 PolarHBondContact O-N 2.68Å; S903-V905 VanDerWaalsContact C-N 3.33Å; S903-V905 PolarHBondContact O-N 2.78Å; S903-Q906 WeakPolarHBondContact O-CB 3.28Å; S903-Q906 PolarHBondContact O-N 3.2Å; S903-Q906 VanDerWaalsContact O-N 3.09Å; S903-V907 PolarHBondContact O-N 3.39Å; S903-V907 VanDerWaalsContact O-N 3.08Å
904I88.6Confident86Confident95 Ų9597.5 Ų97.549%0.48751%0.509SS..Hα-helixtrans-62-41.4176.7-65.3165000111Q900 L901 Q906 V907 L908Q900-I904 WeakPolarHBondContact O-CG1 3.22Å; Q900-I904 PolarHBondContact O-N 2.79Å; Q900-I904 VanDerWaalsContact O-N 3.14Å; L901-I904 PolarHBondContact O-N 2.72Å; I904-Q906 VanDerWaalsContact C-N 3.26Å; I904-Q906 PolarHBondContact O-N 3.01Å; I904-V907 PolarHBondContact O-N 2.88Å; I904-L908 HydrophobicContact CG2-CD1 3.98Å; I904-L908 HydrophobicContact CG2-CG 4.47Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 2.85Å
905V87.3Confident85.8Confident63 Ų6398.1 Ų98.138%0.38251%0.512SS..Hα-helixtrans-64-30.7175.8162.90000111.8L901 D902 S903 K909L901-V905 WeakPolarHBondContact O-CB 3.41Å; L901-V905 VanDerWaalsContact O-CG2 3.31Å; L901-V905 WeakPolarHBondContact O-CG2 3.36Å; L901-V905 PolarHBondContact O-N 3.17Å; D902-V905 PolarHBondContact O-N 3.19Å; S903-V905 VanDerWaalsContact C-N 3.33Å; S903-V905 PolarHBondContact O-N 2.78Å; V905-K909 VanDerWaalsContact O-CG 3.31Å; V905-K909 WeakPolarHBondContact O-CG 3.43Å; V905-K909 PolarHBondContact O-N 3.2Å; V905-K909 VanDerWaalsContact O-N 3.17Å
906Q84.8Confident85.4Confident94 Ų9497.8 Ų97.844%0.43951%0.514SS..Hα-helixtrans-70.9-46.5174-162.371.2-3.900111.7D902 S903 I904 L908 K909 E910D902-Q906 WeakPolarHBondContact O-CB 3.21Å; D902-Q906 PolarHBondContact O-N 3.49Å; S903-Q906 WeakPolarHBondContact O-CB 3.28Å; S903-Q906 PolarHBondContact O-N 3.2Å; S903-Q906 VanDerWaalsContact O-N 3.09Å; I904-Q906 VanDerWaalsContact C-N 3.26Å; I904-Q906 PolarHBondContact O-N 3.01Å; Q906-L908 VanDerWaalsContact C-N 3.3Å; Q906-L908 PolarHBondContact O-N 3.44Å; Q906-K909 WeakPolarHBondContact O-CB 3.35Å; Q906-K909 PolarHBondContact O-N 3.42Å; Q906-E910 PolarHBondContact O-N 3.04Å; Q906-E910 VanDerWaalsContact O-N 3.15Å
907V88.9Confident85Confident73 Ų7398.7 Ų98.744%0.44252%0.517SS..Hα-helixtrans-57.2-43.4173.7176.70000111.1S903 I904 K909 E910 E911S903-V907 PolarHBondContact O-N 3.39Å; S903-V907 VanDerWaalsContact O-N 3.08Å; I904-V907 PolarHBondContact O-N 2.88Å; V907-K909 VanDerWaalsContact C-N 3.29Å; V907-K909 PolarHBondContact O-N 3.46Å; V907-E910 WeakPolarHBondContact O-CB 3.36Å; V907-E910 PolarHBondContact O-N 2.84Å; V907-E911 PolarHBondContact O-N 3.39Å
908L81.8Confident84.6Confident92 Ų9293.7 Ų93.748%0.48251%0.506SS..Hα-helixtrans-66.8-24.4177-69.9170.2000113.8I904 Q906 K912I904-L908 HydrophobicContact CG2-CD1 3.98Å; I904-L908 HydrophobicContact CG2-CG 4.47Å; I904-L908 WeakPolarHBondContact O-CG 3.47Å; I904-L908 PolarHBondContact O-N 2.85Å; Q906-L908 VanDerWaalsContact C-N 3.3Å; Q906-L908 PolarHBondContact O-N 3.44Å; L908-K912 VanDerWaalsContact O-CB 3.24Å; L908-K912 WeakPolarHBondContact O-CB 3.43Å; L908-K912 PolarHBondContact O-N 2.99Å; L908-K912 VanDerWaalsContact O-N 3.09Å
909K84.4Confident83.8Confident105 Ų10595.5 Ų95.546%0.45751%0.51SS..Hα-helixtrans-72.2-36.6169.7-70164.4-153.9157.80111.2V905 Q906 V907 K912 S913V905-K909 VanDerWaalsContact O-CG 3.31Å; V905-K909 WeakPolarHBondContact O-CG 3.43Å; V905-K909 PolarHBondContact O-N 3.2Å; V905-K909 VanDerWaalsContact O-N 3.17Å; Q906-K909 WeakPolarHBondContact O-CB 3.35Å; Q906-K909 PolarHBondContact O-N 3.42Å; V907-K909 VanDerWaalsContact C-N 3.29Å; V907-K909 PolarHBondContact O-N 3.46Å; K909-K912 PolarHBondContact O-N 2.81Å; K909-S913 PolarHBondContact O-N 3.44Å
910E86.8Confident83.1Confident119 Ų11994.7 Ų94.756%0.55652%0.516SS*.Hα-helixtrans-71.1-43177.4-67.9174.1-169.700111.4Q906 V907 K912 S913 A914Q906-E910 PolarHBondContact O-N 3.04Å; Q906-E910 VanDerWaalsContact O-N 3.15Å; V907-E910 WeakPolarHBondContact O-CB 3.36Å; V907-E910 PolarHBondContact O-N 2.84Å; E910-K912 VanDerWaalsContact C-N 3.3Å; E910-K912 PolarHBondContact O-N 3.28Å; E910-S913 PolarHBondContact O-N 3.13Å; E910-S913 PolarHBondContact O-OG 2.99Å; E910-A914 WeakPolarHBondContact O-CB 3.37Å; E910-A914 PolarHBondContact O-N 2.9Å
911E87.9Confident82.3Confident113 Ų11391.5 Ų91.553%0.52851%0.512SS..Hα-helixtrans-60-40.8170-70-168.7154.800111.8V907 A914 L915V907-E911 PolarHBondContact O-N 3.39Å; E911-A914 PolarHBondContact O-N 2.83Å; E911-L915 WeakPolarHBondContact O-CB 3.44Å; E911-L915 PolarHBondContact O-N 3.46Å
912K85.9Confident80.8Confident138 Ų13889.4 Ų89.460%0.652%0.516SS*.Hα-helixtrans-65.9-39.1176.1-178.4177.2176.9-179.80112.6L908 K909 E910 L915 L916L908-K912 VanDerWaalsContact O-CB 3.24Å; L908-K912 WeakPolarHBondContact O-CB 3.43Å; L908-K912 PolarHBondContact O-N 2.99Å; L908-K912 VanDerWaalsContact O-N 3.09Å; K909-K912 PolarHBondContact O-N 2.81Å; E910-K912 VanDerWaalsContact C-N 3.3Å; E910-K912 PolarHBondContact O-N 3.28Å; K912-L915 PolarHBondContact O-N 3.24Å; K912-L916 HydrophobicContact CG-CD1 4.18Å; K912-L916 WeakPolarHBondContact O-CB 3.46Å; K912-L916 VanDerWaalsContact O-CG 3.32Å; K912-L916 WeakPolarHBondContact O-CG 3.39Å; K912-L916 PolarHBondContact O-N 2.9Å
913S83.6Confident78.9Confident70 Ų7091.7 Ų91.749%0.4953%0.525SS..Hα-helixtrans-70.7-38.3177.571.50000111.2K909 E910 L916 A917K909-S913 PolarHBondContact O-N 3.44Å; E910-S913 PolarHBondContact O-N 3.13Å; E910-S913 PolarHBondContact O-OG 2.99Å; S913-L916 PolarHBondContact O-N 3.2Å; S913-A917 WeakPolarHBondContact O-CB 3.31Å; S913-A917 PolarHBondContact O-N 3.33Å
914A83.3Confident76.7Confident59 Ų5991.9 Ų91.949%0.48852%0.523SS..Hα-helixtrans-62.5-42.2171.700000112.4E910 E911 A917 A918E910-A914 WeakPolarHBondContact O-CB 3.37Å; E910-A914 PolarHBondContact O-N 2.9Å; E911-A914 PolarHBondContact O-N 2.83Å; A914-A917 PolarHBondContact O-N 2.85Å; A914-A918 WeakPolarHBondContact O-CB 3.46Å; A914-A918 PolarHBondContact O-N 3.4Å
915L79.3Confident74.4Confident106 Ų10695.3 Ų95.356%0.55554%0.539SS*.Hα-helixtrans-63.7-43173.6-87.7163.5000112.3E911 K912 A917 A918 F919E911-L915 WeakPolarHBondContact O-CB 3.44Å; E911-L915 PolarHBondContact O-N 3.46Å; K912-L915 PolarHBondContact O-N 3.24Å; L915-A917 VanDerWaalsContact C-N 3.32Å; L915-A917 PolarHBondContact O-N 3.36Å; L915-A918 PolarHBondContact O-N 3.33Å; L915-F919 WeakPolarHBondContact O-CD2 3.45Å; L915-F919 PolarHBondContact O-N 3.08Å
916L77.8Confident71.8Confident105 Ų10598.8 Ų98.855%0.5556%0.56SS.*Hα-helixtrans-63.8-38.2175.1-75.2167.9000111.8K912 S913 F919 S920K912-L916 HydrophobicContact CG-CD1 4.18Å; K912-L916 WeakPolarHBondContact O-CB 3.46Å; K912-L916 VanDerWaalsContact O-CG 3.32Å; K912-L916 WeakPolarHBondContact O-CG 3.39Å; K912-L916 PolarHBondContact O-N 2.9Å; S913-L916 PolarHBondContact O-N 3.2Å; L916-F919 PolarHBondContact O-N 3.47Å; L916-S920 PolarHBondContact O-N 3.25Å; L916-S920 PolarHBondContact O-OG 3.08Å
917A78.7Confident69.1Low54 Ų54102.2 Ų102.245%0.44658%0.576SS.*Hα-helixtrans-65.5-40.9173.100000112.3S913 A914 L915 F919 S920 A921S913-A917 WeakPolarHBondContact O-CB 3.31Å; S913-A917 PolarHBondContact O-N 3.33Å; A914-A917 PolarHBondContact O-N 2.85Å; L915-A917 VanDerWaalsContact C-N 3.32Å; L915-A917 PolarHBondContact O-N 3.36Å; A917-F919 VanDerWaalsContact C-N 3.35Å; A917-F919 PolarHBondContact O-N 2.85Å; A917-S920 WeakPolarHBondContact CA-OG 3.26Å; A917-S920 PolarHBondContact O-N 3.32Å; A917-S920 PolarHBondContact O-OG 2.94Å; A917-A921 VanDerWaalsContact O-CB 3.24Å; A917-A921 WeakPolarHBondContact O-CB 3.36Å; A917-A921 PolarHBondContact O-N 3.37Å
918A77.4Confident66.3Low36 Ų36105.4 Ų105.430%0.29859%0.591SS.*Hα-helixtrans-65-37.7175.200000112.4A914 L915 G922 M923A914-A918 WeakPolarHBondContact O-CB 3.46Å; A914-A918 PolarHBondContact O-N 3.4Å; L915-A918 PolarHBondContact O-N 3.33Å; A918-G922 PolarHBondContact O-N 3.13Å; A918-M923 PolarHBondContact O-N 3.36Å
919F69.1Low63.7Low138 Ų138106.7 Ų106.761%0.60560%0.604SS**Hα-helixtrans-66-44.4172.6-95.8-75.4000112.4L915 L916 A917 A921 G922 V924L915-F919 WeakPolarHBondContact O-CD2 3.45Å; L915-F919 PolarHBondContact O-N 3.08Å; L916-F919 PolarHBondContact O-N 3.47Å; A917-F919 VanDerWaalsContact C-N 3.35Å; A917-F919 PolarHBondContact O-N 2.85Å; F919-A921 VanDerWaalsContact C-N 3.31Å; F919-A921 PolarHBondContact O-N 3.38Å; F919-G922 PolarHBondContact O-N 2.89Å; F919-V924 HydrophobicContact CD1-CG2 4.33Å; F919-V924 HydrophobicContact CE1-CG2 4.09Å; F919-V924 HydrophobicContact CZ-CG2 4.2Å
920S73.8Confident60.9Low108 Ų108108.9 Ų108.976%0.75562%0.62SS**Hα-helixtrans-69.8-27.6177.365.60000113L916 A917 G922L916-S920 PolarHBondContact O-N 3.25Å; L916-S920 PolarHBondContact O-OG 3.08Å; A917-S920 WeakPolarHBondContact CA-OG 3.26Å; A917-S920 PolarHBondContact O-N 3.32Å; A917-S920 PolarHBondContact O-OG 2.94Å; S920-G922 PolarHBondContact O-N 3.24Å
921A70.4Confident57.9Low67 Ų67112.8 Ų112.855%0.55464%0.635SS**THydrogen-bonded Turntrans-76.4-0.1169.200000114A917 F919 M923A917-A921 VanDerWaalsContact O-CB 3.24Å; A917-A921 WeakPolarHBondContact O-CB 3.36Å; A917-A921 PolarHBondContact O-N 3.37Å; F919-A921 VanDerWaalsContact C-N 3.31Å; F919-A921 PolarHBondContact O-N 3.38Å; A921-M923 HydrophobicContact CB-CG 4.09Å; A921-M923 PolarHBondContact O-N 3.42Å
922G53Low55Low61 Ų61115 Ų11563%0.62965%0.649SS**THydrogen-bonded Turntrans69.215.5178.700000115A918 F919 S920 V924A918-G922 PolarHBondContact O-N 3.13Å; F919-G922 PolarHBondContact O-N 2.89Å; S920-G922 PolarHBondContact O-N 3.24Å; G922-V924 PolarHBondContact O-N 3.19Å
923M44.6Very low52.2Low153 Ų153113 Ų11375%0.75465%0.652SS**  trans-83.546.6-171.1-65.4-161.571.600114A918 A921A918-M923 PolarHBondContact O-N 3.36Å; A921-M923 HydrophobicContact CB-CG 4.09Å; A921-M923 PolarHBondContact O-N 3.42Å
924V43.3Very low49.4Very low81 Ų81114.2 Ų114.249%0.49166%0.66SS.*  trans-132.3101.1171.7-174.20000110.4F919 G922 V926F919-V924 HydrophobicContact CD1-CG2 4.33Å; F919-V924 HydrophobicContact CE1-CG2 4.09Å; F919-V924 HydrophobicContact CZ-CG2 4.2Å; G922-V924 PolarHBondContact O-N 3.19Å; V924-V926 PolarHBondContact O-N 3.36Å
925M40.6Very low46.7Very low166 Ų166118.4 Ų118.482%0.81867%0.674SS**  trans-65.2126.2164.6-80.9-86.3-77.200109.3H927M925-H927 PolarHBondContact O-N 3.47Å
926V31.9Very low44.3Very low137 Ų137118 Ų11883%0.8368%0.68SS**  trans-69.699.1176.9-178.40000109.4V924 N928V924-V926 PolarHBondContact O-N 3.36Å; V926-N928 PolarHBondContact O-N 2.8Å
927H29.6Very low41.9Very low166 Ų166120.1 Ų120.177%0.76969%0.692SS**  trans-68.2113.1166.2-92.2-93000109.6M925M925-H927 PolarHBondContact O-N 3.47Å
928N29Very low39.5Very low140 Ų140122.5 Ų122.575%0.74971%0.705SS**  trans-53.3139.3169.6-123.3-8.4000109.5V926 L930V926-N928 PolarHBondContact O-N 2.8Å; N928-L930 PolarHBondContact O-N 3.43Å
929P27.7Very low37.1Very low119 Ų119129.3 Ų129.377%0.77373%0.731SS**  trans-65112.1-177.326.1-33.6000110.2K931P929-K931 PolarHBondContact O-N 3.29Å
930L25.3Very low35Very low150 Ų150131.3 Ų131.379%0.78574%0.742SS**  trans-62.6119175.2-79.1168.4000109.6N928 I932N928-L930 PolarHBondContact O-N 3.43Å; L930-I932 PolarHBondContact O-N 2.78Å
931K24.3Very low33.3Very low201 Ų201130.6 Ų130.687%0.87474%0.735SS**  trans-59.5117.6159.9-77.4-177.8174.4-178.80107.8P929P929-K931 PolarHBondContact O-N 3.29Å
932I26.4Very low31.3Very low159 Ų159133.6 Ų133.682%0.81575%0.747SS**  trans-111.287162.3-58179.8000106.5L930L930-I932 PolarHBondContact O-N 2.78Å
933S27.2Very low30Very low96 Ų96135 Ų13567%0.67175%0.747SS**  trans-84.3153.5152.2500000108.7
934C23.8Very low29.2Very low97 Ų97134.1 Ų134.166%0.65575%0.746SS**  trans-50.4148.2169.552.70000112.9
935D27.8Very low28.7Very low147 Ų147135.5 Ų135.579%0.78675%0.754SS**  -166.7-170.285-87.7-45.9000110.6
936S28.4Very low28.2Very low97 Ų97133.5 Ų133.568%0.67875%0.752SS**  trans-107161-145.9-48.40000117.8
937D26.8Very low28.1Very low150 Ų150132.1 Ų132.180%0.80274%0.744SS**  trans67.1134.2141.2-65.9-35000124.8
938S28.3Very low28.1Very low103 Ų103130.7 Ų130.772%0.7275%0.747SS**  trans77.7103144.462.40000121.8
939Q28.2Very low28.1Very low180 Ų180128.1 Ų128.184%0.84175%0.745SS**  45.2122.7123.8-63.3173.6-3.100119.8
940Q25.5Very low28Very low179 Ų179129 Ų12984%0.83675%0.748SS**  65.315164.6-80.6-153.6-27.400115.7
941P36.4Very low28.1Very low94 Ų94126.5 Ų126.561%0.6174%0.743SS**  cis-143.6-147.3-3739.7-19.4000111.9
942T28Very low28.2Very low129 Ų129124 Ų12479%0.79175%0.745SS**  trans90.7140163.470.50000118.5
943S27Very low28.2Very low92 Ų92120.1 Ų120.164%0.64374%0.744SS**  cis-162.3-160.9-21.352.80000109.9
944D28.3Very low28.1Very low134 Ų134121.5 Ų121.572%0.71775%0.748SS**  trans80.2130.6161.2-61.314.5000117.7
945T32Very low28.2Very low109 Ų109127.6 Ų127.667%0.66976%0.759SS**  cis-160.1148.3-12.88.50000110.4
946T29.5Very low28.1Very low125 Ų125124.9 Ų124.977%0.76775%0.751SS**  trans54.9152.3148.458.60000121.6
947T30.2Very low28.1Very low108 Ų108125.8 Ų125.866%0.66376%0.757SS**  cis-173.4147-13.2-88.80000108.6
948T29.2Very low28.3Very low136 Ų136127.9 Ų127.983%0.83476%0.759SS**  trans61.8152168.847.90000119.1
949A29Very low28.1Very low86 Ų86131.6 Ų131.671%0.71177%0.77SS**  cis-160178.7-10.900000111.8
950T27.1Very low28.2Very low136 Ų136132.3 Ų132.383%0.83477%0.77SS**  trans-47.9162.5167.715.80000115.6
951S27.4Very low28.3Very low99 Ų99127.9 Ų127.969%0.69277%0.765SS**  cis-159.5163.88.144.20000113.6
952V25Very low28.1Very low148 Ų148130.7 Ų130.790%0.89777%0.773SS**  trans31.6119.4148.2-177.80000119.7
953G27.3Very low28.2Very low77 Ų77134.2 Ų134.279%0.79478%0.777SS**  trans-171.2128.9162.600000114.4
954V25.3Very low28.2Very low125 Ų125132.9 Ų132.976%0.75878%0.778SS**  trans-96.9133.8175.6173.10000109.7
955Y25.2Very low27.9Very low226 Ų226132 Ų13289%0.88678%0.783SS**  -179.4154.5123.2-108-74.7000113.7
956S26.5Very low27.9Very low89 Ų89135.9 Ų135.962%0.62279%0.793SS**  trans-121.5148.2176.3-179.10000111.3
957S28.7Very low27.7Very low116 Ų116136.5 Ų136.581%0.81180%0.797SS**  trans-160.599.9160.8-780000108
958K30.6Very low28.1Very low195 Ų195136.7 Ų136.785%0.84880%0.8SS**  56.4119.270.4-74.4-168.8172.31790114.9
959L24.5Very low27.9Very low180 Ų180137.7 Ų137.794%0.94280%0.799SS**  trans-70.1155.7161.9-135.974.5000110.5
960K29.5Very low27.9Very low195 Ų195140.1 Ų140.185%0.84881%0.805SS**  trans-104.6139.4-177.8-92.4179.2175.9173.30112.8
961A27.7Very low27.9Very low87 Ų87140.7 Ų140.772%0.71980%0.798SS**  40.9149.4124.100000120
962I32.3Very low27.7Very low152 Ų152146.2 Ų146.278%0.77981%0.805SS**  -155.7137.263.7-79.6163.9000113
963K29.3Very low27.5Very low203 Ų203146 Ų14688%0.88380%0.795SS**  trans16.7149.5149.4-53.8-179.3178.4-174.10121.7
964G26.6Very low27.2Very low64 Ų64152.8 Ų152.866%0.6680%0.796SS**  cis162-173-3.200000115.3
965S23.9Very low27.1Very low117 Ų117154.3 Ų154.382%0.81880%0.8SS**  trans55.3110.5167.4580000120.8
966E30.7Very low27.2Very low190 Ų190155.2 Ų155.289%0.88880%0.804SS**  -170.4-178.2102.7-101.1176.6-166.200111.8
967T25.5Very low27.2Very low137 Ų137158.2 Ų158.284%0.8481%0.808SS**  trans-104.2169.7-157.830.10000116.1
968P39.2Very low27.2Very low112 Ų112160.6 Ų160.673%0.72780%0.804SS**  trans-123.9-130.7-148.145.7-32.4000116.2
969L23.9Very low27Very low158 Ų158159.2 Ų159.283%0.82781%0.806SS**  trans81.5147.4-161.9-72.691.4000113.8
970T29.1Very low27.3Very low137 Ų137159.1 Ų159.184%0.8480%0.801SS**  cis-107.3152.818.352.10000116.6
971H27.3Very low27.2Very low148 Ų148158.7 Ų158.769%0.68580%0.801SS**  trans-119.6154.7176.1-177.8-114.7000110Q973H971-Q973 PolarHBondContact CE1-O 3.41Å; H971-Q973 VanDerWaalsContact CE1-O 3.24Å; H971-Q973 PolarHBondContact ND1-N 3.05Å; H971-Q973 PolarHBondContact ND1-O 2.97Å
972Y22.8Very low27.2Very low214 Ų214162.5 Ų162.584%0.83981%0.81SS**  trans-134.170.6170.9-106.8-65000111.6
973Q22.3Very low27.1Very low144 Ų144159.1 Ų159.167%0.67381%0.813SS**SBendtrans-149.7139.1147.3-171.674.413.700104.7H971H971-Q973 PolarHBondContact CE1-O 3.41Å; H971-Q973 VanDerWaalsContact CE1-O 3.24Å; H971-Q973 PolarHBondContact ND1-N 3.05Å; H971-Q973 PolarHBondContact ND1-O 2.97Å
974W21.5Very low27.1Very low219 Ų219157.1 Ų157.183%0.8381%0.811SS**  trans-93130.8177.9-72.359.1000108.7
975D22.8Very low27.2Very low157 Ų157164.9 Ų164.984%0.8482%0.821SS**  trans-178.4116.7148-90-27.9000108.4
976Y26.3Very low27.3Very low246 Ų246164.4 Ų164.497%0.96581%0.813SS**  trans-150.8126.7164-109.4-76.4000107.9
977E26.5Very low27.2Very low151 Ų151164.9 Ų164.971%0.70681%0.808SS**  trans-104.8155.3-175.3-136.9-170-146.200111.2
978K29Very low27.5Very low166 Ų166161.2 Ų161.272%0.72280%0.797SS**  trans72.394.9164.3-68.4167.5178.8127.10118.8
979D27.6Very low27.1Very low167 Ų167164 Ų16489%0.89380%0.8SS**  -72.2161.9120.3-68.1-57.8000109.9
980E29.9Very low27.1Very low178 Ų178165.2 Ų165.283%0.83280%0.802SS**  trans-104.9167.4-177.4-60.9-173117.200113.7
981E27.5Very low27.3Very low185 Ų185166.3 Ų166.386%0.86480%0.801SS**  trans76.9152.1163.8-56.4-168.2135.200120.5
982D27Very low27.4Very low168 Ų168164.7 Ų164.790%0.89880%0.802SS**  trans53.969.9170.1-70.2-8.4000120.7
983G31.1Very low27.6Very low81 Ų81161.1 Ų161.184%0.83580%0.797SS**  trans-135.641.417100000115.1R985G983-R985 PolarHBondContact O-N 3.21Å
984N28.7Very low27.9Very low160 Ų160162 Ų16286%0.85681%0.806SS**  trans-75.2104.4-163.1-168.817.7000115.6
985R28.6Very low28.4Very low228 Ų228154.9 Ų154.986%0.8680%0.802SS**  trans-156.7128.8149.6-150.9168.3-170.8150.93.7114.8G983G983-R985 PolarHBondContact O-N 3.21Å
986V27.2Very low28.9Very low107 Ų107156.3 Ų156.365%0.64880%0.803SS**  trans-134.4160.4169.9-172.80000108.1
987Y27.9Very low28.9Very low200 Ų200152.4 Ų152.478%0.78479%0.794SS**  trans73.3146.9179.1-55.7-81000116.6
988G32.2Very low29.4Very low60 Ų60153.7 Ų153.762%0.61980%0.799SS**  cis-102.8164.8-5.600000113.2
989E30.2Very low29.4Very low169 Ų169153.9 Ų153.979%0.7980%0.803SS**  59.6101.572-63.2178.4135.100111
990E24.8Very low29.5Very low185 Ų185152.6 Ų152.686%0.86480%0.796SS**  5411680.3-72.8-160.2162.200114.3
991I32.8Very low29.7Very low159 Ų159152.2 Ų152.282%0.81580%0.8SS**  trans-172.8120.6132.8-97.2154.7000110.5
992T29.9Very low29.9Very low115 Ų115151.8 Ų151.871%0.70680%0.797SS**  trans14139.4158.5660000123.4
993D26.8Very low30.1Very low138 Ų138150 Ų15074%0.73879%0.793SS**  trans23.9132.7136.9-61.8-40.8000121
994N28.6Very low30.3Very low162 Ų162149.6 Ų149.687%0.86679%0.788SS**  177.813798.2-94.6-73.9000113
995G31.4Very low30.4Very low71 Ų71150.9 Ų150.973%0.73279%0.789SS**  trans74156.8160.800000117.9
996E33.3Very low30.5Very low187 Ų187146.6 Ų146.687%0.87479%0.788SS**  cis-156.1147.1-9.8-117.8169.7176.400109
997E26.5Very low30.7Very low163 Ų163145 Ų14576%0.76279%0.793SS**  trans-81.6133170.3-68.7-177.7153.800109.6R764R764-E997 IonicContact NH2-OE2 3.49Å; R764-E997 PolarHBondContact NH2-OE2 2.72Å
998H36.6Very low31Very low178 Ų178140.1 Ų140.182%0.82479%0.794SS**  trans-152.6101.8164.8-116.4-52.5000113.9
999E29.8Very low30.8Very low170 Ų170145.3 Ų145.379%0.79480%0.802SS**  trans-102.2162.1144.5-59.3175.4142.800105.4
1000D29.4Very low30.9Very low141 Ų141146.6 Ų146.675%0.75481%0.808SS**  cis-133.6164.84.3-63.7-82.9000109.6
1001D33.7Very low31.1Very low170 Ų170146.2 Ų146.291%0.90980%0.8SS**  -176.7139.8123.5-106.8-23.5000113.1
1002E31.5Very low31Very low175 Ų175148.4 Ų148.482%0.81880%0.804SS**  trans-93.3152.7174.9-147-175.2-175.800108.3
1003V32.2Very low31.1Very low132 Ų132148.9 Ų148.980%0.880%0.802SS**  -179.614862.8175.60000107.8
1004G33.7Very low31.2Very low72 Ų72149.8 Ų149.874%0.74281%0.807SS**  trans155.4110.8154.300000119
1005E30.8Very low31.2Very low187 Ų187149.8 Ų149.887%0.87481%0.807SS**  trans-70.4168.5164.3-56.7176.596.300111.8
1006V31.8Very low31.2Very low137 Ų137152.5 Ų152.583%0.8382%0.815SS**  cis-153.1150.819.8-1440000109.7
1007G32.1Very low31Very low73 Ų73152.3 Ų152.375%0.75381%0.814SS**  trans177.386.4169.900000119.3
1008A33.1Very low31.1Very low98 Ų98154.9 Ų154.981%0.8182%0.818SS**  trans56.289154.200000119.8
1009E28.3Very low30.7Very low170 Ų170152.7 Ų152.779%0.79481%0.813SS**  trans16.1121.3131.5-58.2176.6165.200119.4
1010Q31.1Very low30.4Very low196 Ų196152.1 Ų152.192%0.91681%0.812SS**  trans-141.394147.7-165161.825.500111.1
1011Y29.3Very low30.2Very low176 Ų176152 Ų15269%0.6981%0.807SS**  trans-60.5129-178.6-89.4-94.1000113.7D1013Y1011-D1013 WeakPolarHBondContact CD1-OD2 3.38Å; Y1011-D1013 WeakPolarHBondContact CE1-OD2 3.39Å
1012K31.4Very low29.8Very low205 Ų205153.3 Ų153.389%0.89180%0.799SS**  trans-15493.5144.3-81.3-156.3177.8-174.50108.7
1013D31.8Very low29.6Very low126 Ų126151.4 Ų151.467%0.67480%0.799SS**  trans-95.4138.8171.9-51.3-49.4000109.6Y1011Y1011-D1013 WeakPolarHBondContact CD1-OD2 3.38Å; Y1011-D1013 WeakPolarHBondContact CE1-OD2 3.39Å
1014D29.6Very low29.3Very low156 Ų156151.7 Ų151.783%0.83479%0.794SS**  trans-107.6177.7161.6-80.4-55.9000108.8
1015D27.6Very low28.9Very low162 Ų162154.4 Ų154.487%0.86680%0.796SS**  trans68.594.4173.3-62.7-19.3000119.1
1016S31.1Very low28.7Very low128 Ų128150.5 Ų150.590%0.89580%0.796SS**  trans-159111.9130.928.10000111.6
1017E29.4Very low28.4Very low183 Ų183147.8 Ų147.886%0.85580%0.796SS**  trans-102157.8173.4-175.3173.7-166.900110.9
1018Y28.5Very low28.2Very low217 Ų217148.3 Ų148.385%0.85180%0.801SS**  trans96.4120.3-166.4-63.1-72.2000112.1
1019D27.6Very low28.1Very low133 Ų133149.5 Ų149.571%0.71180%0.803SS**  cis-149.7-176.533.6-151.1-15.8000113.7
1020M23.5Very low27.9Very low157 Ų157148.9 Ų148.977%0.77381%0.806SS**  trans-83.3172.2-175.6-57165.7-81.600112.4
1021E26.1Very low27.8Very low140 Ų140145.2 Ų145.265%0.65479%0.793SS**  cis-161.5155.518.2-147.3-153.6151.400113.8
1022R25.2Very low27.9Very low196 Ų196144.9 Ų144.974%0.7480%0.795SS**  trans69.6112.4140.6-166.1179.5-64.8-149.64.4122.7
1023V27.4Very low27.7Very low136 Ų136140.1 Ų140.182%0.82479%0.787SS**  trans-166.9149.5150.91320000110
1024I26.4Very low27.5Very low137 Ų137138.8 Ų138.870%0.70379%0.788SS**  cis-161.7137.8-39.7-127.8177.5000112.5
1025V25.8Very low27.5Very low129 Ų129138.6 Ų138.678%0.78279%0.786SS**  trans60.9128.1153174.40000124.4
1026A25.7Very low27.6Very low105 Ų105135.7 Ų135.787%0.86879%0.785SS**  trans80.2143.614800000123.1
1027G26.1Very low27.4Very low80 Ų80132.7 Ų132.783%0.82578%0.775SS**  trans177.6-5.3168.400000122.9
1028G27.2Very low27.4Very low84 Ų84132 Ų13287%0.86678%0.777SS**  trans79.2168.8-178.800000114.8
1029S31.6Very low27.3Very low123 Ų123133 Ų13386%0.8678%0.78SS**  cis-133165.37.559.20000111.8
1030N23.7Very low27.4Very low157 Ų157131.5 Ų131.584%0.8479%0.787SS**  trans-156.5139.4-172.1-138.5-8.6000109.2
1031D29.6Very low27.6Very low120 Ų120133.6 Ų133.664%0.64280%0.797SS**  trans-163.7125.4153.4-115.67.5000115.5
1032K29.9Very low27.9Very low169 Ų169130.5 Ų130.574%0.73580%0.803SS**  trans38.1143.6135.7-55.2169.5-171.7108.40120.2
1033S26.9Very low27.9Very low104 Ų104126.9 Ų126.973%0.72781%0.808SS**  cis-173.5158.1-1458.50000106.6
1034S28.7Very low27.9Very low99 Ų99127.8 Ų127.869%0.69280%0.803SS**  168.4177.662.549.20000110.6
1035N30.2Very low28.1Very low151 Ų151127.3 Ų127.381%0.80781%0.81SS**  trans69.993.8164.2-78.510.6000122.3
1036A29.2Very low28.3Very low102 Ų102127.9 Ų127.984%0.84381%0.808SS**  64.7119.6109.600000122.6
1037G26Very low28.4Very low65 Ų65129.8 Ų129.867%0.6780%0.803SS**  trans108.598.5131.300000118.5
1038N31.2Very low28.6Very low168 Ų168131.6 Ų131.690%0.89880%0.803SS**  179.1161113.1-91-33.2000113.2
1039Y24.6Very low28.5Very low237 Ų237131.4 Ų131.493%0.92980%0.802SS**  trans-85.9139.7-177.9-71.9-106.3000112.5
1040A30.1Very low28.5Very low103 Ų103129.8 Ų129.885%0.85179%0.786SS**  trans-150.1134.3158.400000109.7
1041M27.6Very low28.8Very low201 Ų201129.1 Ų129.199%0.9978%0.782SS**  trans-86.4134174.7-74.4-169.4171.300110.9
1042G32Very low29Very low75 Ų75130.9 Ų130.977%0.77379%0.791SS**  trans-93.1126.6-17900000113.5H1044G1042-H1044 PolarHBondContact O-N 2.75Å
1043S26.6Very low28.8Very low120 Ų120134.3 Ų134.384%0.83980%0.799SS**  trans-84.775.5171.955.40000111.6
1044H27.7Very low29.1Very low155 Ų155137.5 Ų137.572%0.71880%0.802SS**  trans-141.270-179.8-100.3-79.6000112.2G1042G1042-H1044 PolarHBondContact O-N 2.75Å
1045C29Very low29.1Very low126 Ų126136.3 Ų136.385%0.85181%0.806SS**  trans-154.937.2-177.8-95.40000114.5
1046L30.2Very low29.1Very low142 Ų142135.4 Ų135.474%0.74380%0.8SS**  trans-131.8-20.9175.5-78178.5000116.7S1048L1046-S1048 PolarHBondContact O-N 2.85Å
1047D28.4Very low29.2Very low144 Ų144138.7 Ų138.777%0.7780%0.802SS**  trans-89.286.6175.9-68.9-42.3000112.5
1048S30.3Very low29.4Very low118 Ų118142.7 Ų142.783%0.82581%0.807SS**  trans-172.8104157.3-820000109.3L1046L1046-S1048 PolarHBondContact O-N 2.85Å
1049G25.9Very low29.4Very low81 Ų81146.8 Ų146.884%0.83581%0.81SS**  trans-125.313.3-168.200000116.1
1050V30.3Very low29.6Very low88 Ų88139 Ų13953%0.53380%0.801SS.*  trans-133.6140.4-172.6174.80000110.8P109P109-V1050 HydrophobicContact CB-CG1 4.18Å; P109-V1050 HydrophobicContact CG-CG1 4.07Å
1051L30.6Very low29.5Very low144 Ų144140 Ų14075%0.75480%0.802SS**  trans63.9110.4-179.4-67.2168.6000117.6
1052L33.7Very low29.7Very low157 Ų157142.4 Ų142.482%0.82280%0.8SS**  -167.8121.691.5-99.9172.1000112.1
1053R26.4Very low29.4Very low240 Ų240142.9 Ų142.991%0.90680%0.804SS**  trans-82.8116.4147.1-89.1-171.4172.2-142.6-3.5106.6
1054Q32.3Very low29.5Very low171 Ų171141 Ų14180%0.79980%0.804SS**  trans-156.6128.1146.9-156.364.82.400109
1055G28.4Very low29.6Very low75 Ų75139.2 Ų139.277%0.77381%0.809SS**  trans-71.9140.7-173.700000113.1
1056I31.3Very low29.9Very low132 Ų132139.4 Ų139.468%0.67781%0.809SS**  trans-82.8127.5174.5-63.4174000109.8L1058I1056-L1058 HydrophobicContact CG2-CB 4.1Å; I1056-L1058 HydrophobicContact CG2-CD1 3.81Å; I1056-L1058 HydrophobicContact CG2-CG 3.67Å
1057I31.3Very low29.7Very low171 Ų171137.2 Ų137.288%0.87781%0.811SS**  trans-117.2115.2152.4-63.7-178.6000107.5
1058L28.8Very low29.6Very low149 Ų149135.7 Ų135.778%0.7881%0.812SS**  trans-115.5112.6177.2-91.8170.7000110.4I1056I1056-L1058 HydrophobicContact CG2-CB 4.1Å; I1056-L1058 HydrophobicContact CG2-CD1 3.81Å; I1056-L1058 HydrophobicContact CG2-CG 3.67Å
1059R31.2Very low29.4Very low254 Ų254136.4 Ų136.496%0.95881%0.811SS**  trans-168.9137.9147.7-106.3168.8-167.1-147.83.6108.5
1060G30.4Very low29.5Very low72 Ų72138.4 Ų138.474%0.74281%0.807SS**  cis-163.5-178.4000000113
1061S27.8Very low29.5Very low124 Ų124139.5 Ų139.587%0.86783%0.825SS**  trans-77.7134.7-160.9-44.90000115.9
1062R30.9Very low29.4Very low253 Ų253136 Ų13696%0.95582%0.823SS**  trans-177.4133.1144-99.3159.5-178.6-167.1-0.1106.6
1063G26.5Very low29.3Very low84 Ų84135.8 Ų135.887%0.86683%0.829SS**  cis127.795.52.900000110.5
1064G28.9Very low29.5Very low80 Ų80127.5 Ų127.583%0.82582%0.818SS**  trans155.7119.3175.800000113.9
1065S30.1Very low29.6Very low119 Ų119125.4 Ų125.483%0.83282%0.822SS**  trans-73.5168.1154.6-50.30000109.4
1066P34.4Very low29.7Very low130 Ų130125.4 Ų125.484%0.84482%0.822SS**  -148.9173.7103.839.4-24.9000114.7
1067A25.8Very low29.8Very low96 Ų96126 Ų12679%0.79383%0.832SS**  trans-143144.8158.500000111.1
1068S27.1Very low29.8Very low112 Ų112123 Ų12378%0.78382%0.821SS**  trans79.6124.9160-113.80000121.5
1069V25.8Very low30.1Very low133 Ų133123.1 Ų123.181%0.80682%0.817SS**  trans55.9140.7153.5-1030000119.2
1070T27.2Very low30.1Very low123 Ų123118.2 Ų118.276%0.75581%0.806SS**  cis-154.2153.131.148.80000115.2
1071A30.5Very low30Very low110 Ų110121 Ų12191%0.90981%0.809SS**  trans60.4151.915700000118.8
1072G28.6Very low30.1Very low70 Ų70118 Ų11872%0.72280%0.797SS**  cis-170.5164.5-6.400000107.2
1073V32.8Very low30Very low154 Ų154115.8 Ų115.893%0.93379%0.794SS**  cis-166.9143.946.91650000110.8
1074G30.6Very low30.1Very low66 Ų66114.5 Ų114.568%0.6878%0.782SS**  trans95140.2151.200000118.6
1075S32.8Very low30.1Very low126 Ų126119.3 Ų119.388%0.88178%0.782SS**  cis-161.6139.4-2.4-73.70000113.5
1076G30.5Very low30.1Very low75 Ų75119 Ų11977%0.77378%0.78SS**  trans81.5153.1161.200000117.7
1077V33.8Very low29.7Very low145 Ų145121.4 Ų121.488%0.87978%0.78SS**  cis-146.3165.7-2.71780000110.1
1078T31.7Very low30.2Very low108 Ų108123 Ų12366%0.66378%0.782SS**  trans-68.8175.9-178.649.80000115
1079H33.9Very low30.2Very low151 Ų151122.9 Ų122.970%0.69978%0.781SS**  cis-144.3149.120.8-88.1-87.5000110.1
1080Q31.8Very low30.4Very low152 Ų152124.9 Ų124.971%0.7179%0.785SS**  88.6116.762.2-116.4-174.6-5.800117.7
1081T29Very low30.4Very low131 Ų131124.2 Ų124.280%0.80479%0.785SS**  trans59.4150.8149.452.80000122.3
1082G30.2Very low30.4Very low60 Ų60128.7 Ų128.762%0.61979%0.788SS**  cis162.3165.8-7.100000114.6
1083F28.9Very low30.4Very low206 Ų206130.1 Ų130.190%0.90479%0.787SS**  trans66.2153.3171.6-57.1-88.8000118.7
1084G27.7Very low30.2Very low58 Ų58130 Ų13060%0.59878%0.781SS**  cis167.3154.7-11.400000114.7
1085H29.3Very low30Very low181 Ų181133.3 Ų133.384%0.83878%0.781SS**  trans72.2152.1167.8-50.5-60.5000117.9
1086S28.9Very low29.7Very low112 Ų112134.8 Ų134.878%0.78378%0.778SS**  cis-158153.5-3.741.10000113.5
1087H27.1Very low29.9Very low181 Ų181136.7 Ų136.784%0.83878%0.775SS**  trans-70.1164.3159-85.1-77.2000111.3
1088P36.4Very low30Very low129 Ų129135.9 Ų135.984%0.83877%0.772SS**  cis-145.2-169.744.642.7-21.2000117.1
1089S27.5Very low29.9Very low110 Ų110135.7 Ų135.777%0.76978%0.776SS**  trans-114.8141.4-170.755.80000114.6
1090I28.4Very low29.7Very low174 Ų174138.5 Ų138.589%0.89279%0.786SS**  trans-137.1145159.8-64.4-177.4000108.2
1091S27.8Very low29.5Very low109 Ų109141.6 Ų141.676%0.76279%0.791SS**  trans-115.2139.9175.452.50000111.9
1092Q31.3Very low29.5Very low204 Ų204138.4 Ų138.495%0.95379%0.785SS**  trans-161.8159160.6-113.7173.932.400110.2
1093S27.2Very low29.5Very low101 Ų101143.2 Ų143.271%0.70680%0.795SS**  trans-127.5137.3-170.156.30000111.3
1094N28.5Very low29.6Very low150 Ų150138.9 Ų138.980%0.80279%0.786SS**  trans155.4158.2157.7-85.2-16.3000109.6
1095I26.9Very low29.8Very low136 Ų136144.6 Ų144.670%0.69779%0.794SS**  cis-166.6141.9-38.2-129.1172.4000108.1
1096I27Very low29.8Very low157 Ų157141.4 Ų141.481%0.80578%0.783SS**  trans71.9151.5160.3-68.6172.7000120.7
1097T34.5Very low29.8Very low115 Ų115141.9 Ų141.971%0.70678%0.777SS**  trans-127.7176.1-175.753.50000112.2
1098P35.9Very low29.8Very low128 Ų128140.2 Ų140.283%0.83177%0.774SS**  trans-122.5165.7156.736.5-24.9000114.1
1099S28.9Very low29.7Very low105 Ų105141.9 Ų141.973%0.73477%0.774SS**  trans-155.3161.8-174.4-49.30000112.8
1100F30.9Very low30.1Very low209 Ų209141.9 Ų141.992%0.91777%0.772SS**  trans-156.4161.1165-106.7-77.9000112.7
1101R28.1Very low29.9Very low217 Ų217138.8 Ų138.882%0.81977%0.765SS**  -164.6143.4-85.3-179.7-179.1-168.5-174.55.4112.3
1102G28.9Very low29.8Very low65 Ų65144.2 Ų144.267%0.6777%0.769SS**  trans170.1142.9161.200000112.5
1103L28.7Very low29.4Very low160 Ų160140.4 Ų140.484%0.83876%0.755SS**  cis-159.2151.5-8.9-159.476.6000110.1
1104V31.6Very low29.4Very low116 Ų116141.9 Ų141.970%0.70376%0.756SS**  trans67.4126.1168.8-167.30000116.1
1105K31.7Very low29.3Very low177 Ų177142.6 Ų142.677%0.7775%0.754SS**  cis-150.6128.3-15.3-98.6162.7-172.2172.10104.8
1106N28.6Very low29.3Very low115 Ų115142.6 Ų142.662%0.61575%0.751SS**  55.613187-69.126.1000114.1
1107N29.7Very low29.3Very low121 Ų121139.9 Ų139.965%0.64774%0.738SS**  cis-162.2150.76.4-102.4-6.4000113.7
1108N27.4Very low29Very low146 Ų146142 Ų14278%0.78174%0.737SS**  trans35.1146138.3-58.70.7000124.8
1109I33.5Very low29Very low164 Ų164144.3 Ų144.384%0.84173%0.734SS**  trans-143.5149.8164.2-69173.8000105.7
1110P37Very low28.8Very low110 Ų110143.2 Ų143.271%0.71473%0.726SS**  cis-126.7-174.8-4.834.4-15000114.8
1111S24.7Very low28.7Very low109 Ų109141.6 Ų141.676%0.76272%0.719SS**  130.5139.8122.375.10000119.8
1112R24.4Very low28.4Very low223 Ų223137 Ų13784%0.84272%0.715SS**  trans64.7102.4157.6-79.7-171.4161.7156.7-2.6122.2
1113N23.4Very low28.3Very low124 Ų124142.9 Ų142.966%0.66372%0.722SS**  76.2131.8119.7-6826.8000120.5
1114N26.7Very low28Very low133 Ų133139.9 Ų139.971%0.71171%0.711SS**  48119.2127.7-52.725.9000116.1
1115E26.6Very low27.9Very low165 Ų165139.2 Ų139.277%0.77171%0.712SS**  -168.7165.551.9-78.9-15814900109.3
1116E27.1Very low27.9Very low136 Ų136136.8 Ų136.864%0.63671%0.712SS**  cis-164.6-177.3-1.8-127.7-161137.200111.4
1117L26.6Very low27.8Very low100 Ų100135.1 Ų135.152%0.52471%0.709SS.*  trans47.1102.6142-72.6171.5000120.8
1118K29Very low27.6Very low159 Ų159136.7 Ų136.769%0.69171%0.713SS**  140.3127.8110.9-80.5141.9-172154.60111.2
1119K36.4Very low27.4Very low176 Ų176137.7 Ų137.777%0.76572%0.718SS**  cis-128.5143.4-1.7-77.8115.1176-172.60108.3
1120S23.1Very low26.9Very low82 Ų82137 Ų13757%0.57371%0.714SS**  cis74.315038.689.30000114.1
1121F28.9Very low26.1Very low176 Ų176136.2 Ų136.277%0.77271%0.712SS**  trans70118.9-162.3-56.3-81.3000112.3
1122V23Very low26Very low121 Ų121135.2 Ų135.273%0.73371%0.705SS**  cis63.881.414.4-166.20000114.3
1123F26.7Very low26Very low187 Ų187131.2 Ų131.282%0.8271%0.705SS**  -117129.1124.9-103.1-116.4000104.5
1124T22.5Very low26.1Very low98 Ų98130.4 Ų130.460%0.60171%0.706SS**  44.6118.977.856.60000112.9
1125S29.4Very low25.9Very low102 Ų102131.4 Ų131.471%0.71371%0.707SS**  cis-149.4-174.75.7-62.10000109.4
1126T30.5Very low25.9Very low126 Ų126130.4 Ų130.477%0.77371%0.707SS**SBendcis-161.6149.513.2-9.70000107.3
1127S27.6Very low25.8Very low79 Ų79130.5 Ų130.555%0.55271%0.71SS**  cis-154159.6-6-148.30000112.5
1128Q26.1Very low26.1Very low155 Ų155130.6 Ų130.672%0.72472%0.717SS**  trans35.6111.1140.7-72.4158.4-27.100121.3I1130Q1128-I1130 HydrophobicContact CB-CG1 4.43Å
1129N22Very low26.1Very low167 Ų167129.6 Ų129.689%0.89372%0.718SS**  -55.6144.3126.4-88.5-47.6000110.3
1130I23.6Very low25.7Very low149 Ų149130.4 Ų130.476%0.76472%0.717SS**  trans-128.2133.1150.1-67.1-176.8000107.7Q1128Q1128-I1130 HydrophobicContact CB-CG1 4.43Å
1131S20.6Very low26Very low94 Ų94132.1 Ų132.166%0.65772%0.724SS**  trans-95.2173.2179.258.90000112.3
1132S21.8Very low26Very low88 Ų88129.7 Ų129.762%0.61572%0.719SS**  trans58.599.5144.2580000119.6
1133T23.9Very low26.3Very low138 Ų138129.8 Ų129.885%0.84772%0.72SS**  trans67.1169.914166.60000117.8
1134P26.7Very low26.4Very low107 Ų107126.4 Ų126.470%0.69572%0.717SS**  cis-126.4-173.7-6.642.8-27.9000114.9
1135Q22.2Very low26.5Very low155 Ų155130.5 Ų130.572%0.72473%0.729SS**  trans-15.7131.4156.5-59.7154.1-33.100118.6
1136N26.8Very low26.4Very low144 Ų144131.9 Ų131.977%0.7773%0.732SS**  177.1134.7115.7-85.3-37.4000109.1
1137I24.9Very low26.2Very low137 Ų137132.2 Ų132.270%0.70373%0.728SS**  cis77.5129.134.7-58.6176000112.2
1138P32.2Very low26Very low103 Ų103137.2 Ų137.267%0.66974%0.743SS**  cis-130.2-155.9-12.532.1-9000113.6
1139I28.9Very low26Very low137 Ų137138.5 Ų138.570%0.70375%0.748SS**  trans86.7126.3166.5-56.7174.9000114.5
1140Y28.7Very low26.5Very low194 Ų194135.5 Ų135.576%0.76174%0.738SS**  cis-167.3152.7-21.9-105.8164.1000109
1141V28.5Very low26.5Very low117 Ų117135.8 Ų135.871%0.70974%0.74SS**  cis-114.4-114.5-13.5-156.70000108.4
1142N28.9Very low26.7Very low126 Ų126135.6 Ų135.667%0.67474%0.739SS**  cis-142.6170.2-14-153.312.1000112.3P1144N1142-P1144 WeakPolarHBondContact O-CD 3.43Å
1143T29.2Very low27Very low122 Ų122140.7 Ų140.775%0.74875%0.75SS**  trans-36.9115.3-17550.40000118.7
1144P28.5Very low27.1Very low117 Ų117139.2 Ų139.276%0.7675%0.746SS**  trans-108.4175.515939-30.5000113.3N1142N1142-P1144 WeakPolarHBondContact O-CD 3.43Å
1145H24.7Very low27.1Very low183 Ų183142.9 Ų142.985%0.84775%0.751SS**  trans-74.2160.5179.4-82.2-106000115.2
1146V28.2Very low27.4Very low131 Ų131141 Ų14179%0.79475%0.752SS**  trans-121.7110.7167.51770000106.1
1147I25.5Very low27.4Very low133 Ų133139 Ų13968%0.68275%0.745SS**  75.9101.179.1-65.2172.9000114.4
1148Q25.1Very low27.6Very low184 Ų184139.3 Ų139.386%0.8675%0.748SS**  trans67.7150.8141.1-66.2175.8-21.100123.8
1149H25.4Very low27.5Very low182 Ų182140.4 Ų140.484%0.84375%0.752SS**  trans-49.7166.6165.3-72.9-84.1000114.1
1150P32Very low27.6Very low105 Ų105139.2 Ų139.268%0.68276%0.756SS**  cis-150-175.131.443.7-22.6000119.4
1151L23.4Very low27.7Very low154 Ų154133 Ų13381%0.80675%0.751SS**  trans59.698.4147.5-77.1158.5000121.9
1152S25.7Very low28Very low91 Ų91133.9 Ų133.964%0.63676%0.756SS**  trans44.2122.2131.4680000122.5
1153K26.8Very low28Very low194 Ų194133 Ų13384%0.84376%0.76SS**  170140.6110.1-92.2167.9-176.7177.70115.3
1154S27.2Very low28.2Very low107 Ų107134.5 Ų134.575%0.74876%0.762SS**  trans42.2121.7148.360.50000124.5
1155K25.4Very low28.4Very low184 Ų184134.6 Ų134.680%0.876%0.761SS**  31.8140.7122.2-89.4-176.5178179.90120.8
1156P30.3Very low28.7Very low116 Ų116132.8 Ų132.875%0.75376%0.757SS**  -127.7164.464.331.2-14.3000115.1
1157T25.4Very low28.8Very low103 Ų103129.8 Ų129.863%0.63275%0.745SS**  65.1143.953.115.90000114.4
1158L28.7Very low29Very low143 Ų143130.4 Ų130.475%0.74975%0.75SS**  cis-162.7175.522.2-146.5143.6000111.7
1159V30.1Very low29.1Very low126 Ų126125.6 Ų125.676%0.76474%0.741SS**  trans77.4135.5165.3-174.10000116.8
1160S31.2Very low29.5Very low111 Ų111125.1 Ų125.178%0.77674%0.744SS**  cis-171.2168.6-23-89.90000108.2
1161G31.4Very low29.3Very low64 Ų64127 Ų12766%0.6675%0.749SS**  cis139.182.4-8.800000115.9
1162T34Very low29.9Very low135 Ų135124.3 Ų124.383%0.82874%0.74SS**  trans-131.4115.815552.30000108.1
1163S30.7Very low30.1Very low107 Ų107126.7 Ų126.775%0.74875%0.746SS**  71.9137.160.7-52.60000111.4
1164I33Very low30.3Very low154 Ų154124.4 Ų124.479%0.7974%0.742SS**  cis-148150.728.6-71.6173.4000107.7
1165T32.3Very low30.9Very low119 Ų119123.9 Ų123.973%0.7374%0.736SS**  cis-159.7-164.6-23.439.20000104.8
1166L30.6Very low31Very low146 Ų146122.2 Ų122.276%0.76474%0.735SS**  cis-154.4141.22.8-157.965.7000104.7
1167A30.4Very low30.8Very low67 Ų67123.6 Ų123.655%0.55474%0.737SS**  64.6132.864.300000114.5
1168D29.1Very low30.8Very low147 Ų147128 Ų12879%0.78674%0.743SS**  cis-143.9144.88.2-89-50.8000110.8
1169A28.8Very low30.8Very low82 Ų82126.7 Ų126.768%0.67874%0.741SS**  66.9141.180.500000114
1170L32.5Very low30.9Very low173 Ų173125.2 Ų125.291%0.90674%0.742SS**  cis-144169.230.4-74.5160.5000114
1171N28Very low30.9Very low144 Ų144125.9 Ų125.977%0.7774%0.744SS**  trans-103.5173.2167.3-142.616.3000109.1
1172P36.6Very low30.7Very low97 Ų97131 Ų13163%0.6376%0.756SS**  -157.1-177.562.945.2-23.7000119.2
1173D30.1Very low30.6Very low141 Ų141128.7 Ų128.775%0.75475%0.751SS**  trans82157152.5-58.5-29.4000122.6
1174I31.2Very low30.3Very low147 Ų147130.5 Ų130.575%0.75476%0.757SS**  trans-162161.5-135.8-65156.9000107.5
1175P39Very low30.1Very low96 Ų96127.2 Ų127.262%0.62376%0.761SS**  cis-125.2-178.1-14.928.8-6.6000114
1176D27.6Very low29.9Very low148 Ų148126.7 Ų126.779%0.79176%0.763SS**  147123.3115.4-88.5-26.4000115.8
1177D25.3Very low30.1Very low146 Ų146125.9 Ų125.978%0.78177%0.766SS**  trans59152.3150.2-123.4-16.4000125.2
1178Y27.2Very low29.9Very low196 Ų196128 Ų12877%0.76978%0.776SS**  trans67.9111.4158.6-106.8-107.8000123.7
1179T26.8Very low30.2Very low114 Ų114127.2 Ų127.270%0.69978%0.779SS**  trans53.7126131.9-51.40000121.5
1180A33.5Very low30.1Very low96 Ų96127.5 Ų127.579%0.79378%0.782SS**  trans-74.7149.3-179.300000116.1
1181P30.7Very low30.2Very low124 Ų124124.8 Ų124.881%0.80578%0.775SS**  trans-121.3161.4158.638.3-27.7000114.2
1182N27.5Very low30.2Very low173 Ų173125.2 Ų125.293%0.92578%0.776SS**  trans-95.3136.7172.6-77.2-39.3000112.4
1183A30.7Very low30.2Very low86 Ų86125.7 Ų125.771%0.71178%0.779SS**  trans-166.2116.1151.700000108.6
1184T25.8Very low30.1Very low144 Ų144126 Ų12688%0.88378%0.779SS**  49.9107.376.966.70000115
1185G28.8Very low30.1Very low85 Ų85123.3 Ų123.388%0.87677%0.773SS**  trans-176.99217200000112.8
1186S28.3Very low29.9Very low109 Ų109126.2 Ų126.276%0.76278%0.778SS**  trans-107.2158.2177.453.80000112
1187P34.1Very low29.9Very low129 Ų129125.8 Ų125.884%0.83878%0.776SS**  trans-123126.9155.234.2-22.6000112.1
1188S26.6Very low30.1Very low110 Ų110125.6 Ų125.677%0.76977%0.774SS**  trans-98.5164.6164.8-57.30000110.3
1189P35.4Very low30.2Very low131 Ų131120 Ų12085%0.85177%0.768SS**  -142.3165.3105.635.2-20.6000115.2
1190A26.7Very low30.2Very low88 Ų88121.2 Ų121.273%0.72777%0.77SS**  trans-103.717117500000111.7
1191P33.4Very low30Very low117 Ų117124.1 Ų124.176%0.7677%0.768SS**  -141.3147.785.331-11.2000114.6
1192I28.4Very low29.7Very low153 Ų153125 Ų12579%0.78577%0.765SS**  37.215482.329.8173.9000117.7
1193P37.3Very low29.4Very low107 Ų107122 Ų12270%0.69576%0.756SS**  cis-137.2-171.4-10.132.4-9.6000114.7
1194I28.4Very low29.3Very low148 Ų148123.1 Ų123.176%0.75976%0.759SS**  169127.1120.4-88164.8000113.6
1195S30.2Very low29.3Very low90 Ų90124.2 Ų124.263%0.62975%0.754SS**  trans53.4149.4152.7-66.70000122.5
1196Q34.3Very low29.1Very low156 Ų156125.9 Ų125.973%0.72975%0.747SS**  cis-158.3141.7-8.8-111.11607.800108.2
1197N29.3Very low29.1Very low140 Ų140126.2 Ų126.275%0.74974%0.744SS**  54.9144.695.8-66.2-5.8000115.7
1198L28.4Very low28.6Very low141 Ų141125.6 Ų125.674%0.73874%0.738SS**  cis-153.8126.82.3-140.977.1000106.4
1199A28.8Very low28.7Very low78 Ų78127.7 Ų127.765%0.64574%0.739SS**  64.3147.895.200000119.4
1200N27.4Very low28.3Very low140 Ų140126.6 Ų126.675%0.74974%0.735SS**  trans74.4153156.4-65.5-12.8000118.1
1201Q28.8Very low28.6Very low157 Ų157127.3 Ų127.373%0.73473%0.734SS**  cis-156.5151.75.8-132.8165.31700115.5
1202L24.3Very low28.3Very low142 Ų142128.8 Ų128.874%0.74374%0.736SS**  trans22.5124.1145.8-65.8171000124.3
1203C22.8Very low28.2Very low110 Ų110128.5 Ų128.574%0.74373%0.733SS**  60.7160121.8-63.80000125.1
1204S27.8Very low27.8Very low110 Ų110129.6 Ų129.677%0.76973%0.733SS**  trans77.9148.9164.182.70000117
1205H25.3Very low27.6Very low168 Ų168129.9 Ų129.978%0.77873%0.734SS**  cis-169.8149.8-28.8-120.4-63.6000109
1206V25.4Very low28Very low120 Ų120130.7 Ų130.773%0.72774%0.738SS**  trans69.3147.6155.1177.10000114.3
1207T27.2Very low27.5Very low116 Ų116128.2 Ų128.271%0.71274%0.737SS**  cis-139.7166.119.1-17.40000113.4
1208T25Very low27.4Very low116 Ų116126.6 Ų126.671%0.71274%0.737SS**  trans-19.3151.815654.90000118.7
1209I28.6Very low27.4Very low153 Ų153127.3 Ų127.379%0.78574%0.736SS**  -151.1137.474.9-84.4162.3000113.5
1210S27.7Very low27.4Very low109 Ų109131.2 Ų131.276%0.76274%0.741SS**  trans38.1140.2155.2-60.50000122.6
1211S32.3Very low27.3Very low102 Ų102134 Ų13471%0.71374%0.741SS**  cis-169.8139.2-646.70000113.4
1212N27.3Very low27.3Very low148 Ų148132.7 Ų132.779%0.79173%0.734SS**  trans19.7156.7137.4-61.32.7000122.4
1213M26.7Very low27.6Very low147 Ų147133.4 Ų133.472%0.72473%0.733SS**  cis178152.3-25.8-101.8-135.7-177.100108.6
1214N28Very low27.9Very low131 Ų131134.3 Ų134.370%0.70173%0.726SS**  trans60.4138.5158.5-54.6-18.9000118.6
1215I25.4Very low28.1Very low154 Ų154136 Ų13679%0.7972%0.722SS**  cis69.7127.141.6-56.3176000112.3
1216P36.8Very low28.5Very low107 Ų107136.5 Ų136.570%0.69573%0.725SS**  cis-141-172-16.942.4-23.6000116.3
1217S25.6Very low28.8Very low103 Ų103133.9 Ų133.972%0.7272%0.722SS**  trans72.4116.2144-64.90000125.1
1218S27.1Very low29.1Very low106 Ų106138.6 Ų138.674%0.74173%0.733SS**  93.8137.1124.877.10000124.2
1219H27.8Very low29.3Very low156 Ų156138.9 Ų138.972%0.72274%0.74SS**  trans58.2111.3154.7-78.5-75.7000125.1
1220H27.9Very low29.2Very low161 Ų161136 Ų13675%0.74573%0.733SS**  88131.7121.5-84.2-11.7000125.6
1221R26.6Very low29.1Very low199 Ų199141.2 Ų141.275%0.75174%0.736SS**  trans84118.3136.5-81.6-173130.4157.11.1122.6
1222H28.4Very low28.7Very low129 Ų129143.2 Ų143.260%0.59774%0.738SS**  trans60.7154.3140.3-57.4-54.1000118.7
1223H29.8Very low28.6Very low156 Ų156143.6 Ų143.672%0.72274%0.739SS**  cis-164.8-175-19.3-106.2-26.5000107.4
1224H30.1Very low28.6Very low129 Ų129143 Ų14360%0.59774%0.739SS**  cis-156.4179.213.2-157-137.9000110.8
1225H31.4Very low28.4Very low145 Ų145140.8 Ų140.867%0.67173%0.734SS**  trans65.8143.4164-70-53.4000118
1226Q33.3Very low28.5Very low179 Ų179141.2 Ų141.284%0.83673%0.732SS**  cis-147.9151-6.5-98.2158.947.800106.9
1227G31.1Very low28Very low66 Ų66142.9 Ų142.968%0.6873%0.734SS**  cis168.9163.9-600000111.8
1228K33.9Very low28.2Very low215 Ų215144.7 Ų144.794%0.93574%0.736SS**  trans68.2141.7-179.4-54.1179-177.7179.40115.9
1229S28.9Very low28.2Very low122 Ų122149.4 Ų149.485%0.85374%0.743SS**  cis-155.9171.8-28-154.30000109
1230S27Very low28.7Very low92 Ų92147.1 Ų147.164%0.64374%0.742SS**  trans-141158.2-164.968.40000115.1
1231R26Very low28.5Very low219 Ų219145.3 Ų145.383%0.82674%0.742SS**  trans78.2132.5152.6-70.2173.8-178.4-155.2-1.8119.9
1232L23.9Very low28.5Very low144 Ų144143 Ų14375%0.75474%0.743SS**  46.6125.3127.6-50.8167.7000119.6
1233L24.5Very low28.3Very low155 Ų155141 Ų14181%0.81274%0.744SS**  171.6155.9105.2-93.3151.6000112.6
1234N27.8Very low28.1Very low136 Ų136139.9 Ų139.973%0.72774%0.743SS**  trans59.2128.8153.6-65.63.9000123.2
1235S24.3Very low27.9Very low84 Ų84138 Ų13859%0.58775%0.745SS**  trans-14.913914248.10000118.6
1236H26.2Very low27.9Very low162 Ų162140.5 Ų140.575%0.7575%0.753SS**  174.9153.794.9-98.6-73.1000114.7
1237L26.9Very low27.6Very low142 Ų142141 Ų14174%0.74375%0.753SS**  trans72.9145.2144.4-75.4161.5000122.6
1238N30.2Very low27.5Very low141 Ų141146.9 Ų146.975%0.75476%0.763SS**  trans76.581154.7-61.8-17.1000121.3
1239K26.6Very low27.2Very low206 Ų206141.1 Ų141.190%0.89675%0.749SS**  26.4158.2111.4-80.8-170.3173.4174.80122.2
1240P37.8Very low27.3Very low107 Ų107143.3 Ų143.370%0.69575%0.746SS**  trans-124.6-140.5-147.144.8-29000114.2
1241T24.5Very low27.3Very low123 Ų123147 Ų14776%0.75575%0.753SS**  trans85.6149.2177.176.40000115.1
1242I26.9Very low27.2Very low151 Ų151140.8 Ų140.877%0.77474%0.743SS**  cis-150.3-168.1-11.2-119.8165.9000109.2
1243S23.2Very low27.2Very low88 Ų88142.9 Ų142.962%0.61575%0.749SS**  trans-49.4159.7175.159.10000114.2
1244D26.6Very low27.3Very low132 Ų132141.5 Ų141.571%0.70675%0.746SS**  -172.5159.770.6-128.6-73.4000118.8
1245S26.1Very low27Very low89 Ų89140.4 Ų140.462%0.62274%0.74SS**  trans73.5132.1141.8-82.20000125.6
1246K31Very low27.2Very low197 Ų197141.2 Ų141.286%0.85774%0.741SS**  trans72.6138.6160.6-59.5165-175.7173.20117.7
1247K26.2Very low27Very low190 Ų190134.6 Ų134.683%0.82671%0.713SS**  cis132.3147-8.1-94.4-161.4170.7-176.20110.5
1248Q28.6Very low26.9Very low190 Ų190135 Ų13589%0.88871%0.714SS**  trans71.4141.2179-59.2170-49.700114.5
1249S28.3Very low26.7Very low93 Ų93133.4 Ų133.465%0.6571%0.714SS**  cis-168.9157.4-18.441.70000106.5
1250H30.6Very low26.6Very low169 Ų169131.8 Ų131.878%0.78271%0.707SS**  cis-158.8179.141.3-96.5-87.4000111.9
1251H26.6Very low26.2Very low169 Ų169132.3 Ų132.378%0.78271%0.714SS**  trans-19.1163150.8-80.8-106.2000119.9
1252S23.8Very low26.2Very low89 Ų89129 Ų12962%0.62270%0.696SS**  cis-178.3171.9-24.553.40000109.8
1253E24.1Very low26.7Very low187 Ų187127.5 Ų127.587%0.87470%0.695SS**  trans75.7176.5171.5-63.1-159.1110.800119.5
1254V27.1Very low27Very low126 Ų126128.5 Ų128.576%0.76469%0.694SS**  trans77.489.1-175.6-166.80000116.6V1256V1254-V1256 HydrophobicContact CG1-CB 4.42Å; V1254-V1256 HydrophobicContact CG1-CG2 4Å; V1254-V1256 PolarHBondContact O-N 2.77Å
1255L21.7Very low27.2Very low114 Ų114131.9 Ų131.960%0.59770%0.698SS**  trans-88.183.6171.4-162.7179.2000109.7N401 N402N401-L1255 WeakPolarHBondContact O-CD2 3.46Å; N402-L1255 HydrophobicContact CB-CD2 3.88Å; N402-L1255 HydrophobicContact CB-CG 3.83Å; N402-L1255 VanDerWaalsContact N-CD2 3.33Å
1256V27.5Very low27.3Very low100 Ų100133.5 Ų133.561%0.60670%0.7SS**  trans-144.8142.6174-174.70000111.7N401 V1254N401-V1256 PolarHBondContact ND2-O 2.72Å; V1254-V1256 HydrophobicContact CG1-CB 4.42Å; V1254-V1256 HydrophobicContact CG1-CG2 4Å; V1254-V1256 PolarHBondContact O-N 2.77Å
1257S23.6Very low27.1Very low23 Ų23131 Ų13116%0.16170%0.696CS.*  trans-55.9167.7172.3-44.10000112.4L400L400-S1257 PolarHBondContact O-OG 2.84Å
1258I24.3Very low27.2Very low151 Ų151126.1 Ų126.177%0.77469%0.691SS**  cis-162.9152.247.2-70.8-179.4000108.9
1259S25.5Very low27.1Very low108 Ų108122 Ų12276%0.75568%0.683SS**  trans-85.3134169.344.40000113.7
1260K25.5Very low27Very low172 Ų172129 Ų12975%0.74870%0.695SS**  trans-174.2135.2157.2-119167.3173.2-105.60118.2S1262K1260-S1262 PolarHBondContact NZ-OG 2.75Å
1261S28Very low26.8Very low118 Ų118126.3 Ų126.383%0.82570%0.695SS**  -143.1129.9129.346.90000105.1
1262S25.5Very low26.6Very low54 Ų54123.2 Ų123.238%0.37869%0.693SS.*  cis65.3142.727-85.60000112.8K1260 D1264K1260-S1262 PolarHBondContact NZ-OG 2.75Å; S1262-D1264 WeakPolarHBondContact CB-OD1 3.45Å; S1262-D1264 PolarHBondContact OG-OD1 2.95Å
1263P37.2Very low26.7Very low118 Ų118123.9 Ų123.977%0.76670%0.698SS**  cis-105154.236.55.517.5000115.1
1264D28.4Very low26.8Very low109 Ų109122.2 Ų122.258%0.58369%0.694SS**  cis82.5135.345.5-43-27.9000111.4S1262S1262-D1264 WeakPolarHBondContact CB-OD1 3.45Å; S1262-D1264 PolarHBondContact OG-OD1 2.95Å
1265Y31.3Very low26.8Very low203 Ų203122.9 Ų122.980%0.79669%0.691SS**  cis-143.6150.942.1-99.8-102.3000116
1266D28.7Very low27Very low123 Ų123125.5 Ų125.566%0.65870%0.7SS**  trans14.7160.7138.1-72.5-37.9000124.5
1267N26.4Very low26.9Very low145 Ų145125 Ų12578%0.77570%0.701SS**  cis-179.6126.6-32-136.9-47.6000109.2
1268A27.8Very low27Very low88 Ų88128.1 Ų128.173%0.72772%0.723SS**  trans-166.7119.2163.300000115.6
1269S28.2Very low27.1Very low102 Ų102128.5 Ų128.571%0.71373%0.727SS**  trans44.6109.2145.760.90000123
1270R25.5Very low27.1Very low241 Ų241132.7 Ų132.791%0.90973%0.734SS**  59.6156.8126.3-58.6-178.7172.6175.7-2.9119
1271S25.6Very low27.2Very low112 Ų112129.6 Ų129.678%0.78373%0.734SS**  cis-147.8160.620.7-51.30000112.8
1272S23.1Very low27.3Very low105 Ų105132.4 Ų132.473%0.73473%0.732SS**  trans-93.5176.5156.8530000111.4
1273S26.9Very low27.4Very low103 Ų103137.5 Ų137.572%0.7274%0.744SS**  trans63.992.9172.551.50000119.3
1274L25.7Very low26.8Very low151 Ų151138.8 Ų138.879%0.79174%0.74SS**  42.6121.2113.7-68.7158.5000120.5
1275I25.6Very low26.7Very low140 Ų140141 Ų14172%0.71875%0.75SS**  trans74.9134.1138.8-60.9173.1000115.8
1276H26.7Very low26.5Very low169 Ų169134.6 Ų134.678%0.78275%0.746SS**  cis-143.4154.413.4-135.5-51.3000112.7
1277S25.6Very low26.5Very low90 Ų90137.8 Ų137.863%0.62975%0.754SS**  trans57.6104.7141.8-122.60000122.9
1278S26.7Very low26.6Very low88 Ų88139.1 Ų139.162%0.61576%0.756SS**  64.5121.8117.2670000122.6
1279N25.8Very low26.7Very low159 Ų159140.4 Ų140.485%0.8576%0.759SS**  trans78.6110.4142.5-57.41000119.4
1280E25.5Very low26.6Very low196 Ų196146.8 Ų146.892%0.91677%0.768SS**  trans-112115.4144-83-152.4131.300111.6
1281S27.5Very low27.3Very low107 Ų107141 Ų14175%0.74876%0.761SS**  trans-150.5130.1132.262.40000106.4
1282F28.9Very low27.4Very low177 Ų177139.7 Ų139.778%0.77677%0.765SS**  cis-157.41424.2-145.9-116.5000109.5
1283Y27.5Very low27.5Very low161 Ų161138.7 Ų138.763%0.63177%0.772SS**  trans53.1110.9153.7-88.3-110000122.5
1284Q26Very low27.5Very low146 Ų146137.8 Ų137.868%0.68278%0.778SS**  68.5125.5122.9-73.6-169.4-14.300123.9
1285I25.2Very low27.6Very low154 Ų154137 Ų13779%0.7979%0.786SS**  trans67105.5137.2-56.4165.3000118.1
1286G26.8Very low27.6Very low70 Ų70133.5 Ų133.572%0.72278%0.784SS**  trans174.688.316200000119.8
1287K30.7Very low27.7Very low190 Ų190133.8 Ų133.883%0.82679%0.789SS**  trans65.9107.6141.4-62.5-176.7-179.81770122.2
1288H27Very low27.8Very low173 Ų173134 Ų13480%0.80180%0.796SS**  73.5124125.5-66.2-64.5000124.4
1289S29.7Very low28Very low115 Ų115136.7 Ų136.780%0.80481%0.809SS**  trans93.9108.7133.1-63.40000122.8
1290R26.9Very low28Very low236 Ų236132.5 Ų132.589%0.89180%0.803SS**  trans-43.7176.2144.9-91.9-178176.3-170.1-0.7115.4
1291P39.6Very low28.4Very low119 Ų119130 Ų13077%0.77380%0.801SS**  cis-140.9175.4-19.234.9-15.6000116.4
1292G27.3Very low28.6Very low84 Ų84130.2 Ų130.287%0.86680%0.803SS**  trans90157.3154.500000116.3
1293G25.6Very low28.5Very low85 Ų85124.9 Ų124.988%0.87680%0.798SS**  cis153.6134.1-7.600000112.2
1294G26.7Very low28.9Very low83 Ų83125.2 Ų125.286%0.85681%0.81SS**  trans151.9137.8175.100000115
1295S27.5Very low29.4Very low135 Ų135125.7 Ų125.794%0.94481%0.813SS**  trans-73.6160.9-177.9-43.40000114.3
1296G25.8Very low30.3Very low66 Ų66124.6 Ų124.668%0.6881%0.813SS**  trans172.6113.1155.700000118.4
1297I29.4Very low31.7Very low175 Ų175124.1 Ų124.190%0.89779%0.789SS**  trans71.8138.6149.5-54.5174.4000117.3
1298A27.3Very low33Very low94 Ų94122.1 Ų122.178%0.77779%0.788SS**  trans-120.2144.8177.700000111.8
1299V31.1Very low34.9Very low146 Ų146116.3 Ų116.389%0.88577%0.77SS**  trans-138.8131.7155.4-177.90000105.9
1300G26.8Very low36.9Very low70 Ų70111.9 Ų111.972%0.72274%0.738SS**  trans-116.6153.6-17500000113.1
1301V32.4Very low39.3Very low143 Ų143103.8 Ų103.887%0.86772%0.718SS**  trans-139153.2165.9-1790000108.2
1302S31.8Very low41.1Very low113 Ų113100.1 Ų100.179%0.7970%0.695SS**  trans-41.9158.6175.1-41.10000115.3
1303G28.4Very low43.3Very low65 Ų65100.2 Ų100.267%0.6767%0.672SS**  cis120.363.15.700000112Q1305G1303-Q1305 PolarHBondContact O-N 3.03Å
1304D34.8Very low45.7Very low167 Ų167102.5 Ų102.589%0.89366%0.655SS**  trans-65.7125.3-173.1-67-43000113
1305Q37.8Very low48.3Very low157 Ų15798.5 Ų98.573%0.73461%0.614SS**  trans-85.5119.3172-68.8-177.2-12.600110G1303 W1307G1303-Q1305 PolarHBondContact O-N 3.03Å; Q1305-W1307 PolarHBondContact O-N 3.2Å
1306V43.8Very low50.9Low131 Ų13194.1 Ų94.179%0.79458%0.581SS**  trans-73.9113.4171.51800000109.2N1308V1306-N1308 PolarHBondContact O-N 3.2Å
1307W56.2Low53.5Low59 Ų5994.8 Ų94.822%0.22356%0.563CS.*  trans-69.5119.4174169.651.5000111Q1305 A1309 F1360 H1366 P1367 V1370 F1442Q1305-W1307 PolarHBondContact O-N 3.2Å; W1307-A1309 VanDerWaalsContact C-N 3.35Å; W1307-A1309 HydrophobicContact CD2-CB 3.99Å; W1307-A1309 HydrophobicContact CE3-CB 3.99Å; W1307-A1309 HydrophobicContact CH2-CB 3.84Å; W1307-A1309 HydrophobicContact CZ2-CB 3.85Å; W1307-A1309 HydrophobicContact CZ3-CB 3.91Å; W1307-A1309 PolarHBondContact O-N 3.49Å; W1307-F1360 HydrophobicContact CZ2-CD1 4.33Å; W1307-F1360 HydrophobicContact CZ2-CE1 4.19Å; W1307-H1366 AromaticContact CD1-ND1 3.84Å; W1307-H1366 AromaticContact CE2-ND1 3.56Å; W1307-H1366 AromaticContact CZ2-ND1 3.81Å; W1307-H1366 AromaticContact NE1-CE1 3.46Å; W1307-H1366 PolarHBondContact NE1-CE1 3.01Å; W1307-H1366 AromaticContact NE1-CG 3.95Å; W1307-H1366 AromaticContact NE1-ND1 2.95Å; W1307-H1366 PolarHBondContact NE1-ND1 3.1Å; W1307-P1367 HydrophobicContact CE3-CG 3.84Å; W1307-P1367 HydrophobicContact CH2-CG 4.39Å; W1307-P1367 HydrophobicContact CZ3-CG 3.71Å; W1307-V1370 HydrophobicContact CH2-CG1 4.36Å; W1307-V1370 HydrophobicContact CH2-CG2 3.97Å; W1307-V1370 HydrophobicContact CZ2-CG1 4.28Å; W1307-F1442 HydrophobicContact CH2-CE2 4.42Å; W1307-F1442 AromaticContact CH2-CZ 3.86Å; W1307-F1442 HydrophobicContact CH2-CZ 3.86Å; W1307-F1442 HydrophobicContact CZ2-CZ 4.19Å
1308N56.6Low56Low149 Ų14987.5 Ų87.580%0.79753%0.527SS*.  trans-78.383.3171.9-78.9-33.1000110.1V1306V1306-N1308 PolarHBondContact O-N 3.2Å
1309A66.6Low58.8Low51 Ų5183.1 Ų83.142%0.42149%0.491SS..PPolyproline II helixtrans-64.4142.4177.700000112.2W1307 F1442W1307-A1309 VanDerWaalsContact C-N 3.35Å; W1307-A1309 HydrophobicContact CD2-CB 3.99Å; W1307-A1309 HydrophobicContact CE3-CB 3.99Å; W1307-A1309 HydrophobicContact CH2-CB 3.84Å; W1307-A1309 HydrophobicContact CZ2-CB 3.85Å; W1307-A1309 HydrophobicContact CZ3-CB 3.91Å; W1307-A1309 PolarHBondContact O-N 3.49Å; A1309-F1442 HydrophobicContact CB-CE1 4.11Å; A1309-F1442 HydrophobicContact CB-CZ 4.49Å
1310P72.6Confident61.2Low21 Ų2181.5 Ų81.514%0.13647%0.474CS..PPolyproline II helixtrans-67.2153.1173.827-34.3000112.3S1312 V1315 L1359 F1360 F1442P1310-S1312 PolarHBondContact O-N 3.07Å; P1310-V1315 HydrophobicContact CB-CG2 4.28Å; P1310-V1315 HydrophobicContact CG-CG2 3.88Å; P1310-L1359 HydrophobicContact CB-CB 3.98Å; P1310-L1359 HydrophobicContact CG-CB 4.18Å; P1310-F1360 HydrophobicContact CG-CD1 4.11Å; P1310-F1360 HydrophobicContact CG-CE1 3.73Å; P1310-F1360 HydrophobicContact CG-CE2 4.33Å; P1310-F1360 HydrophobicContact CG-CZ 3.84Å; P1310-F1442 HydrophobicContact CG-CE1 4.13Å; P1310-F1442 HydrophobicContact CG-CZ 3.9Å; P1310-F1442 VanDerWaalsContact O-CE1 3.26Å; P1310-F1442 WeakPolarHBondContact O-CE1 3.36Å
1311S78.1Confident64Low67 Ų6780.9 Ų80.947%0.46946%0.456SS..PPolyproline II helixtrans-52.3128.8175.3166.10000112.1E1313 R1314 V1315S1311-E1313 VanDerWaalsContact C-N 3.3Å; S1311-E1313 PolarHBondContact O-N 3.43Å; S1311-R1314 WeakPolarHBondContact O-CA 3.48Å; S1311-R1314 WeakPolarHBondContact O-CB 3.31Å; S1311-R1314 PolarHBondContact O-N 2.94Å; S1311-V1315 PolarHBondContact O-N 2.89Å
1312S76.9Confident66.5Low42 Ų4274.1 Ų74.129%0.29442%0.415SS..Hα-helixtrans-53.4-44.1177.650.50000112.1P1310 R1314 V1315 V1316P1310-S1312 PolarHBondContact O-N 3.07Å; S1312-R1314 VanDerWaalsContact C-N 3.28Å; S1312-R1314 PolarHBondContact O-N 3.39Å; S1312-V1315 PolarHBondContact O-N 3.25Å; S1312-V1316 VanDerWaalsContact O-CG2 3.31Å; S1312-V1316 WeakPolarHBondContact O-CG2 3.39Å; S1312-V1316 PolarHBondContact O-N 3.39Å
1313E72.8Confident69.2Low85 Ų8572 Ų7240%0.39739%0.394SS..Hα-helixtrans-57.7-37.2175.2-160.4-139.1141.200112.8S1311 R1317S1311-E1313 VanDerWaalsContact C-N 3.3Å; S1311-E1313 PolarHBondContact O-N 3.43Å; E1313-R1317 PolarHBondContact O-N 3.34Å; E1313-R1317 VanDerWaalsContact O-N 3.09Å; E1313-R1317 IonicContact OE1-CZ 3.31Å; E1313-R1317 IonicContact OE1-NE 3.11Å; E1313-R1317 PolarHBondContact OE1-NE 2.92Å; E1313-R1317 IonicContact OE1-NH2 3.25Å; E1313-R1317 PolarHBondContact OE1-NH2 3.47Å; E1313-R1317 IonicContact OE2-NH2 2.71Å; E1313-R1317 PolarHBondContact OE2-NH2 3.34Å
1314R76.8Confident71.8Confident133 Ų13373.9 Ų73.950%0.50239%0.387SS..Hα-helixtrans-76.3-34.7178.9-164.2175.5176.8-167.3-9.7112.1S1311 S1312 C1318 L1359S1311-R1314 WeakPolarHBondContact O-CA 3.48Å; S1311-R1314 WeakPolarHBondContact O-CB 3.31Å; S1311-R1314 PolarHBondContact O-N 2.94Å; S1312-R1314 VanDerWaalsContact C-N 3.28Å; S1312-R1314 PolarHBondContact O-N 3.39Å; R1314-C1318 PolarHBondContact O-N 2.65Å; R1314-C1318 PolarHBondContact O-SG 3.13Å; R1314-L1359 HydrophobicContact CB-CD1 4.33Å; R1314-L1359 HydrophobicContact CG-CD1 3.88Å; R1314-L1359 HydrophobicContact CG-CD2 4.03Å; R1314-L1359 VanDerWaalsContact CZ-CD2 3.4Å
1315V81.3Confident74.2Confident0 Ų070 Ų700%036%0.36CS..Hα-helixtrans-63.7-47.7171174.70000110.1P1310 S1311 S1312 R1317 C1318 V1319 L1356 L1359 F1360 F1442P1310-V1315 HydrophobicContact CB-CG2 4.28Å; P1310-V1315 HydrophobicContact CG-CG2 3.88Å; S1311-V1315 PolarHBondContact O-N 2.89Å; S1312-V1315 PolarHBondContact O-N 3.25Å; V1315-R1317 PolarHBondContact O-N 2.89Å; V1315-C1318 PolarHBondContact O-N 2.89Å; V1315-V1319 WeakPolarHBondContact O-CG2 3.37Å; V1315-V1319 PolarHBondContact O-N 2.95Å; V1315-L1356 HydrophobicContact CG1-CD1 4.2Å; V1315-L1359 HydrophobicContact CG2-CD1 4.2Å; V1315-F1360 HydrophobicContact CG2-CZ 4.32Å; V1315-F1442 HydrophobicContact CG1-CD2 4.1Å; V1315-F1442 HydrophobicContact CG1-CG 4.37Å; V1315-F1442 HydrophobicContact CG2-CD1 4.27Å; V1315-F1442 HydrophobicContact CG2-CD2 4.4Å; V1315-F1442 HydrophobicContact CG2-CE1 4.13Å; V1315-F1442 HydrophobicContact CG2-CE2 4.27Å; V1315-F1442 HydrophobicContact CG2-CG 4.41Å; V1315-F1442 HydrophobicContact CG2-CZ 4.15Å
1316V81.8Confident76.5Confident43 Ų4363.4 Ų63.426%0.26133%0.329SS..Hα-helixtrans-54.8-54.8176.8169.70000111.1S1312 C1318 V1319 E1320 L1439S1312-V1316 VanDerWaalsContact O-CG2 3.31Å; S1312-V1316 WeakPolarHBondContact O-CG2 3.39Å; S1312-V1316 PolarHBondContact O-N 3.39Å; V1316-C1318 VanDerWaalsContact C-N 3.25Å; V1316-C1318 PolarHBondContact O-N 3.03Å; V1316-V1319 PolarHBondContact O-N 3.07Å; V1316-E1320 HydrophobicContact CG1-CG 4.18Å; V1316-E1320 WeakPolarHBondContact O-CG 3.5Å; V1316-E1320 PolarHBondContact O-N 3.29Å; V1316-L1439 HydrophobicContact CB-CD1 4.44Å; V1316-L1439 HydrophobicContact CG2-CD1 3.98Å; V1316-L1439 HydrophobicContact CG2-CG 4.17Å
1317R79.5Confident78.3Confident80 Ų8064.5 Ų64.530%0.30232%0.319SS..Hα-helixtrans-60.7-30.6-178.2-74.5-168.9-88.796.8-9114.1E1313 V1315 E1320 T1321E1313-R1317 PolarHBondContact O-N 3.34Å; E1313-R1317 VanDerWaalsContact O-N 3.09Å; E1313-R1317 IonicContact OE1-CZ 3.31Å; E1313-R1317 IonicContact OE1-NE 3.11Å; E1313-R1317 PolarHBondContact OE1-NE 2.92Å; E1313-R1317 IonicContact OE1-NH2 3.25Å; E1313-R1317 PolarHBondContact OE1-NH2 3.47Å; E1313-R1317 IonicContact OE2-NH2 2.71Å; E1313-R1317 PolarHBondContact OE2-NH2 3.34Å; V1315-R1317 PolarHBondContact O-N 2.89Å; R1317-E1320 WeakPolarHBondContact CA-OE2 3.41Å; R1317-T1321 PolarHBondContact O-N 3.28Å; R1317-T1321 PolarHBondContact O-OG1 3.28Å
1318C81.7Confident79.4Confident21 Ų2163.3 Ų63.314%0.14232%0.32CS..Hα-helixtrans-74.5-39.7173.9-63.40000111.9R1314 V1315 V1316 T1321 I1322 L1356R1314-C1318 PolarHBondContact O-N 2.65Å; R1314-C1318 PolarHBondContact O-SG 3.13Å; V1315-C1318 PolarHBondContact O-N 2.89Å; V1316-C1318 VanDerWaalsContact C-N 3.25Å; V1316-C1318 PolarHBondContact O-N 3.03Å; C1318-T1321 WeakPolarHBondContact O-CB 3.08Å; C1318-T1321 PolarHBondContact O-N 3.03Å; C1318-I1322 WeakPolarHBondContact O-CG1 3.37Å; C1318-I1322 PolarHBondContact O-N 3.37Å; C1318-I1322 VanDerWaalsContact O-N 3.08Å; C1318-L1356 HydrophobicContact CB-CB 3.88Å; C1318-L1356 HydrophobicContact CB-CD1 3.92Å; C1318-L1356 HydrophobicContact CB-CG 4.35Å
1319V86.5Confident80.6Confident2 Ų256.4 Ų56.41%0.01228%0.283CS..Hα-helixtrans-65.1-42174.4169.60000111.9V1315 V1316 T1321 I1322 I1323 L1356 A1435 L1439V1315-V1319 WeakPolarHBondContact O-CG2 3.37Å; V1315-V1319 PolarHBondContact O-N 2.95Å; V1316-V1319 PolarHBondContact O-N 3.07Å; V1319-T1321 VanDerWaalsContact C-N 3.28Å; V1319-T1321 PolarHBondContact O-N 3.25Å; V1319-I1322 WeakPolarHBondContact O-CB 3.42Å; V1319-I1322 PolarHBondContact O-N 2.99Å; V1319-I1322 VanDerWaalsContact O-N 3.17Å; V1319-I1323 HydrophobicContact CG1-CD1 3.81Å; V1319-I1323 HydrophobicContact CG1-CG1 4.44Å; V1319-I1323 WeakPolarHBondContact O-CG1 3.46Å; V1319-I1323 PolarHBondContact O-N 2.84Å; V1319-L1356 HydrophobicContact CG2-CD2 3.73Å; V1319-A1435 HydrophobicContact CG1-CB 3.95Å; V1319-A1435 HydrophobicContact CG2-CB 4.17Å; V1319-L1439 HydrophobicContact CB-CD1 3.84Å; V1319-L1439 HydrophobicContact CG1-CD1 3.63Å; V1319-L1439 HydrophobicContact CG2-CD1 4.25Å
1320E82.4Confident81.2Confident112 Ų11256.3 Ų56.352%0.52328%0.277SS..Hα-helixtrans-57.1-42.7173.2-71.2173.4149.600111.5V1316 R1317 I1322 I1323 M1324V1316-E1320 HydrophobicContact CG1-CG 4.18Å; V1316-E1320 WeakPolarHBondContact O-CG 3.5Å; V1316-E1320 PolarHBondContact O-N 3.29Å; R1317-E1320 WeakPolarHBondContact CA-OE2 3.41Å; E1320-I1322 PolarHBondContact O-N 3.27Å; E1320-I1323 PolarHBondContact O-N 3Å; E1320-M1324 WeakPolarHBondContact O-CB 3.16Å; E1320-M1324 PolarHBondContact O-N 2.86Å
1321T84.4Confident81.3Confident58 Ų5861.5 Ų61.536%0.35630%0.299SS..Hα-helixtrans-62.4-42.5176.4-57.40000111.6R1317 C1318 V1319 M1324 R1325 A1352R1317-T1321 PolarHBondContact O-N 3.28Å; R1317-T1321 PolarHBondContact O-OG1 3.28Å; C1318-T1321 WeakPolarHBondContact O-CB 3.08Å; C1318-T1321 PolarHBondContact O-N 3.03Å; V1319-T1321 VanDerWaalsContact C-N 3.28Å; V1319-T1321 PolarHBondContact O-N 3.25Å; T1321-M1324 PolarHBondContact O-N 3.47Å; T1321-R1325 WeakPolarHBondContact O-CG 3.18Å; T1321-R1325 PolarHBondContact O-N 3.15Å; T1321-R1325 VanDerWaalsContact O-N 3.1Å; T1321-A1352 HydrophobicContact CG2-CB 3.9Å
1322I86.7Confident81.1Confident0 Ų060.3 Ų60.30%029%0.287CS..Hα-helixtrans-61.5-47.1175.2-67.1164.5000110.7C1318 V1319 E1320 M1324 R1325 I1326 A1352 V1353 L1356 L1377 I1431C1318-I1322 WeakPolarHBondContact O-CG1 3.37Å; C1318-I1322 PolarHBondContact O-N 3.37Å; C1318-I1322 VanDerWaalsContact O-N 3.08Å; V1319-I1322 WeakPolarHBondContact O-CB 3.42Å; V1319-I1322 PolarHBondContact O-N 2.99Å; V1319-I1322 VanDerWaalsContact O-N 3.17Å; E1320-I1322 PolarHBondContact O-N 3.27Å; I1322-M1324 PolarHBondContact O-N 2.91Å; I1322-R1325 PolarHBondContact O-N 2.97Å; I1322-I1326 HydrophobicContact CG2-CD1 3.76Å; I1322-I1326 WeakPolarHBondContact O-CG1 3.26Å; I1322-I1326 PolarHBondContact O-N 3.04Å; I1322-A1352 HydrophobicContact CG1-CB 3.67Å; I1322-V1353 HydrophobicContact CD1-CG2 3.91Å; I1322-V1353 HydrophobicContact CG1-CG2 4.13Å; I1322-L1356 HydrophobicContact CD1-CB 4.14Å; I1322-L1356 HydrophobicContact CD1-CD2 3.65Å; I1322-L1377 HydrophobicContact CD1-CD2 4.28Å; I1322-I1431 HydrophobicContact CG2-CG2 3.67Å
1323I86.9Confident80.7Confident69 Ų6959.2 Ų59.235%0.35428%0.281SS..Hα-helixtrans-61.6-42.7179.1-67.6166.5000111.2V1319 E1320 R1325 I1326 R1327V1319-I1323 HydrophobicContact CG1-CD1 3.81Å; V1319-I1323 HydrophobicContact CG1-CG1 4.44Å; V1319-I1323 WeakPolarHBondContact O-CG1 3.46Å; V1319-I1323 PolarHBondContact O-N 2.84Å; E1320-I1323 PolarHBondContact O-N 3Å; I1323-R1325 PolarHBondContact O-N 3.38Å; I1323-I1326 PolarHBondContact O-N 2.95Å; I1323-R1327 PolarHBondContact O-N 3.4Å
1324M82.8Confident80.4Confident105 Ų10560.4 Ų60.452%0.51729%0.29SS..Hα-helixtrans-62.4-40.5177-174.3-177.267.100112.2E1320 T1321 I1322 R1327 S1328E1320-M1324 WeakPolarHBondContact O-CB 3.16Å; E1320-M1324 PolarHBondContact O-N 2.86Å; T1321-M1324 PolarHBondContact O-N 3.47Å; I1322-M1324 PolarHBondContact O-N 2.91Å; M1324-R1327 PolarHBondContact O-N 3.35Å; M1324-S1328 PolarHBondContact O-N 3.25Å
1325R86.1Confident79.6Confident86 Ų8656 Ų5633%0.32529%0.286SS..Hα-helixtrans-71-32.5176-63.1-57.5-177.8-170.8-1.8112.6T1321 I1322 I1323 S1328 L1329 L1348 I1349T1321-R1325 WeakPolarHBondContact O-CG 3.18Å; T1321-R1325 PolarHBondContact O-N 3.15Å; T1321-R1325 VanDerWaalsContact O-N 3.1Å; I1322-R1325 PolarHBondContact O-N 2.97Å; I1323-R1325 PolarHBondContact O-N 3.38Å; R1325-S1328 PolarHBondContact O-N 3.39Å; R1325-L1329 PolarHBondContact O-N 3.39Å; R1325-L1348 HydrophobicContact CG-CB 4.3Å; R1325-I1349 HydrophobicContact CB-CG1 3.58Å
1326I85.7Confident78.1Confident18 Ų1864 Ų649%0.09233%0.329CS..Hα-helixtrans-64.3-43.5172.1-74.1165.6000111.5I1322 I1323 S1328 L1329 V1330 I1349 A1428 I1431 A1432I1322-I1326 HydrophobicContact CG2-CD1 3.76Å; I1322-I1326 WeakPolarHBondContact O-CG1 3.26Å; I1322-I1326 PolarHBondContact O-N 3.04Å; I1323-I1326 PolarHBondContact O-N 2.95Å; I1326-S1328 PolarHBondContact O-N 2.95Å; I1326-L1329 PolarHBondContact O-N 3.26Å; I1326-V1330 WeakPolarHBondContact O-CG2 3.19Å; I1326-V1330 PolarHBondContact O-N 3.05Å; I1326-I1349 HydrophobicContact CG1-CD1 4.06Å; I1326-I1349 HydrophobicContact CG1-CG1 4.44Å; I1326-A1428 HydrophobicContact CG1-CB 4.49Å; I1326-A1428 HydrophobicContact CG2-CB 4.13Å; I1326-I1431 HydrophobicContact CD1-CB 4.15Å; I1326-I1431 HydrophobicContact CD1-CG2 3.89Å; I1326-A1432 HydrophobicContact CD1-CB 4.08Å
1327R82Confident76.4Confident154 Ų15470.2 Ų70.258%0.58135%0.348SS*.Hα-helixtrans-56.1-50.4174.4-74.9179.4173177.7-4.9111.5I1323 M1324 L1329 V1330 E1331I1323-R1327 PolarHBondContact O-N 3.4Å; M1324-R1327 PolarHBondContact O-N 3.35Å; R1327-L1329 VanDerWaalsContact C-N 3.32Å; R1327-L1329 PolarHBondContact O-N 3.41Å; R1327-V1330 PolarHBondContact O-N 2.85Å; R1327-E1331 WeakPolarHBondContact O-CG 3.23Å; R1327-E1331 PolarHBondContact O-N 2.96Å
1328S79.7Confident75.1Confident34 Ų3474.5 Ų74.524%0.23837%0.371CS..Hα-helixtrans-59.7-37.9177.7-178.20000113.3M1324 R1325 I1326 E1331 I1332M1324-S1328 PolarHBondContact O-N 3.25Å; R1325-S1328 PolarHBondContact O-N 3.39Å; I1326-S1328 PolarHBondContact O-N 2.95Å; S1328-E1331 PolarHBondContact O-N 3.42Å; S1328-I1332 WeakPolarHBondContact O-CD1 3.49Å; S1328-I1332 WeakPolarHBondContact O-CG1 3.42Å; S1328-I1332 PolarHBondContact O-N 3.39Å; S1328-I1332 VanDerWaalsContact O-N 3.1Å
1329L82.1Confident73.8Confident4 Ų474.1 Ų74.12%0.02137%0.37CS..Hα-helixtrans-64.9-40.7173.2179.666000112.2R1325 I1326 R1327 I1332 A1333 C1345 I1349 L1384 A1428R1325-L1329 PolarHBondContact O-N 3.39Å; I1326-L1329 PolarHBondContact O-N 3.26Å; R1327-L1329 VanDerWaalsContact C-N 3.32Å; R1327-L1329 PolarHBondContact O-N 3.41Å; L1329-I1332 PolarHBondContact O-N 3.15Å; L1329-A1333 WeakPolarHBondContact O-CB 3.08Å; L1329-A1333 PolarHBondContact O-N 2.9Å; L1329-C1345 HydrophobicContact CB-CB 4.2Å; L1329-C1345 HydrophobicContact CD1-CB 3.91Å; L1329-I1349 HydrophobicContact CB-CD1 4.09Å; L1329-I1349 HydrophobicContact CD2-CD1 3.71Å; L1329-L1384 HydrophobicContact CD2-CD1 3.99Å; L1329-L1384 HydrophobicContact CD2-CD2 3.93Å; L1329-L1384 HydrophobicContact CD2-CG 4.44Å; L1329-A1428 HydrophobicContact CD2-CB 4.46Å
1330V79.1Confident72.3Confident49 Ų4980 Ų8030%0.29740%0.401SS..Hα-helixtrans-68.9-37178.1172.40000111.6I1326 R1327 A1333 N1334I1326-V1330 WeakPolarHBondContact O-CG2 3.19Å; I1326-V1330 PolarHBondContact O-N 3.05Å; R1327-V1330 PolarHBondContact O-N 2.85Å; V1330-A1333 PolarHBondContact O-N 3.29Å; V1330-N1334 WeakPolarHBondContact O-CB 3.4Å; V1330-N1334 VanDerWaalsContact O-CG 3.24Å; V1330-N1334 PolarHBondContact O-N 3.38Å; V1330-N1334 VanDerWaalsContact O-N 3.08Å; V1330-N1334 PolarHBondContact O-ND2 3.46Å; V1330-N1334 VanDerWaalsContact O-ND2 3.11Å
1331E75.2Confident71.5Confident129 Ų12978.2 Ų78.260%0.60340%0.396SS*.Hα-helixtrans-61.4-46.3173.1-72.5159.4-160.600111.7R1327 S1328 N1334 G1335R1327-E1331 WeakPolarHBondContact O-CG 3.23Å; R1327-E1331 PolarHBondContact O-N 2.96Å; S1328-E1331 PolarHBondContact O-N 3.42Å; E1331-N1334 PolarHBondContact O-N 2.95Å; E1331-G1335 PolarHBondContact O-N 3.07Å
1332I72.4Confident70.8Confident43 Ų4376.1 Ų76.122%0.22138%0.383CS..Hα-helixtrans-64.5-43.1175.9-70160.6000111S1328 L1329 N1334 G1335 D1341 C1345S1328-I1332 WeakPolarHBondContact O-CD1 3.49Å; S1328-I1332 WeakPolarHBondContact O-CG1 3.42Å; S1328-I1332 PolarHBondContact O-N 3.39Å; S1328-I1332 VanDerWaalsContact O-N 3.1Å; L1329-I1332 PolarHBondContact O-N 3.15Å; I1332-N1334 PolarHBondContact O-N 3.03Å; I1332-G1335 PolarHBondContact O-N 3.16Å; I1332-G1335 VanDerWaalsContact O-N 3.12Å; I1332-D1341 HydrophobicContact CD1-CB 4.26Å; I1332-D1341 HydrophobicContact CG2-CB 3.82Å; I1332-C1345 WeakPolarHBondContact CD1-SG 3.18Å
1333A68.1Low70.3Confident18 Ų1876.4 Ų76.415%0.14939%0.385CS..Hα-helixtrans-63.6-21.8177.800000114.2L1329 V1330 I1421L1329-A1333 WeakPolarHBondContact O-CB 3.08Å; L1329-A1333 PolarHBondContact O-N 2.9Å; V1330-A1333 PolarHBondContact O-N 3.29Å; A1333-I1421 HydrophobicContact CB-CG2 3.82Å
1334N66.9Low69.9Low111 Ų11178.4 Ų78.459%0.59439%0.393SS*.THydrogen-bonded Turntrans-95.61.9177.1-71.3-29.8000113.5V1330 E1331 I1332V1330-N1334 WeakPolarHBondContact O-CB 3.4Å; V1330-N1334 VanDerWaalsContact O-CG 3.24Å; V1330-N1334 PolarHBondContact O-N 3.38Å; V1330-N1334 VanDerWaalsContact O-N 3.08Å; V1330-N1334 PolarHBondContact O-ND2 3.46Å; V1330-N1334 VanDerWaalsContact O-ND2 3.11Å; E1331-N1334 PolarHBondContact O-N 2.95Å; I1332-N1334 PolarHBondContact O-N 3.03Å
1335G60.6Low69.9Low41 Ų4173.7 Ų73.742%0.42337%0.37SS..SBendtrans-109.6154177.500000113.4E1331 I1332 R1337E1331-G1335 PolarHBondContact O-N 3.07Å; I1332-G1335 PolarHBondContact O-N 3.16Å; I1332-G1335 VanDerWaalsContact O-N 3.12Å; G1335-R1337 PolarHBondContact O-N 2.72Å
1336D48.6Very low69.9Low168 Ų16869.6 Ų69.690%0.89836%0.355SS*.SBendtrans-73.247.2178.6-66-57000113.7
1337R47.3Very low69.9Low173 Ų17374.6 Ų74.665%0.65337%0.373SS*.  trans-127.7109.9175.3-66.2-164.8-176.2-162.96.4111.3G1335G1335-R1337 PolarHBondContact O-N 2.72Å
1338H51.4Low70.1Confident170 Ų17069.1 Ų69.179%0.78736%0.355SS*.  trans-81.8148.8-172.8-64.9-68.2000114N1340H1338-N1340 PolarHBondContact O-N 2.95Å
1339G54.3Low70.5Confident12 Ų1267.5 Ų67.512%0.12434%0.343CS..SBendtrans79.9-101.2158.500000114.9D1341 S1342G1339-D1341 VanDerWaalsContact C-N 3.3Å; G1339-D1341 PolarHBondContact O-N 3.29Å; G1339-D1341 VanDerWaalsContact O-N 3.12Å; G1339-S1342 PolarHBondContact O-N 3.19Å; G1339-S1342 VanDerWaalsContact O-N 3.1Å; G1339-S1342 PolarHBondContact O-OG 2.9Å
1340N55.6Low70.8Confident125 Ų12569.4 Ų69.467%0.66835%0.352SS*.Hα-helixtrans-58.9-35-155.1-70.9-16.9000114.9H1338 S1342 A1343 H1344H1338-N1340 PolarHBondContact O-N 2.95Å; N1340-S1342 VanDerWaalsContact C-N 3.31Å; N1340-S1342 PolarHBondContact O-N 3.17Å; N1340-A1343 PolarHBondContact O-N 3.34Å; N1340-H1344 PolarHBondContact O-N 2.93Å; N1340-H1344 VanDerWaalsContact O-N 3.1Å
1341D64.9Low71.2Confident76 Ų7671.9 Ų71.941%0.40636%0.363SS..Hα-helixtrans-67.9-30.4-177.1-61-23.7000112.1I1332 G1339 H1344 C1345I1332-D1341 HydrophobicContact CD1-CB 4.26Å; I1332-D1341 HydrophobicContact CG2-CB 3.82Å; G1339-D1341 VanDerWaalsContact C-N 3.3Å; G1339-D1341 PolarHBondContact O-N 3.29Å; G1339-D1341 VanDerWaalsContact O-N 3.12Å; D1341-H1344 PolarHBondContact O-N 3.02Å; D1341-C1345 PolarHBondContact O-N 2.92Å
1342S70.2Confident71.8Confident14 Ų1466 Ų6610%0.09834%0.336CS..Hα-helixtrans-71.9-33.8177.277.90000112.5G1339 N1340 C1345 S1346 C1388G1339-S1342 PolarHBondContact O-N 3.19Å; G1339-S1342 VanDerWaalsContact O-N 3.1Å; G1339-S1342 PolarHBondContact O-OG 2.9Å; N1340-S1342 VanDerWaalsContact C-N 3.31Å; N1340-S1342 PolarHBondContact O-N 3.17Å; S1342-C1345 PolarHBondContact O-N 2.93Å; S1342-S1346 PolarHBondContact O-N 2.91Å; S1342-S1346 PolarHBondContact O-OG 3.41Å; S1342-C1388 PolarHBondContact O-SG 3.32Å; S1342-C1388 VanDerWaalsContact O-SG 3.32Å
1343A75.4Confident72.7Confident5 Ų564 Ų644%0.04133%0.326CS..Hα-helixtrans-76.2-24.9173.900000112.8N1340 S1346 R1347 C1388 T1392N1340-A1343 PolarHBondContact O-N 3.34Å; A1343-S1346 PolarHBondContact O-OG 3.19Å; A1343-R1347 WeakPolarHBondContact O-CD 3.39Å; A1343-R1347 VanDerWaalsContact O-CG 3.29Å; A1343-R1347 WeakPolarHBondContact O-CG 3.37Å; A1343-C1388 HydrophobicContact CB-CB 4.45Å; A1343-T1392 HydrophobicContact CB-CG2 3.72Å
1344H80.3Confident73.7Confident111 Ų11169.8 Ų69.851%0.51435%0.348SS..Hα-helixtrans-69.1-48.5166.6-172.479.3000110.8N1340 D1341 S1346 R1347 L1348N1340-H1344 PolarHBondContact O-N 2.93Å; N1340-H1344 VanDerWaalsContact O-N 3.1Å; D1341-H1344 PolarHBondContact O-N 3.02Å; H1344-S1346 PolarHBondContact O-N 3.14Å; H1344-R1347 PolarHBondContact O-N 2.84Å; H1344-L1348 PolarHBondContact O-N 3.34Å; H1344-L1348 VanDerWaalsContact O-N 3.11Å
1345C81.3Confident74.7Confident7 Ų769 Ų695%0.04734%0.344CS..Hα-helixtrans-68.2-34.2-178.6-780000114L1329 I1332 D1341 S1342 R1347 L1348 I1349L1329-C1345 HydrophobicContact CB-CB 4.2Å; L1329-C1345 HydrophobicContact CD1-CB 3.91Å; I1332-C1345 WeakPolarHBondContact CD1-SG 3.18Å; D1341-C1345 PolarHBondContact O-N 2.92Å; S1342-C1345 PolarHBondContact O-N 2.93Å; C1345-R1347 VanDerWaalsContact C-N 3.31Å; C1345-R1347 PolarHBondContact O-N 2.9Å; C1345-L1348 PolarHBondContact O-N 2.71Å; C1345-I1349 WeakPolarHBondContact O-CG1 3.41Å; C1345-I1349 PolarHBondContact O-N 2.99Å
1346S86.1Confident76Confident0 Ų067 Ų670%032%0.324CS..Hα-helixtrans-63.2-36.4173.367.60000112.5S1342 A1343 H1344 I1349 Q1350S1342-S1346 PolarHBondContact O-N 2.91Å; S1342-S1346 PolarHBondContact O-OG 3.41Å; A1343-S1346 PolarHBondContact O-OG 3.19Å; H1344-S1346 PolarHBondContact O-N 3.14Å; S1346-I1349 PolarHBondContact O-N 3.49Å; S1346-Q1350 WeakPolarHBondContact O-CB 3.42Å; S1346-Q1350 PolarHBondContact O-N 2.98Å
1347R86Confident77.8Confident122 Ų12261.6 Ų61.646%0.4629%0.294SS..Hα-helixtrans-66.7-39.8173-67.8168.9-172.51576112.1A1343 H1344 C1345 Q1350 L1351 E1389A1343-R1347 WeakPolarHBondContact O-CD 3.39Å; A1343-R1347 VanDerWaalsContact O-CG 3.29Å; A1343-R1347 WeakPolarHBondContact O-CG 3.37Å; H1344-R1347 PolarHBondContact O-N 2.84Å; C1345-R1347 VanDerWaalsContact C-N 3.31Å; C1345-R1347 PolarHBondContact O-N 2.9Å; R1347-Q1350 PolarHBondContact O-N 3.43Å; R1347-L1351 WeakPolarHBondContact O-CG 3.33Å; R1347-L1351 PolarHBondContact O-N 3.2Å; R1347-E1389 IonicContact CZ-OE1 3.17Å; R1347-E1389 IonicContact NE-OE1 3.13Å; R1347-E1389 PolarHBondContact NE-OE1 3.31Å; R1347-E1389 VanDerWaalsContact NE-OE1 3.07Å; R1347-E1389 IonicContact NH2-OE1 2.69Å; R1347-E1389 PolarHBondContact NH2-OE1 2.89Å
1348L86Confident79.7Confident39 Ų3957.3 Ų57.320%0.20429%0.291CS..Hα-helixtrans-65-36.9174.1-66.7178.4000112.6R1325 H1344 C1345 A1352R1325-L1348 HydrophobicContact CG-CB 4.3Å; H1344-L1348 PolarHBondContact O-N 3.34Å; H1344-L1348 VanDerWaalsContact O-N 3.11Å; C1345-L1348 PolarHBondContact O-N 2.71Å; L1348-A1352 PolarHBondContact O-N 3.27Å; L1348-A1352 VanDerWaalsContact O-N 3.13Å
1349I88Confident81.2Confident0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-66.5-46172.8-67.1165.7000110.2R1325 I1326 L1329 C1345 S1346 L1351 A1352 V1353 L1384 I1431R1325-I1349 HydrophobicContact CB-CG1 3.58Å; I1326-I1349 HydrophobicContact CG1-CD1 4.06Å; I1326-I1349 HydrophobicContact CG1-CG1 4.44Å; L1329-I1349 HydrophobicContact CB-CD1 4.09Å; L1329-I1349 HydrophobicContact CD2-CD1 3.71Å; C1345-I1349 WeakPolarHBondContact O-CG1 3.41Å; C1345-I1349 PolarHBondContact O-N 2.99Å; S1346-I1349 PolarHBondContact O-N 3.49Å; I1349-L1351 VanDerWaalsContact C-N 3.32Å; I1349-L1351 PolarHBondContact O-N 3.23Å; I1349-A1352 PolarHBondContact O-N 3.49Å; I1349-V1353 HydrophobicContact CG2-CG2 4.37Å; I1349-V1353 WeakPolarHBondContact O-CB 3.17Å; I1349-V1353 WeakPolarHBondContact O-CG2 3.28Å; I1349-V1353 PolarHBondContact O-N 3.04Å; I1349-L1384 HydrophobicContact CB-CD2 4.5Å; I1349-L1384 HydrophobicContact CD1-CD2 3.75Å; I1349-L1384 HydrophobicContact CG2-CD2 4.19Å; I1349-I1431 HydrophobicContact CG2-CD1 3.98Å; I1349-I1431 HydrophobicContact CG2-CG2 4.44Å
1350Q88.6Confident82.5Confident45 Ų4550.6 Ų50.621%0.2126%0.257CS..Hα-helixtrans-61.4-37.3177.5177.5161.784.800112.5S1346 R1347 K1354 E1382S1346-Q1350 WeakPolarHBondContact O-CB 3.42Å; S1346-Q1350 PolarHBondContact O-N 2.98Å; R1347-Q1350 PolarHBondContact O-N 3.43Å; Q1350-K1354 VanDerWaalsContact O-CB 3.31Å; Q1350-K1354 WeakPolarHBondContact O-CB 3.32Å; Q1350-K1354 PolarHBondContact O-N 3.17Å; Q1350-E1382 PolarHBondContact NE2-OE2 2.98Å
1351L88.4Confident83Confident101 Ų10148.9 Ų48.953%0.52925%0.251SS..Hα-helixtrans-63.8-48172.8-73.8170.9000111.7R1347 I1349 V1353 K1354 D1355R1347-L1351 WeakPolarHBondContact O-CG 3.33Å; R1347-L1351 PolarHBondContact O-N 3.2Å; I1349-L1351 VanDerWaalsContact C-N 3.32Å; I1349-L1351 PolarHBondContact O-N 3.23Å; L1351-V1353 VanDerWaalsContact C-N 3.32Å; L1351-V1353 PolarHBondContact O-N 2.85Å; L1351-K1354 WeakPolarHBondContact O-CB 3.06Å; L1351-K1354 PolarHBondContact O-N 3.44Å; L1351-K1354 VanDerWaalsContact O-N 3.11Å; L1351-D1355 PolarHBondContact O-N 3.04Å
1352A88.4Confident82.6Confident4 Ų451.5 Ų51.53%0.03328%0.275CS..Hα-helixtrans-63.7-35.7178.100000113T1321 I1322 L1348 I1349 L1356T1321-A1352 HydrophobicContact CG2-CB 3.9Å; I1322-A1352 HydrophobicContact CG1-CB 3.67Å; L1348-A1352 PolarHBondContact O-N 3.27Å; L1348-A1352 VanDerWaalsContact O-N 3.13Å; I1349-A1352 PolarHBondContact O-N 3.49Å; A1352-L1356 PolarHBondContact O-N 2.73Å; A1352-L1356 VanDerWaalsContact O-N 3.09Å
1353V90.5Very high81.8Confident1 Ų155.8 Ų55.81%0.00630%0.297CS..Hα-helixtrans-66.1-41.8171.7166.50000111.2I1322 I1349 L1351 L1356 L1357 L1377 I1431I1322-V1353 HydrophobicContact CD1-CG2 3.91Å; I1322-V1353 HydrophobicContact CG1-CG2 4.13Å; I1349-V1353 HydrophobicContact CG2-CG2 4.37Å; I1349-V1353 WeakPolarHBondContact O-CB 3.17Å; I1349-V1353 WeakPolarHBondContact O-CG2 3.28Å; I1349-V1353 PolarHBondContact O-N 3.04Å; L1351-V1353 VanDerWaalsContact C-N 3.32Å; L1351-V1353 PolarHBondContact O-N 2.85Å; V1353-L1356 PolarHBondContact O-N 3.31Å; V1353-L1357 HydrophobicContact CG1-CD1 3.8Å; V1353-L1357 HydrophobicContact CG1-CG 4.42Å; V1353-L1357 WeakPolarHBondContact O-CB 3.48Å; V1353-L1357 VanDerWaalsContact O-CG 3.3Å; V1353-L1357 WeakPolarHBondContact O-CG 3.29Å; V1353-L1357 PolarHBondContact O-N 2.94Å; V1353-L1377 HydrophobicContact CB-CD2 4.44Å; V1353-L1377 HydrophobicContact CG1-CD2 3.88Å; V1353-L1377 HydrophobicContact CG1-CG 3.84Å; V1353-L1377 HydrophobicContact CG2-CD1 4.27Å; V1353-L1377 HydrophobicContact CG2-CD2 4.2Å; V1353-L1377 HydrophobicContact CG2-CG 3.98Å; V1353-I1431 HydrophobicContact CG2-CG2 4.17Å
1354K90.1Very high80.8Confident141 Ų14163 Ų6361%0.61333%0.33SS*.Hα-helixtrans-65.5-38.1176-172.5176.2-179.7179.20112.4Q1350 L1351 L1357 S1358Q1350-K1354 VanDerWaalsContact O-CB 3.31Å; Q1350-K1354 WeakPolarHBondContact O-CB 3.32Å; Q1350-K1354 PolarHBondContact O-N 3.17Å; L1351-K1354 WeakPolarHBondContact O-CB 3.06Å; L1351-K1354 PolarHBondContact O-N 3.44Å; L1351-K1354 VanDerWaalsContact O-N 3.11Å; K1354-L1357 PolarHBondContact O-N 2.71Å; K1354-S1358 WeakPolarHBondContact O-CB 3.33Å; K1354-S1358 PolarHBondContact O-N 3.24Å
1355D86.7Confident79.8Confident94 Ų9459.6 Ų59.650%0.50332%0.318SS..Hα-helixtrans-63.8-42.2174.3-73-20.1000111L1351 S1358L1351-D1355 PolarHBondContact O-N 3.04Å; D1355-S1358 PolarHBondContact O-N 3.01Å; D1355-S1358 PolarHBondContact O-OG 3.46Å
1356L87.2Confident79.3Confident0 Ų060.3 Ų60.30%032%0.321CS..Hα-helixtrans-63.4-46.4173179.852000112V1315 C1318 V1319 I1322 A1352 V1353 S1358 L1359 F1360 L1377 L1438V1315-L1356 HydrophobicContact CG1-CD1 4.2Å; C1318-L1356 HydrophobicContact CB-CB 3.88Å; C1318-L1356 HydrophobicContact CB-CD1 3.92Å; C1318-L1356 HydrophobicContact CB-CG 4.35Å; V1319-L1356 HydrophobicContact CG2-CD2 3.73Å; I1322-L1356 HydrophobicContact CD1-CB 4.14Å; I1322-L1356 HydrophobicContact CD1-CD2 3.65Å; A1352-L1356 PolarHBondContact O-N 2.73Å; A1352-L1356 VanDerWaalsContact O-N 3.09Å; V1353-L1356 PolarHBondContact O-N 3.31Å; L1356-S1358 VanDerWaalsContact C-N 3.25Å; L1356-S1358 PolarHBondContact O-N 3.21Å; L1356-L1359 HydrophobicContact CD1-CD1 4.06Å; L1356-L1359 WeakPolarHBondContact O-CB 3.44Å; L1356-L1359 WeakPolarHBondContact O-CG 3.42Å; L1356-L1359 PolarHBondContact O-N 3.16Å; L1356-L1359 VanDerWaalsContact O-N 3.14Å; L1356-F1360 HydrophobicContact CD1-CE2 3.97Å; L1356-F1360 VanDerWaalsContact O-CD2 3.29Å; L1356-F1360 WeakPolarHBondContact O-CD2 3.46Å; L1356-F1360 WeakPolarHBondContact O-CE2 3.44Å; L1356-L1377 HydrophobicContact CD2-CD2 3.72Å; L1356-L1377 HydrophobicContact CG-CD2 4.34Å; L1356-L1438 HydrophobicContact CD2-CD1 4.28Å
1357L87.9Confident78.9Confident54 Ų5462.7 Ų62.728%0.28334%0.336SS..Hα-helixtrans-59-36.5175.6-72.4162.4000111.7V1353 K1354 L1359 F1360 L1374 A1378V1353-L1357 HydrophobicContact CG1-CD1 3.8Å; V1353-L1357 HydrophobicContact CG1-CG 4.42Å; V1353-L1357 WeakPolarHBondContact O-CB 3.48Å; V1353-L1357 VanDerWaalsContact O-CG 3.3Å; V1353-L1357 WeakPolarHBondContact O-CG 3.29Å; V1353-L1357 PolarHBondContact O-N 2.94Å; K1354-L1357 PolarHBondContact O-N 2.71Å; L1357-L1359 PolarHBondContact O-N 2.91Å; L1357-L1359 VanDerWaalsContact O-N 3.1Å; L1357-F1360 PolarHBondContact O-N 3.07Å; L1357-L1374 HydrophobicContact CD2-CB 3.99Å; L1357-L1374 HydrophobicContact CD2-CD2 3.97Å; L1357-L1374 HydrophobicContact CD2-CG 4.49Å; L1357-A1378 HydrophobicContact CD1-CB 3.97Å
1358S86.2Confident78.5Confident82 Ų8263.9 Ų63.957%0.57335%0.349SS*.THydrogen-bonded Turntrans-65.2-11178.582.10000114.9K1354 D1355 L1356 F1360K1354-S1358 WeakPolarHBondContact O-CB 3.33Å; K1354-S1358 PolarHBondContact O-N 3.24Å; D1355-S1358 PolarHBondContact O-N 3.01Å; D1355-S1358 PolarHBondContact O-OG 3.46Å; L1356-S1358 VanDerWaalsContact C-N 3.25Å; L1356-S1358 PolarHBondContact O-N 3.21Å; S1358-F1360 VanDerWaalsContact C-N 3.28Å
1359L83.2Confident78.2Confident21 Ų2167.5 Ų67.511%0.1137%0.365CS..THydrogen-bonded Turntrans-77.6-14.8173.2-52.4-169.3000113P1310 R1314 V1315 L1356 L1357P1310-L1359 HydrophobicContact CB-CB 3.98Å; P1310-L1359 HydrophobicContact CG-CB 4.18Å; R1314-L1359 HydrophobicContact CB-CD1 4.33Å; R1314-L1359 HydrophobicContact CG-CD1 3.88Å; R1314-L1359 HydrophobicContact CG-CD2 4.03Å; R1314-L1359 VanDerWaalsContact CZ-CD2 3.4Å; V1315-L1359 HydrophobicContact CG2-CD1 4.2Å; L1356-L1359 HydrophobicContact CD1-CD1 4.06Å; L1356-L1359 WeakPolarHBondContact O-CB 3.44Å; L1356-L1359 WeakPolarHBondContact O-CG 3.42Å; L1356-L1359 PolarHBondContact O-N 3.16Å; L1356-L1359 VanDerWaalsContact O-N 3.14Å; L1357-L1359 PolarHBondContact O-N 2.91Å; L1357-L1359 VanDerWaalsContact O-N 3.1Å
1360F80.9Confident78Confident20 Ų2067.8 Ų67.89%0.08837%0.366CS..SBendtrans-111.6117.6-176.1-59.5-94.3000108.6W1307 P1310 V1315 L1356 L1357 S1358 H1366 V1370 L1374 F1442W1307-F1360 HydrophobicContact CZ2-CD1 4.33Å; W1307-F1360 HydrophobicContact CZ2-CE1 4.19Å; P1310-F1360 HydrophobicContact CG-CD1 4.11Å; P1310-F1360 HydrophobicContact CG-CE1 3.73Å; P1310-F1360 HydrophobicContact CG-CE2 4.33Å; P1310-F1360 HydrophobicContact CG-CZ 3.84Å; V1315-F1360 HydrophobicContact CG2-CZ 4.32Å; L1356-F1360 HydrophobicContact CD1-CE2 3.97Å; L1356-F1360 VanDerWaalsContact O-CD2 3.29Å; L1356-F1360 WeakPolarHBondContact O-CD2 3.46Å; L1356-F1360 WeakPolarHBondContact O-CE2 3.44Å; L1357-F1360 PolarHBondContact O-N 3.07Å; S1358-F1360 VanDerWaalsContact C-N 3.28Å; F1360-H1366 AromaticContact CD1-CE1 3.96Å; F1360-H1366 AromaticContact CD1-ND1 3.81Å; F1360-V1370 HydrophobicContact CD1-CG1 4.21Å; F1360-V1370 HydrophobicContact CE1-CG1 3.82Å; F1360-L1374 HydrophobicContact CB-CD1 4.07Å; F1360-L1374 HydrophobicContact CD1-CD1 3.79Å; F1360-L1374 HydrophobicContact CD2-CD1 3.98Å; F1360-L1374 HydrophobicContact CD2-CD2 3.72Å; F1360-L1374 HydrophobicContact CE1-CD1 4.2Å; F1360-L1374 HydrophobicContact CE2-CD1 4.4Å; F1360-L1374 HydrophobicContact CE2-CD2 3.65Å; F1360-L1374 HydrophobicContact CG-CD1 3.67Å; F1360-L1374 HydrophobicContact CG-CD2 4.29Å; F1360-L1374 HydrophobicContact CZ-CD2 4.14Å; F1360-F1442 AromaticContact CE1-CE2 3.9Å; F1360-F1442 HydrophobicContact CE1-CE2 3.9Å; F1360-F1442 AromaticContact CE1-CZ 3.77Å; F1360-F1442 HydrophobicContact CE1-CZ 3.77Å; F1360-F1442 AromaticContact CZ-CE2 3.88Å; F1360-F1442 HydrophobicContact CZ-CE2 3.88Å; F1360-F1442 HydrophobicContact CZ-CZ 4.01Å
1361T66.6Low77.7Confident90 Ų9068.7 Ų68.755%0.55237%0.37SS*.  trans-67.3152.117752.10000111.1D1363 H1366T1361-D1363 PolarHBondContact O-N 2.84Å; T1361-H1366 PolarHBondContact O-CE1 3.33Å; T1361-H1366 PolarHBondContact O-NE2 2.8Å
1362S57Low77.5Confident130 Ų13066.7 Ų66.791%0.90936%0.364SS*.SBendtrans-70.512.2-173.6-45.20000115.9
1363D53.2Low77.4Confident105 Ų10566.9 Ų66.956%0.56137%0.366SS*.SBendtrans-78.9152.2-179.2-71.7-59.4000112.4T1361 S1365 H1366T1361-D1363 PolarHBondContact O-N 2.84Å; D1363-S1365 PolarHBondContact O-N 3.4Å; D1363-S1365 VanDerWaalsContact O-N 3.09Å; D1363-H1366 PolarHBondContact O-CD2 2.89Å; D1363-H1366 PolarHBondContact O-NE2 3.22Å
1364E54Low77.2Confident156 Ų15667.4 Ų67.473%0.72937%0.369SS*.THydrogen-bonded Turntrans-70.5-2.9-172.5-75.6-9683.800115.2H1366 K1371E1364-H1366 PolarHBondContact O-N 2.68Å; E1364-K1371 IonicContact OE1-NZ 3.68Å; E1364-K1371 PolarHBondContact OE1-NZ 3.36Å
1365S59.9Low77.1Confident39 Ų3965.3 Ų65.327%0.27336%0.364SS..THydrogen-bonded Turntrans-87.44.5-165.256.60000116.7D1363D1363-S1365 PolarHBondContact O-N 3.4Å; D1363-S1365 VanDerWaalsContact O-N 3.09Å
1366H71.4Confident77.1Confident23 Ų2364.8 Ų64.811%0.10636%0.361CS..SBendtrans-69.8140.1174.6-53.4-80.7000111.6W1307 F1360 T1361 D1363 E1364 V1370W1307-H1366 AromaticContact CD1-ND1 3.84Å; W1307-H1366 AromaticContact CE2-ND1 3.56Å; W1307-H1366 AromaticContact CZ2-ND1 3.81Å; W1307-H1366 AromaticContact NE1-CE1 3.46Å; W1307-H1366 PolarHBondContact NE1-CE1 3.01Å; W1307-H1366 AromaticContact NE1-CG 3.95Å; W1307-H1366 AromaticContact NE1-ND1 2.95Å; W1307-H1366 PolarHBondContact NE1-ND1 3.1Å; F1360-H1366 AromaticContact CD1-CE1 3.96Å; F1360-H1366 AromaticContact CD1-ND1 3.81Å; T1361-H1366 PolarHBondContact O-CE1 3.33Å; T1361-H1366 PolarHBondContact O-NE2 2.8Å; D1363-H1366 PolarHBondContact O-CD2 2.89Å; D1363-H1366 PolarHBondContact O-NE2 3.22Å; E1364-H1366 PolarHBondContact O-N 2.68Å; H1366-V1370 HydrophobicContact CB-CG1 4.42Å
1367P77.9Confident77.2Confident49 Ų4964.8 Ų64.832%0.31836%0.361SS..  trans-53.4146.8170.9-26.134.4000112.5W1307 E1369 V1370 K1371W1307-P1367 HydrophobicContact CE3-CG 3.84Å; W1307-P1367 HydrophobicContact CH2-CG 4.39Å; W1307-P1367 HydrophobicContact CZ3-CG 3.71Å; P1367-E1369 PolarHBondContact O-N 2.94Å; P1367-V1370 HydrophobicContact CB-CG2 4.17Å; P1367-V1370 HydrophobicContact CG-CG2 4.28Å; P1367-V1370 WeakPolarHBondContact O-CA 3.35Å; P1367-V1370 WeakPolarHBondContact O-CB 3.26Å; P1367-V1370 PolarHBondContact O-N 3.27Å; P1367-K1371 PolarHBondContact O-N 2.91Å
1368M76.6Confident77.3Confident147 Ų14763.8 Ų63.872%0.72436%0.361SS*.Hα-helixtrans-59.8-31.9-175.2-80.7-75.1-79.600112.9S1372M1368-S1372 WeakPolarHBondContact O-CB 3.37Å; M1368-S1372 PolarHBondContact O-N 3.36Å
1369E79.3Confident77.5Confident116 Ų11663.5 Ų63.554%0.54236%0.356SS..Hα-helixtrans-65-42.9174.8-59.473.6-164.600111.3P1367 A1373 L1441P1367-E1369 PolarHBondContact O-N 2.94Å; E1369-A1373 WeakPolarHBondContact O-CB 3.37Å; E1369-A1373 PolarHBondContact O-N 2.8Å; E1369-L1441 HydrophobicContact CB-CD1 3.79Å; E1369-L1441 HydrophobicContact CB-CD2 4.05Å
1370V83.6Confident77.8Confident5 Ų563.5 Ų63.53%0.0336%0.355CS..Hα-helixtrans-69.8-47.7177.3178.90000110W1307 F1360 H1366 P1367 S1372 A1373 L1374 L1438 L1441W1307-V1370 HydrophobicContact CH2-CG1 4.36Å; W1307-V1370 HydrophobicContact CH2-CG2 3.97Å; W1307-V1370 HydrophobicContact CZ2-CG1 4.28Å; F1360-V1370 HydrophobicContact CD1-CG1 4.21Å; F1360-V1370 HydrophobicContact CE1-CG1 3.82Å; H1366-V1370 HydrophobicContact CB-CG1 4.42Å; P1367-V1370 HydrophobicContact CB-CG2 4.17Å; P1367-V1370 HydrophobicContact CG-CG2 4.28Å; P1367-V1370 WeakPolarHBondContact O-CA 3.35Å; P1367-V1370 WeakPolarHBondContact O-CB 3.26Å; P1367-V1370 PolarHBondContact O-N 3.27Å; V1370-S1372 VanDerWaalsContact C-N 3.32Å; V1370-S1372 PolarHBondContact O-N 3.29Å; V1370-A1373 PolarHBondContact O-N 3.1Å; V1370-L1374 HydrophobicContact CG1-CD1 3.82Å; V1370-L1374 HydrophobicContact CG1-CG 4.3Å; V1370-L1374 WeakPolarHBondContact O-CB 3.46Å; V1370-L1374 VanDerWaalsContact O-CG 3.28Å; V1370-L1374 WeakPolarHBondContact O-CG 3.34Å; V1370-L1374 PolarHBondContact O-N 3.13Å; V1370-L1438 HydrophobicContact CG1-CD2 4.07Å; V1370-L1441 HydrophobicContact CG2-CD1 3.84Å
1371K82.9Confident78.2Confident64 Ų6462.9 Ų62.928%0.27835%0.353SS..Hα-helixtrans-59.3-41.8177.4-161.2172.1-170.1171.70111.5E1364 P1367 N1375E1364-K1371 IonicContact OE1-NZ 3.68Å; E1364-K1371 PolarHBondContact OE1-NZ 3.36Å; P1367-K1371 PolarHBondContact O-N 2.91Å; K1371-N1375 WeakPolarHBondContact O-CB 3.48Å; K1371-N1375 PolarHBondContact O-N 3.48Å; K1371-N1375 PolarHBondContact O-ND2 3.45Å
1372S84.7Confident79.2Confident60 Ų6061.6 Ų61.642%0.4234%0.341SS..Hα-helixtrans-62.2-51173.9-179.20000112.1M1368 V1370 L1374 N1375 N1376M1368-S1372 WeakPolarHBondContact O-CB 3.37Å; M1368-S1372 PolarHBondContact O-N 3.36Å; V1370-S1372 VanDerWaalsContact C-N 3.32Å; V1370-S1372 PolarHBondContact O-N 3.29Å; S1372-L1374 PolarHBondContact O-N 3Å; S1372-N1375 PolarHBondContact O-N 3.21Å; S1372-N1376 VanDerWaalsContact O-CG 3.22Å; S1372-N1376 PolarHBondContact O-N 3.44Å; S1372-N1376 PolarHBondContact O-ND2 2.99Å
1373A85.7Confident80.8Confident7 Ų757.2 Ų57.26%0.05831%0.307CS..Hα-helixtrans-68-36.2-177.300000113E1369 V1370 L1377 L1438E1369-A1373 WeakPolarHBondContact O-CB 3.37Å; E1369-A1373 PolarHBondContact O-N 2.8Å; V1370-A1373 PolarHBondContact O-N 3.1Å; A1373-L1377 WeakPolarHBondContact O-CB 3.48Å; A1373-L1377 PolarHBondContact O-N 2.96Å; A1373-L1438 HydrophobicContact CB-CD1 4.41Å; A1373-L1438 HydrophobicContact CB-CD2 3.82Å; A1373-L1438 HydrophobicContact CB-CG 3.67Å
1374L87.4Confident82.4Confident13 Ų1352.2 Ų52.27%0.06828%0.28CS..Hα-helixtrans-64.2-43.5171.6-67.4170.6000111.9L1357 F1360 V1370 S1372 L1377 A1378 L1438L1357-L1374 HydrophobicContact CD2-CB 3.99Å; L1357-L1374 HydrophobicContact CD2-CD2 3.97Å; L1357-L1374 HydrophobicContact CD2-CG 4.49Å; F1360-L1374 HydrophobicContact CB-CD1 4.07Å; F1360-L1374 HydrophobicContact CD1-CD1 3.79Å; F1360-L1374 HydrophobicContact CD2-CD1 3.98Å; F1360-L1374 HydrophobicContact CD2-CD2 3.72Å; F1360-L1374 HydrophobicContact CE1-CD1 4.2Å; F1360-L1374 HydrophobicContact CE2-CD1 4.4Å; F1360-L1374 HydrophobicContact CE2-CD2 3.65Å; F1360-L1374 HydrophobicContact CG-CD1 3.67Å; F1360-L1374 HydrophobicContact CG-CD2 4.29Å; F1360-L1374 HydrophobicContact CZ-CD2 4.14Å; V1370-L1374 HydrophobicContact CG1-CD1 3.82Å; V1370-L1374 HydrophobicContact CG1-CG 4.3Å; V1370-L1374 WeakPolarHBondContact O-CB 3.46Å; V1370-L1374 VanDerWaalsContact O-CG 3.28Å; V1370-L1374 WeakPolarHBondContact O-CG 3.34Å; V1370-L1374 PolarHBondContact O-N 3.13Å; S1372-L1374 PolarHBondContact O-N 3Å; L1374-L1377 PolarHBondContact O-N 2.64Å; L1374-A1378 WeakPolarHBondContact O-CB 3.49Å; L1374-A1378 PolarHBondContact O-N 2.96Å; L1374-L1438 HydrophobicContact CD2-CD1 3.73Å; L1374-L1438 HydrophobicContact CD2-CD2 4.12Å; L1374-L1438 HydrophobicContact CG-CD1 4.37Å; L1374-L1438 HydrophobicContact CG-CD2 4.09Å
1375N86.6Confident84Confident96 Ų9648.1 Ų48.151%0.51326%0.258SS..Hα-helixtrans-63.3-43176.8-76.4-15.6000112.1K1371 S1372 A1378 T1379K1371-N1375 WeakPolarHBondContact O-CB 3.48Å; K1371-N1375 PolarHBondContact O-N 3.48Å; K1371-N1375 PolarHBondContact O-ND2 3.45Å; S1372-N1375 PolarHBondContact O-N 3.21Å; N1375-A1378 PolarHBondContact O-N 2.94Å; N1375-T1379 WeakPolarHBondContact O-CB 3.2Å; N1375-T1379 PolarHBondContact O-N 2.87Å; N1375-T1379 PolarHBondContact O-OG1 3.37Å
1376N87.7Confident85.2Confident84 Ų8451 Ų5145%0.44926%0.263SS..Hα-helixtrans-62.2-45.1175.9-68.8-26.9000111.1S1372 T1379 E1380 A1434S1372-N1376 VanDerWaalsContact O-CG 3.22Å; S1372-N1376 PolarHBondContact O-N 3.44Å; S1372-N1376 PolarHBondContact O-ND2 2.99Å; N1376-T1379 PolarHBondContact O-N 2.62Å; N1376-E1380 WeakPolarHBondContact O-CB 3.3Å; N1376-E1380 WeakPolarHBondContact O-CG 3.41Å; N1376-E1380 PolarHBondContact O-N 3.22Å; N1376-A1434 HydrophobicContact CB-CB 4.22Å
1377L88.7Confident85.7Confident0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-60.9-45.5177.5-168.780.3000112I1322 V1353 L1356 A1373 L1374 S1381 I1431 A1434 A1435 L1438I1322-L1377 HydrophobicContact CD1-CD2 4.28Å; V1353-L1377 HydrophobicContact CB-CD2 4.44Å; V1353-L1377 HydrophobicContact CG1-CD2 3.88Å; V1353-L1377 HydrophobicContact CG1-CG 3.84Å; V1353-L1377 HydrophobicContact CG2-CD1 4.27Å; V1353-L1377 HydrophobicContact CG2-CD2 4.2Å; V1353-L1377 HydrophobicContact CG2-CG 3.98Å; L1356-L1377 HydrophobicContact CD2-CD2 3.72Å; L1356-L1377 HydrophobicContact CG-CD2 4.34Å; A1373-L1377 WeakPolarHBondContact O-CB 3.48Å; A1373-L1377 PolarHBondContact O-N 2.96Å; L1374-L1377 PolarHBondContact O-N 2.64Å; L1377-S1381 WeakPolarHBondContact O-CB 3.48Å; L1377-S1381 PolarHBondContact O-N 3.17Å; L1377-S1381 VanDerWaalsContact O-N 3.09Å; L1377-I1431 HydrophobicContact CD1-CB 4.49Å; L1377-I1431 HydrophobicContact CD1-CG2 3.68Å; L1377-I1431 WeakPolarHBondContact CD1-O 3.5Å; L1377-A1434 HydrophobicContact CB-CB 4.13Å; L1377-A1434 HydrophobicContact CD1-CB 4.08Å; L1377-A1435 HydrophobicContact CD1-CB 4.01Å; L1377-L1438 HydrophobicContact CD2-CD1 4.39Å
1378A89.4Confident85.8Confident33 Ų3349.2 Ų49.227%0.27325%0.252SS..Hα-helixtrans-61.7-52.7177.100000111.5L1357 L1374 N1375 E1380 S1381 E1382L1357-A1378 HydrophobicContact CD1-CB 3.97Å; L1374-A1378 WeakPolarHBondContact O-CB 3.49Å; L1374-A1378 PolarHBondContact O-N 2.96Å; N1375-A1378 PolarHBondContact O-N 2.94Å; A1378-E1380 PolarHBondContact O-N 2.67Å; A1378-S1381 PolarHBondContact O-N 3.4Å; A1378-S1381 PolarHBondContact O-OG 3.3Å; A1378-E1382 PolarHBondContact O-N 3.4Å
1379T90.7Very high85.8Confident76 Ų7644.2 Ų44.247%0.46623%0.226SC..Hα-helixtrans-59.3-46-177.9-56.50000111.7N1375 N1376 E1382 N1383N1375-T1379 WeakPolarHBondContact O-CB 3.2Å; N1375-T1379 PolarHBondContact O-N 2.87Å; N1375-T1379 PolarHBondContact O-OG1 3.37Å; N1376-T1379 PolarHBondContact O-N 2.62Å; T1379-E1382 PolarHBondContact O-N 3.46Å; T1379-N1383 PolarHBondContact O-N 3.05Å
1380E89.8Confident85.5Confident21 Ų2144 Ų4410%0.09823%0.225CC..Hα-helixtrans-72-30.6-178.7-73.9-68.4100.300113.3N1376 A1378 E1382 N1383 L1384 H1427 Q1430 I1431N1376-E1380 WeakPolarHBondContact O-CB 3.3Å; N1376-E1380 WeakPolarHBondContact O-CG 3.41Å; N1376-E1380 PolarHBondContact O-N 3.22Å; A1378-E1380 PolarHBondContact O-N 2.67Å; E1380-E1382 VanDerWaalsContact C-N 3.32Å; E1380-E1382 PolarHBondContact O-N 2.99Å; E1380-N1383 PolarHBondContact O-N 3.32Å; E1380-N1383 PolarHBondContact OE1-ND2 3.06Å; E1380-L1384 WeakPolarHBondContact O-CB 3.44Å; E1380-L1384 PolarHBondContact O-N 3.42Å; E1380-H1427 VanDerWaalsContact CD-ND1 3.32Å; E1380-H1427 IonicContact OE1-CE1 3.39Å; E1380-H1427 IonicContact OE1-ND1 3.15Å; E1380-H1427 PolarHBondContact OE1-ND1 3.14Å; E1380-H1427 IonicContact OE2-CE1 3.56Å; E1380-H1427 IonicContact OE2-CG 2.77Å; E1380-H1427 IonicContact OE2-ND1 3.82Å; E1380-H1427 PolarHBondContact OE2-ND1 3.14Å; E1380-Q1430 HydrophobicContact CG-CB 3.92Å; E1380-Q1430 VanDerWaalsContact OE2-CB 3.25Å; E1380-Q1430 WeakPolarHBondContact OE2-CB 2.98Å; E1380-Q1430 VanDerWaalsContact OE2-CD 3.31Å; E1380-Q1430 PolarHBondContact OE2-NE2 2.76Å; E1380-I1431 HydrophobicContact CB-CG1 3.68Å
1381S89.6Confident84.9Confident6 Ų645.4 Ų45.44%0.04223%0.233CC..Hα-helixtrans-65.3-36172.478.10000112.8L1377 A1378 R1385L1377-S1381 WeakPolarHBondContact O-CB 3.48Å; L1377-S1381 PolarHBondContact O-N 3.17Å; L1377-S1381 VanDerWaalsContact O-N 3.09Å; A1378-S1381 PolarHBondContact O-N 3.4Å; A1378-S1381 PolarHBondContact O-OG 3.3Å; S1381-R1385 PolarHBondContact O-N 3.29Å; S1381-R1385 VanDerWaalsContact O-N 3.09Å
1382E88.2Confident84Confident64 Ų6443.4 Ų43.430%0.29923%0.226SC..Hα-helixtrans-80.2-32.3178.5-176.252.1-143.500111.6Q1350 A1378 T1379 E1380 R1385 R1386Q1350-E1382 PolarHBondContact NE2-OE2 2.98Å; A1378-E1382 PolarHBondContact O-N 3.4Å; T1379-E1382 PolarHBondContact O-N 3.46Å; E1380-E1382 VanDerWaalsContact C-N 3.32Å; E1380-E1382 PolarHBondContact O-N 2.99Å; E1382-R1385 IonicContact OE2-NH1 2.67Å; E1382-R1386 WeakPolarHBondContact O-CB 3.17Å; E1382-R1386 PolarHBondContact O-N 3.32Å; E1382-R1386 PolarHBondContact O-NE 3.47Å; E1382-R1386 IonicContact OE1-NE 3.41Å; E1382-R1386 PolarHBondContact OE1-NE 2.93Å
1383N89.1Confident82.7Confident37 Ų3744.7 Ų44.720%0.19823%0.231CC..Hα-helixtrans-60.9-52.8166.9-73.4-22.4000111T1379 E1380 R1385 R1386 D1387T1379-N1383 PolarHBondContact O-N 3.05Å; E1380-N1383 PolarHBondContact O-N 3.32Å; E1380-N1383 PolarHBondContact OE1-ND2 3.06Å; N1383-R1385 VanDerWaalsContact C-N 3.28Å; N1383-R1385 PolarHBondContact O-N 3.05Å; N1383-R1386 PolarHBondContact O-N 3.24Å; N1383-R1386 VanDerWaalsContact OD1-CZ 3.28Å; N1383-R1386 PolarHBondContact OD1-NH1 3.48Å; N1383-R1386 PolarHBondContact OD1-NH2 3.09Å; N1383-D1387 PolarHBondContact O-N 3.23Å
1384L88.1Confident81.1Confident1 Ų148.3 Ų48.31%0.00526%0.256CS..Hα-helixtrans-55.5-42.8178.2-18065000112.3L1329 I1349 E1380 C1388 L1424 H1427 I1431L1329-L1384 HydrophobicContact CD2-CD1 3.99Å; L1329-L1384 HydrophobicContact CD2-CD2 3.93Å; L1329-L1384 HydrophobicContact CD2-CG 4.44Å; I1349-L1384 HydrophobicContact CB-CD2 4.5Å; I1349-L1384 HydrophobicContact CD1-CD2 3.75Å; I1349-L1384 HydrophobicContact CG2-CD2 4.19Å; E1380-L1384 WeakPolarHBondContact O-CB 3.44Å; E1380-L1384 PolarHBondContact O-N 3.42Å; L1384-C1388 PolarHBondContact O-N 3.42Å; L1384-L1424 HydrophobicContact CD1-CB 4.2Å; L1384-L1424 HydrophobicContact CD1-CD2 3.96Å; L1384-H1427 HydrophobicContact CB-CB 3.93Å; L1384-H1427 HydrophobicContact CD1-CB 3.99Å; L1384-I1431 HydrophobicContact CB-CD1 4.17Å; L1384-I1431 HydrophobicContact CD2-CD1 3.67Å
1385R86.8Confident79.1Confident69 Ų6950.8 Ų50.826%0.2628%0.275SS..Hα-helixtrans-66.6-47.7178.1-178.8174.9155-117.3-32.5112.1S1381 E1382 N1383 D1387 C1388 E1389S1381-R1385 PolarHBondContact O-N 3.29Å; S1381-R1385 VanDerWaalsContact O-N 3.09Å; E1382-R1385 IonicContact OE2-NH1 2.67Å; N1383-R1385 VanDerWaalsContact C-N 3.28Å; N1383-R1385 PolarHBondContact O-N 3.05Å; R1385-D1387 VanDerWaalsContact C-N 3.26Å; R1385-D1387 PolarHBondContact O-N 3.22Å; R1385-C1388 PolarHBondContact O-N 3.18Å; R1385-E1389 HydrophobicContact CG-CG 4.29Å; R1385-E1389 IonicContact CZ-OE1 2.63Å; R1385-E1389 IonicContact CZ-OE2 3.5Å; R1385-E1389 IonicContact NE-OE1 3.77Å; R1385-E1389 PolarHBondContact NE-OE1 2.95Å; R1385-E1389 IonicContact NE-OE2 3.75Å; R1385-E1389 PolarHBondContact NE-OE2 3.37Å; R1385-E1389 IonicContact NH2-OE1 2.77Å; R1385-E1389 IonicContact NH2-OE2 2.72Å; R1385-E1389 PolarHBondContact NH2-OE2 3.03Å; R1385-E1389 WeakPolarHBondContact O-CB 3.11Å; R1385-E1389 WeakPolarHBondContact O-CG 3.39Å; R1385-E1389 PolarHBondContact O-N 3.29Å
1386R84.5Confident76.5Confident100 Ų10050.2 Ų50.238%0.37728%0.278SS..Hα-helixtrans-58.5-38.1177.5-85.5-179.4-83.6103.8-5.3112.2E1382 N1383 E1389 Q1390E1382-R1386 WeakPolarHBondContact O-CB 3.17Å; E1382-R1386 PolarHBondContact O-N 3.32Å; E1382-R1386 PolarHBondContact O-NE 3.47Å; E1382-R1386 IonicContact OE1-NE 3.41Å; E1382-R1386 PolarHBondContact OE1-NE 2.93Å; N1383-R1386 PolarHBondContact O-N 3.24Å; N1383-R1386 VanDerWaalsContact OD1-CZ 3.28Å; N1383-R1386 PolarHBondContact OD1-NH1 3.48Å; N1383-R1386 PolarHBondContact OD1-NH2 3.09Å; R1386-E1389 PolarHBondContact O-N 3.39Å; R1386-Q1390 WeakPolarHBondContact O-CB 3.42Å; R1386-Q1390 VanDerWaalsContact O-CG 3.29Å; R1386-Q1390 WeakPolarHBondContact O-CG 3.41Å; R1386-Q1390 PolarHBondContact O-N 2.77Å; R1386-Q1390 PolarHBondContact O-NE2 2.94Å
1387D82.2Confident73.7Confident35 Ų3555.2 Ų55.219%0.18730%0.296CS..Hα-helixtrans-76.6-38.3-178.8-725.4000111.8N1383 R1385 E1389 Q1390 I1391 I1423 L1424 H1427N1383-D1387 PolarHBondContact O-N 3.23Å; R1385-D1387 VanDerWaalsContact C-N 3.26Å; R1385-D1387 PolarHBondContact O-N 3.22Å; D1387-E1389 PolarHBondContact O-N 2.8Å; D1387-Q1390 PolarHBondContact O-N 2.95Å; D1387-Q1390 PolarHBondContact OD1-NE2 3.43Å; D1387-I1391 WeakPolarHBondContact O-CD1 3.39Å; D1387-I1391 VanDerWaalsContact O-CG1 3.25Å; D1387-I1391 WeakPolarHBondContact O-CG1 3.42Å; D1387-I1391 PolarHBondContact O-N 3.1Å; D1387-I1423 VanDerWaalsContact OD2-CG2 3.25Å; D1387-I1423 WeakPolarHBondContact OD2-CG2 3.5Å; D1387-L1424 HydrophobicContact CB-CD2 3.99Å; D1387-H1427 IonicContact OD2-CD2 3.3Å; D1387-H1427 IonicContact OD2-NE2 3.43Å
1388C79.9Confident70.8Confident0 Ų061.1 Ų61.10%033%0.332CS..Hα-helixtrans-59.1-44.5167.8-79.60000112.2S1342 A1343 L1384 R1385 I1391 T1392 L1424S1342-C1388 PolarHBondContact O-SG 3.32Å; S1342-C1388 VanDerWaalsContact O-SG 3.32Å; A1343-C1388 HydrophobicContact CB-CB 4.45Å; L1384-C1388 PolarHBondContact O-N 3.42Å; R1385-C1388 PolarHBondContact O-N 3.18Å; C1388-I1391 PolarHBondContact O-N 2.97Å; C1388-T1392 PolarHBondContact O-N 3.47Å; C1388-T1392 PolarHBondContact O-OG1 2.79Å; C1388-L1424 VanDerWaalsContact SG-CD2 3.57Å
1389E77.6Confident67.8Low41 Ų4165.6 Ų65.619%0.19236%0.361CS..Hα-helixtrans-68.5-34.3-179.1-70.5-178.9164.900111.4R1347 R1385 R1386 D1387 T1392 T1393R1347-E1389 IonicContact CZ-OE1 3.17Å; R1347-E1389 IonicContact NE-OE1 3.13Å; R1347-E1389 PolarHBondContact NE-OE1 3.31Å; R1347-E1389 VanDerWaalsContact NE-OE1 3.07Å; R1347-E1389 IonicContact NH2-OE1 2.69Å; R1347-E1389 PolarHBondContact NH2-OE1 2.89Å; R1385-E1389 HydrophobicContact CG-CG 4.29Å; R1385-E1389 IonicContact CZ-OE1 2.63Å; R1385-E1389 IonicContact CZ-OE2 3.5Å; R1385-E1389 IonicContact NE-OE1 3.77Å; R1385-E1389 PolarHBondContact NE-OE1 2.95Å; R1385-E1389 IonicContact NE-OE2 3.75Å; R1385-E1389 PolarHBondContact NE-OE2 3.37Å; R1385-E1389 IonicContact NH2-OE1 2.77Å; R1385-E1389 IonicContact NH2-OE2 2.72Å; R1385-E1389 PolarHBondContact NH2-OE2 3.03Å; R1385-E1389 WeakPolarHBondContact O-CB 3.11Å; R1385-E1389 WeakPolarHBondContact O-CG 3.39Å; R1385-E1389 PolarHBondContact O-N 3.29Å; R1386-E1389 PolarHBondContact O-N 3.39Å; D1387-E1389 PolarHBondContact O-N 2.8Å; E1389-T1392 WeakPolarHBondContact CA-OG1 3.3Å; E1389-T1392 PolarHBondContact O-N 3.22Å; E1389-T1392 PolarHBondContact O-OG1 2.94Å; E1389-T1393 WeakPolarHBondContact O-CG2 3.29Å; E1389-T1393 PolarHBondContact O-N 3.2Å; E1389-T1393 VanDerWaalsContact O-N 3.12Å; E1389-T1393 PolarHBondContact O-OG1 2.67Å
1390Q73Confident65Low111 Ų11168 Ų6852%0.51938%0.379SS..Hα-helixtrans-64-40.8168.7-78.4167.892.900112.9R1386 D1387 T1393 S1394R1386-Q1390 WeakPolarHBondContact O-CB 3.42Å; R1386-Q1390 VanDerWaalsContact O-CG 3.29Å; R1386-Q1390 WeakPolarHBondContact O-CG 3.41Å; R1386-Q1390 PolarHBondContact O-N 2.77Å; R1386-Q1390 PolarHBondContact O-NE2 2.94Å; D1387-Q1390 PolarHBondContact O-N 2.95Å; D1387-Q1390 PolarHBondContact OD1-NE2 3.43Å; Q1390-T1393 WeakPolarHBondContact CA-OG1 3.34Å; Q1390-T1393 PolarHBondContact O-N 3.29Å; Q1390-T1393 PolarHBondContact O-OG1 2.94Å; Q1390-T1393 VanDerWaalsContact O-OG1 3.1Å; Q1390-S1394 PolarHBondContact O-N 3.33Å; Q1390-S1394 PolarHBondContact O-OG 3.43Å; Q1390-S1394 VanDerWaalsContact O-OG 3.07Å
1391I70.3Confident61.9Low36 Ų3672.1 Ų72.119%0.18541%0.409CS..Hα-helixtrans-66.3-37.1177.2-68.9161.8000111.3D1387 C1388 S1394 S1395 E1420 L1424D1387-I1391 WeakPolarHBondContact O-CD1 3.39Å; D1387-I1391 VanDerWaalsContact O-CG1 3.25Å; D1387-I1391 WeakPolarHBondContact O-CG1 3.42Å; D1387-I1391 PolarHBondContact O-N 3.1Å; C1388-I1391 PolarHBondContact O-N 2.97Å; I1391-S1394 PolarHBondContact O-OG 2.98Å; I1391-S1395 WeakPolarHBondContact O-CB 3.48Å; I1391-S1395 PolarHBondContact O-N 3.22Å; I1391-S1395 PolarHBondContact O-OG 3.39Å; I1391-S1395 VanDerWaalsContact O-OG 3.07Å; I1391-E1420 HydrophobicContact CD1-CB 3.78Å; I1391-E1420 HydrophobicContact CG1-CB 4Å; I1391-E1420 HydrophobicContact CG1-CG 4.44Å; I1391-L1424 HydrophobicContact CD1-CD1 3.77Å; I1391-L1424 HydrophobicContact CD1-CD2 3.89Å; I1391-L1424 HydrophobicContact CD1-CG 3.83Å
1392T64.5Low59.1Low22 Ų2276.5 Ų76.514%0.13544%0.44CS..Hα-helixtrans-69.6-30.3174.153.40000114.2A1343 C1388 E1389 S1395 S1396A1343-T1392 HydrophobicContact CB-CG2 3.72Å; C1388-T1392 PolarHBondContact O-N 3.47Å; C1388-T1392 PolarHBondContact O-OG1 2.79Å; E1389-T1392 WeakPolarHBondContact CA-OG1 3.3Å; E1389-T1392 PolarHBondContact O-N 3.22Å; E1389-T1392 PolarHBondContact O-OG1 2.94Å; T1392-S1395 PolarHBondContact O-OG 2.81Å; T1392-S1395 VanDerWaalsContact O-OG 3.11Å; T1392-S1396 PolarHBondContact O-OG 2.98Å
1393T57.5Low56.1Low87 Ų8778.7 Ų78.753%0.53446%0.462SS..Hα-helixtrans-85.8-26.6-178.945.40000113.1E1389 Q1390 S1396E1389-T1393 WeakPolarHBondContact O-CG2 3.29Å; E1389-T1393 PolarHBondContact O-N 3.2Å; E1389-T1393 VanDerWaalsContact O-N 3.12Å; E1389-T1393 PolarHBondContact O-OG1 2.67Å; Q1390-T1393 WeakPolarHBondContact CA-OG1 3.34Å; Q1390-T1393 PolarHBondContact O-N 3.29Å; Q1390-T1393 PolarHBondContact O-OG1 2.94Å; Q1390-T1393 VanDerWaalsContact O-OG1 3.1Å; T1393-S1396 PolarHBondContact O-OG 3.44Å; T1393-S1396 VanDerWaalsContact O-OG 3.13Å
1394S51.4Low53.2Low83 Ų8383.1 Ų83.158%0.5850%0.496SS*.Hα-helixtrans-75.5-34.1169.759.30000112.6Q1390 I1391 S1396Q1390-S1394 PolarHBondContact O-N 3.33Å; Q1390-S1394 PolarHBondContact O-OG 3.43Å; Q1390-S1394 VanDerWaalsContact O-OG 3.07Å; I1391-S1394 PolarHBondContact O-OG 2.98Å; S1394-S1396 PolarHBondContact O-N 3.2Å
1395S45.9Very low50.3Low65 Ų6588.6 Ų88.646%0.45554%0.535SS..THydrogen-bonded Turntrans-72-6.7178.662.10000115.3I1391 T1392I1391-S1395 WeakPolarHBondContact O-CB 3.48Å; I1391-S1395 PolarHBondContact O-N 3.22Å; I1391-S1395 PolarHBondContact O-OG 3.39Å; I1391-S1395 VanDerWaalsContact O-OG 3.07Å; T1392-S1395 PolarHBondContact O-OG 2.81Å; T1392-S1395 VanDerWaalsContact O-OG 3.11Å
1396S32.1Very low47.5Very low84 Ų8493.3 Ų93.359%0.58756%0.564SS**THydrogen-bonded Turntrans-98.98-174.930.20000114.9T1392 T1393 S1394T1392-S1396 PolarHBondContact O-OG 2.98Å; T1393-S1396 PolarHBondContact O-OG 3.44Å; T1393-S1396 VanDerWaalsContact O-OG 3.13Å; S1394-S1396 PolarHBondContact O-N 3.2Å
1397F28.5Very low44.9Very low189 Ų18995.7 Ų95.783%0.82959%0.589SS**SBendtrans-110.728.2-176.8-99.8-78.3000115.9
1398T28.3Very low42.3Very low124 Ų12497.5 Ų97.576%0.76162%0.616SS**  trans-134.5116.6167530000112.9
1399S25.6Very low39.8Very low126 Ų126103 Ų10388%0.88166%0.655SS**  trans-100.6136.8158.7-51.40000108.9
1400P31.7Very low37.4Very low127 Ų127107.3 Ų107.383%0.82568%0.683SS**  trans-135.4160135.336.5-25.7000112.7
1401S25.5Very low35.2Very low107 Ų107106.7 Ų106.775%0.74869%0.691SS**  trans-96.8164.8-175.457.30000114
1402S29.7Very low33.3Very low98 Ų98114.8 Ų114.869%0.68573%0.728SS**  trans62.798.9149.353.70000120.1
1403S26.2Very low31.6Very low110 Ų110118.8 Ų118.877%0.76976%0.757SS**  54.5116.8128.1630000121.6
1404S27.6Very low30.4Very low130 Ų130118.6 Ų118.691%0.90977%0.772SS**  169.2165.499.948.80000111.6
1405S27.4Very low29.6Very low116 Ų116126 Ų12681%0.81179%0.787SS**  trans-107.9149.8-172.251.10000113.4
1406I29.2Very low29.4Very low169 Ų169128.4 Ų128.487%0.86780%0.801SS**  trans-148.5143.2154.2-102.3157.5000107.8
1407V29.1Very low30.1Very low149 Ų149128 Ų12890%0.90380%0.795SS**  trans-91.3132176.9176.40000109.5
1408G27.8Very low31.4Very low73 Ų73121.7 Ų121.775%0.75377%0.773SS**  trans-158.9120.6172.800000110.9
1409S26.5Very low32.6Very low117 Ų117120.2 Ų120.282%0.81877%0.765SS**  trans-89.4148176.8480000111.5
1410V27.4Very low34.5Very low130 Ų130118.6 Ų118.679%0.78874%0.744SS**  trans169.8137.8138.8148.40000110.8
1411S26.6Very low36.2Very low99 Ų99114.3 Ų114.369%0.69271%0.714SS**  trans43.2117.9165.964.90000120.5
1412H29.9Very low38.4Very low206 Ų206112.3 Ų112.395%0.95470%0.697SS**  trans-98.7103.5154-89.927.7000110.6
1413S29.6Very low40.7Very low106 Ų106110.5 Ų110.574%0.74168%0.679SS**PPolyproline II helixtrans-84.3139.915553.90000109.1R1415S1413-R1415 PolarHBondContact O-N 3.38Å
1414G32.1Very low43.2Very low83 Ų83105.6 Ų105.686%0.85664%0.644SS**PPolyproline II helixtrans-53.6123.3-173.300000113.7
1415R35Very low45.7Very low239 Ų239102.5 Ų102.590%0.90262%0.617SS**PPolyproline II helixtrans-83135.5176.3-151.4176.1-165.8-160.93.2108.9S1413S1413-R1415 PolarHBondContact O-N 3.38Å
1416P40.7Very low48.3Very low115 Ų115102.8 Ų102.875%0.74760%0.6SS**PPolyproline II helixtrans-65.1143.2177.726.7-34.4000111.1
1417V47.5Very low51Low75 Ų7595.7 Ų95.746%0.45556%0.563SS.*PPolyproline II helixtrans-61.4133.8176.4178.80000109.6I1421V1417-I1421 HydrophobicContact CG1-CB 3.82Å; V1417-I1421 HydrophobicContact CG1-CG2 3.69Å
1418P55.3Low53.7Low56 Ų5688.7 Ų88.736%0.36452%0.521SS..PPolyproline II helixtrans-53.6144.5176.5-27.734.2000113.4E1420 I1421 T1422P1418-E1420 VanDerWaalsContact CB-OE2 3.28Å; P1418-E1420 WeakPolarHBondContact CB-OE2 3.47Å; P1418-E1420 PolarHBondContact O-N 3.12Å; P1418-I1421 HydrophobicContact CB-CD1 4.43Å; P1418-I1421 HydrophobicContact CB-CG1 4.33Å; P1418-I1421 HydrophobicContact CG-CD1 4.12Å; P1418-I1421 PolarHBondContact O-N 3.09Å; P1418-I1421 VanDerWaalsContact O-N 3.16Å; P1418-T1422 PolarHBondContact O-N 3.39Å; P1418-T1422 PolarHBondContact O-OG1 2.68Å
1419P55Low56.4Low93 Ų9389.2 Ų89.260%0.60450%0.504SS*.Hα-helixtrans-62.3-30.7-178.426.2-34000112.4T1422 I1423P1419-T1422 WeakPolarHBondContact O-CB 3.46Å; P1419-T1422 PolarHBondContact O-N 2.98Å; P1419-I1423 PolarHBondContact O-N 2.8Å
1420E64.2Low59.4Low93 Ų9388 Ų8844%0.43549%0.485SS..Hα-helixtrans-63.1-44.4175.8-54.783-174.700111.5I1391 P1418 T1422 I1423 L1424I1391-E1420 HydrophobicContact CD1-CB 3.78Å; I1391-E1420 HydrophobicContact CG1-CB 4Å; I1391-E1420 HydrophobicContact CG1-CG 4.44Å; P1418-E1420 VanDerWaalsContact CB-OE2 3.28Å; P1418-E1420 WeakPolarHBondContact CB-OE2 3.47Å; P1418-E1420 PolarHBondContact O-N 3.12Å; E1420-T1422 VanDerWaalsContact C-N 3.28Å; E1420-T1422 PolarHBondContact O-N 3.2Å; E1420-I1423 WeakPolarHBondContact O-CB 3.37Å; E1420-I1423 PolarHBondContact O-N 3.45Å; E1420-I1423 VanDerWaalsContact O-N 3.09Å; E1420-L1424 PolarHBondContact O-N 3.08Å
1421I67.8Low62.3Low36 Ų3681.8 Ų81.819%0.18545%0.447CS..Hα-helixtrans-66.3-33.9-179.9-64.2-176.3000111.1A1333 V1417 P1418 I1423 L1424 I1425A1333-I1421 HydrophobicContact CB-CG2 3.82Å; V1417-I1421 HydrophobicContact CG1-CB 3.82Å; V1417-I1421 HydrophobicContact CG1-CG2 3.69Å; P1418-I1421 HydrophobicContact CB-CD1 4.43Å; P1418-I1421 HydrophobicContact CB-CG1 4.33Å; P1418-I1421 HydrophobicContact CG-CD1 4.12Å; P1418-I1421 PolarHBondContact O-N 3.09Å; P1418-I1421 VanDerWaalsContact O-N 3.16Å; I1421-I1423 PolarHBondContact O-N 3.19Å; I1421-L1424 PolarHBondContact O-N 3.01Å; I1421-I1425 HydrophobicContact CG2-CD1 3.93Å; I1421-I1425 HydrophobicContact CG2-CG1 4.4Å; I1421-I1425 WeakPolarHBondContact O-CG1 3.41Å; I1421-I1425 PolarHBondContact O-N 3.32Å
1422T72.5Confident65.2Low66 Ų6678 Ų7841%0.40542%0.422SS..Hα-helixtrans-62.5-27.7174.9-55.50000112.4P1418 P1419 E1420 R1426P1418-T1422 PolarHBondContact O-N 3.39Å; P1418-T1422 PolarHBondContact O-OG1 2.68Å; P1419-T1422 WeakPolarHBondContact O-CB 3.46Å; P1419-T1422 PolarHBondContact O-N 2.98Å; E1420-T1422 VanDerWaalsContact C-N 3.28Å; E1420-T1422 PolarHBondContact O-N 3.2Å; T1422-R1426 PolarHBondContact O-N 2.71Å
1423I76.2Confident67.9Low60 Ų6075.3 Ų75.331%0.30840%0.404SS..Hα-helixtrans-73-45.1174.7-61.2166.2000110.6D1387 P1419 E1420 I1421 I1425 R1426 H1427D1387-I1423 VanDerWaalsContact OD2-CG2 3.25Å; D1387-I1423 WeakPolarHBondContact OD2-CG2 3.5Å; P1419-I1423 PolarHBondContact O-N 2.8Å; E1420-I1423 WeakPolarHBondContact O-CB 3.37Å; E1420-I1423 PolarHBondContact O-N 3.45Å; E1420-I1423 VanDerWaalsContact O-N 3.09Å; I1421-I1423 PolarHBondContact O-N 3.19Å; I1423-I1425 PolarHBondContact O-N 3.36Å; I1423-R1426 WeakPolarHBondContact O-CB 3.45Å; I1423-R1426 PolarHBondContact O-N 3.48Å; I1423-R1426 VanDerWaalsContact O-N 3.12Å; I1423-H1427 PolarHBondContact O-CD2 2.91Å; I1423-H1427 VanDerWaalsContact O-CD2 3.28Å; I1423-H1427 PolarHBondContact O-N 3Å; I1423-H1427 VanDerWaalsContact O-N 3.14Å
1424L80.2Confident70.7Confident7 Ų770.6 Ų70.64%0.03737%0.371CS..Hα-helixtrans-60-44.4177.5-58.3-175.6000112.3L1384 D1387 C1388 I1391 E1420 I1421 R1426 H1427 A1428L1384-L1424 HydrophobicContact CD1-CB 4.2Å; L1384-L1424 HydrophobicContact CD1-CD2 3.96Å; D1387-L1424 HydrophobicContact CB-CD2 3.99Å; C1388-L1424 VanDerWaalsContact SG-CD2 3.57Å; I1391-L1424 HydrophobicContact CD1-CD1 3.77Å; I1391-L1424 HydrophobicContact CD1-CD2 3.89Å; I1391-L1424 HydrophobicContact CD1-CG 3.83Å; E1420-L1424 PolarHBondContact O-N 3.08Å; I1421-L1424 PolarHBondContact O-N 3.01Å; L1424-R1426 VanDerWaalsContact C-N 3.27Å; L1424-R1426 PolarHBondContact O-N 2.89Å; L1424-H1427 PolarHBondContact O-N 3.23Å; L1424-A1428 WeakPolarHBondContact O-CB 3.26Å; L1424-A1428 PolarHBondContact O-N 3.31Å
1425I78.9Confident73.3Confident64 Ų6466.6 Ų66.633%0.32833%0.33SS..Hα-helixtrans-61.7-36177-66.5169.8000111I1421 I1423 H1429I1421-I1425 HydrophobicContact CG2-CD1 3.93Å; I1421-I1425 HydrophobicContact CG2-CG1 4.4Å; I1421-I1425 WeakPolarHBondContact O-CG1 3.41Å; I1421-I1425 PolarHBondContact O-N 3.32Å; I1423-I1425 PolarHBondContact O-N 3.36Å; I1425-H1429 WeakPolarHBondContact O-CB 3.3Å; I1425-H1429 PolarHBondContact O-N 3.41Å
1426R83.4Confident75.7Confident122 Ų12262.5 Ų62.546%0.4632%0.319SS..Hα-helixtrans-64.1-50176.7-166.9-172.1-52.4106.46.1111.8T1422 I1423 L1424 H1429 Q1430T1422-R1426 PolarHBondContact O-N 2.71Å; I1423-R1426 WeakPolarHBondContact O-CB 3.45Å; I1423-R1426 PolarHBondContact O-N 3.48Å; I1423-R1426 VanDerWaalsContact O-N 3.12Å; L1424-R1426 VanDerWaalsContact C-N 3.27Å; L1424-R1426 PolarHBondContact O-N 2.89Å; R1426-H1429 PolarHBondContact O-N 2.8Å; R1426-Q1430 WeakPolarHBondContact O-CG 3.35Å; R1426-Q1430 PolarHBondContact O-N 3.08Å
1427H85.5Confident77.8Confident20 Ų2060.6 Ų60.69%0.09330%0.302CS..Hα-helixtrans-64-42.5178.5-70.4-64.2000111.5E1380 L1384 D1387 I1423 L1424 H1429 Q1430 I1431E1380-H1427 VanDerWaalsContact CD-ND1 3.32Å; E1380-H1427 IonicContact OE1-CE1 3.39Å; E1380-H1427 IonicContact OE1-ND1 3.15Å; E1380-H1427 PolarHBondContact OE1-ND1 3.14Å; E1380-H1427 IonicContact OE2-CE1 3.56Å; E1380-H1427 IonicContact OE2-CG 2.77Å; E1380-H1427 IonicContact OE2-ND1 3.82Å; E1380-H1427 PolarHBondContact OE2-ND1 3.14Å; L1384-H1427 HydrophobicContact CB-CB 3.93Å; L1384-H1427 HydrophobicContact CD1-CB 3.99Å; D1387-H1427 IonicContact OD2-CD2 3.3Å; D1387-H1427 IonicContact OD2-NE2 3.43Å; I1423-H1427 PolarHBondContact O-CD2 2.91Å; I1423-H1427 VanDerWaalsContact O-CD2 3.28Å; I1423-H1427 PolarHBondContact O-N 3Å; I1423-H1427 VanDerWaalsContact O-N 3.14Å; L1424-H1427 PolarHBondContact O-N 3.23Å; H1427-H1429 VanDerWaalsContact C-N 3.3Å; H1427-H1429 PolarHBondContact O-N 2.72Å; H1427-Q1430 PolarHBondContact O-N 3.24Å; H1427-Q1430 VanDerWaalsContact O-N 3.1Å; H1427-I1431 WeakPolarHBondContact O-CG1 3.32Å; H1427-I1431 PolarHBondContact O-N 2.85Å
1428A84.7Confident79.6Confident2 Ų257 Ų572%0.01728%0.281CS..Hα-helixtrans-57.1-41.317400000112.6I1326 L1329 L1424 I1431 A1432I1326-A1428 HydrophobicContact CG1-CB 4.49Å; I1326-A1428 HydrophobicContact CG2-CB 4.13Å; L1329-A1428 HydrophobicContact CD2-CB 4.46Å; L1424-A1428 WeakPolarHBondContact O-CB 3.26Å; L1424-A1428 PolarHBondContact O-N 3.31Å; A1428-I1431 PolarHBondContact O-N 2.79Å; A1428-A1432 WeakPolarHBondContact O-CB 3.43Å; A1428-A1432 PolarHBondContact O-N 3.44Å
1429H85.4Confident80.9Confident85 Ų8555.8 Ų55.839%0.39427%0.271SS..Hα-helixtrans-68.6-33.5175.6-179.8-101.4000113.3I1425 R1426 H1427 R1433I1425-H1429 WeakPolarHBondContact O-CB 3.3Å; I1425-H1429 PolarHBondContact O-N 3.41Å; R1426-H1429 PolarHBondContact O-N 2.8Å; H1427-H1429 VanDerWaalsContact C-N 3.3Å; H1427-H1429 PolarHBondContact O-N 2.72Å; H1429-R1433 PolarHBondContact O-N 3.04Å
1430Q88.6Confident82.1Confident90 Ų9053.4 Ų53.442%0.42126%0.256SS..Hα-helixtrans-70.3-40.9174-67.8-165.3101.900112.3E1380 R1426 H1427 A1432 R1433 A1434E1380-Q1430 HydrophobicContact CG-CB 3.92Å; E1380-Q1430 VanDerWaalsContact OE2-CB 3.25Å; E1380-Q1430 WeakPolarHBondContact OE2-CB 2.98Å; E1380-Q1430 VanDerWaalsContact OE2-CD 3.31Å; E1380-Q1430 PolarHBondContact OE2-NE2 2.76Å; R1426-Q1430 WeakPolarHBondContact O-CG 3.35Å; R1426-Q1430 PolarHBondContact O-N 3.08Å; H1427-Q1430 PolarHBondContact O-N 3.24Å; H1427-Q1430 VanDerWaalsContact O-N 3.1Å; Q1430-A1432 PolarHBondContact O-N 3.5Å; Q1430-R1433 PolarHBondContact O-N 3.42Å; Q1430-A1434 PolarHBondContact O-N 3.46Å
1431I88.8Confident82.8Confident0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-59.4-46.7172.4-62.8168000110.1I1322 I1326 I1349 V1353 L1377 E1380 L1384 H1427 A1428 R1433 A1434 A1435I1322-I1431 HydrophobicContact CG2-CG2 3.67Å; I1326-I1431 HydrophobicContact CD1-CB 4.15Å; I1326-I1431 HydrophobicContact CD1-CG2 3.89Å; I1349-I1431 HydrophobicContact CG2-CD1 3.98Å; I1349-I1431 HydrophobicContact CG2-CG2 4.44Å; V1353-I1431 HydrophobicContact CG2-CG2 4.17Å; L1377-I1431 HydrophobicContact CD1-CB 4.49Å; L1377-I1431 HydrophobicContact CD1-CG2 3.68Å; L1377-I1431 WeakPolarHBondContact CD1-O 3.5Å; E1380-I1431 HydrophobicContact CB-CG1 3.68Å; L1384-I1431 HydrophobicContact CB-CD1 4.17Å; L1384-I1431 HydrophobicContact CD2-CD1 3.67Å; H1427-I1431 WeakPolarHBondContact O-CG1 3.32Å; H1427-I1431 PolarHBondContact O-N 2.85Å; A1428-I1431 PolarHBondContact O-N 2.79Å; I1431-R1433 VanDerWaalsContact C-N 3.31Å; I1431-R1433 PolarHBondContact O-N 2.95Å; I1431-A1434 PolarHBondContact O-N 3.05Å; I1431-A1435 WeakPolarHBondContact O-CB 3.4Å; I1431-A1435 PolarHBondContact O-N 3.32Å
1432A87.3Confident83.2Confident20 Ų2050 Ų5017%0.16524%0.24CC..Hα-helixtrans-60.5-38.3176.900000112.7I1326 A1428 Q1430 K1436I1326-A1432 HydrophobicContact CD1-CB 4.08Å; A1428-A1432 WeakPolarHBondContact O-CB 3.43Å; A1428-A1432 PolarHBondContact O-N 3.44Å; Q1430-A1432 PolarHBondContact O-N 3.5Å; A1432-K1436 WeakPolarHBondContact O-CB 3.32Å; A1432-K1436 PolarHBondContact O-N 2.96Å
1433R87.4Confident82.9Confident150 Ų15053.5 Ų53.557%0.56625%0.252SS*.Hα-helixtrans-65.3-53.3174.7-179.6172.7-67.4-168.9-2.8111.7H1429 Q1430 I1431 A1435 K1436 D1437H1429-R1433 PolarHBondContact O-N 3.04Å; Q1430-R1433 PolarHBondContact O-N 3.42Å; I1431-R1433 VanDerWaalsContact C-N 3.31Å; I1431-R1433 PolarHBondContact O-N 2.95Å; R1433-A1435 VanDerWaalsContact C-N 3.27Å; R1433-A1435 PolarHBondContact O-N 3.46Å; R1433-K1436 WeakPolarHBondContact O-CB 3.43Å; R1433-K1436 PolarHBondContact O-N 3.23Å; R1433-D1437 WeakPolarHBondContact CG-OD2 3.1Å; R1433-D1437 VanDerWaalsContact O-CG 3.24Å; R1433-D1437 PolarHBondContact O-N 3.15Å
1434A87.6Confident81.9Confident6 Ų660 Ų605%0.0527%0.273CS..Hα-helixtrans-58.9-38.3-179.800000112.6N1376 L1377 Q1430 I1431 D1437 L1438N1376-A1434 HydrophobicContact CB-CB 4.22Å; L1377-A1434 HydrophobicContact CB-CB 4.13Å; L1377-A1434 HydrophobicContact CD1-CB 4.08Å; Q1430-A1434 PolarHBondContact O-N 3.46Å; I1431-A1434 PolarHBondContact O-N 3.05Å; A1434-D1437 PolarHBondContact O-N 3.2Å; A1434-L1438 PolarHBondContact O-N 3.44Å; A1434-L1438 VanDerWaalsContact O-N 3.08Å
1435A87.8Confident80.6Confident0 Ų063.5 Ų63.50%030%0.298CS..Hα-helixtrans-66.6-38.9174.600000112.8V1319 L1377 I1431 R1433 L1439V1319-A1435 HydrophobicContact CG1-CB 3.95Å; V1319-A1435 HydrophobicContact CG2-CB 4.17Å; L1377-A1435 HydrophobicContact CD1-CB 4.01Å; I1431-A1435 WeakPolarHBondContact O-CB 3.4Å; I1431-A1435 PolarHBondContact O-N 3.32Å; R1433-A1435 VanDerWaalsContact C-N 3.27Å; R1433-A1435 PolarHBondContact O-N 3.46Å; A1435-L1439 WeakPolarHBondContact O-CB 3.42Å; A1435-L1439 PolarHBondContact O-N 3.48Å; A1435-L1439 VanDerWaalsContact O-N 3.11Å
1436K84.8Confident78.6Confident152 Ų15265.9 Ų65.966%0.66131%0.312SS*.Hα-helixtrans-68.5-39174.1-177173.7-178.9172.50112.3A1432 R1433 L1439 S1440A1432-K1436 WeakPolarHBondContact O-CB 3.32Å; A1432-K1436 PolarHBondContact O-N 2.96Å; R1433-K1436 WeakPolarHBondContact O-CB 3.43Å; R1433-K1436 PolarHBondContact O-N 3.23Å; K1436-L1439 PolarHBondContact O-N 3.48Å; K1436-S1440 PolarHBondContact O-N 3.34Å
1437D84.6Confident76.2Confident75 Ų7569.7 Ų69.740%0.40135%0.352SS..Hα-helixtrans-64-45.8178.4-65.6-24.5000110.2R1433 A1434 L1439 S1440 L1441R1433-D1437 WeakPolarHBondContact CG-OD2 3.1Å; R1433-D1437 VanDerWaalsContact O-CG 3.24Å; R1433-D1437 PolarHBondContact O-N 3.15Å; A1434-D1437 PolarHBondContact O-N 3.2Å; D1437-L1439 PolarHBondContact O-N 3.48Å; D1437-S1440 PolarHBondContact O-N 2.79Å; D1437-S1440 PolarHBondContact O-OG 2.8Å; D1437-L1441 WeakPolarHBondContact O-CG 3.36Å; D1437-L1441 PolarHBondContact O-N 3.46Å; D1437-L1441 VanDerWaalsContact O-N 3.16Å
1438L84.5Confident75.7Confident0 Ų072.2 Ų72.20%037%0.365CS..Hα-helixtrans-53.9-50.4169.7-78.3167.2000112.1L1356 V1370 A1373 L1374 L1377 A1434 S1440 L1441 F1442L1356-L1438 HydrophobicContact CD2-CD1 4.28Å; V1370-L1438 HydrophobicContact CG1-CD2 4.07Å; A1373-L1438 HydrophobicContact CB-CD1 4.41Å; A1373-L1438 HydrophobicContact CB-CD2 3.82Å; A1373-L1438 HydrophobicContact CB-CG 3.67Å; L1374-L1438 HydrophobicContact CD2-CD1 3.73Å; L1374-L1438 HydrophobicContact CD2-CD2 4.12Å; L1374-L1438 HydrophobicContact CG-CD1 4.37Å; L1374-L1438 HydrophobicContact CG-CD2 4.09Å; L1377-L1438 HydrophobicContact CD2-CD1 4.39Å; A1434-L1438 PolarHBondContact O-N 3.44Å; A1434-L1438 VanDerWaalsContact O-N 3.08Å; L1438-S1440 PolarHBondContact O-N 3.49Å; L1438-L1441 WeakPolarHBondContact O-CB 3.07Å; L1438-L1441 PolarHBondContact O-N 3.49Å; L1438-L1441 VanDerWaalsContact O-N 3.07Å; L1438-F1442 WeakPolarHBondContact O-CD2 3.38Å; L1438-F1442 PolarHBondContact O-N 3.41Å; L1438-F1442 VanDerWaalsContact O-N 3.17Å
1439L82.8Confident75.2Confident31 Ų3175.9 Ų75.916%0.16238%0.383CS..Hα-helixtrans-62.2-33-178.5-161.3148.3000111.7V1316 V1319 A1435 K1436 D1437 Q1443V1316-L1439 HydrophobicContact CB-CD1 4.44Å; V1316-L1439 HydrophobicContact CG2-CD1 3.98Å; V1316-L1439 HydrophobicContact CG2-CG 4.17Å; V1319-L1439 HydrophobicContact CB-CD1 3.84Å; V1319-L1439 HydrophobicContact CG1-CD1 3.63Å; V1319-L1439 HydrophobicContact CG2-CD1 4.25Å; A1435-L1439 WeakPolarHBondContact O-CB 3.42Å; A1435-L1439 PolarHBondContact O-N 3.48Å; A1435-L1439 VanDerWaalsContact O-N 3.11Å; K1436-L1439 PolarHBondContact O-N 3.48Å; D1437-L1439 PolarHBondContact O-N 3.48Å; L1439-Q1443 VanDerWaalsContact CD2-CD 3.49Å; L1439-Q1443 HydrophobicContact CD2-CG 4.01Å; L1439-Q1443 WeakPolarHBondContact O-CB 3.36Å; L1439-Q1443 WeakPolarHBondContact O-CG 3.35Å; L1439-Q1443 PolarHBondContact O-N 3.25Å
1440S80.1Confident74.7Confident42 Ų4275.4 Ų75.429%0.29438%0.383SS..Hα-helixtrans-70.6-27.9174.683.60000114.4K1436 D1437 L1438 R1444K1436-S1440 PolarHBondContact O-N 3.34Å; D1437-S1440 PolarHBondContact O-N 2.79Å; D1437-S1440 PolarHBondContact O-OG 2.8Å; L1438-S1440 PolarHBondContact O-N 3.49Å; S1440-R1444 WeakPolarHBondContact O-CG 3.19Å; S1440-R1444 PolarHBondContact O-N 3.37Å
1441L79Confident73.9Confident43 Ų4374.5 Ų74.523%0.22538%0.381CS..Hα-helixtrans-72-45.7173.6-65.5168.4000110.3E1369 V1370 D1437 L1438 R1444 S1445E1369-L1441 HydrophobicContact CB-CD1 3.79Å; E1369-L1441 HydrophobicContact CB-CD2 4.05Å; V1370-L1441 HydrophobicContact CG2-CD1 3.84Å; D1437-L1441 WeakPolarHBondContact O-CG 3.36Å; D1437-L1441 PolarHBondContact O-N 3.46Å; D1437-L1441 VanDerWaalsContact O-N 3.16Å; L1438-L1441 WeakPolarHBondContact O-CB 3.07Å; L1438-L1441 PolarHBondContact O-N 3.49Å; L1438-L1441 VanDerWaalsContact O-N 3.07Å; L1441-R1444 PolarHBondContact O-N 2.59Å; L1441-S1445 PolarHBondContact O-OG 3.35Å
1442F76.1Confident72.9Confident14 Ų1479.2 Ų79.26%0.06140%0.404CS..Hα-helixtrans-65.7-40.1176.1-81.6-90.7000112.7W1307 A1309 P1310 V1315 F1360 L1438 R1444 S1445W1307-F1442 HydrophobicContact CH2-CE2 4.42Å; W1307-F1442 AromaticContact CH2-CZ 3.86Å; W1307-F1442 HydrophobicContact CH2-CZ 3.86Å; W1307-F1442 HydrophobicContact CZ2-CZ 4.19Å; A1309-F1442 HydrophobicContact CB-CE1 4.11Å; A1309-F1442 HydrophobicContact CB-CZ 4.49Å; P1310-F1442 HydrophobicContact CG-CE1 4.13Å; P1310-F1442 HydrophobicContact CG-CZ 3.9Å; P1310-F1442 VanDerWaalsContact O-CE1 3.26Å; P1310-F1442 WeakPolarHBondContact O-CE1 3.36Å; V1315-F1442 HydrophobicContact CG1-CD2 4.1Å; V1315-F1442 HydrophobicContact CG1-CG 4.37Å; V1315-F1442 HydrophobicContact CG2-CD1 4.27Å; V1315-F1442 HydrophobicContact CG2-CD2 4.4Å; V1315-F1442 HydrophobicContact CG2-CE1 4.13Å; V1315-F1442 HydrophobicContact CG2-CE2 4.27Å; V1315-F1442 HydrophobicContact CG2-CG 4.41Å; V1315-F1442 HydrophobicContact CG2-CZ 4.15Å; F1360-F1442 AromaticContact CE1-CE2 3.9Å; F1360-F1442 HydrophobicContact CE1-CE2 3.9Å; F1360-F1442 AromaticContact CE1-CZ 3.77Å; F1360-F1442 HydrophobicContact CE1-CZ 3.77Å; F1360-F1442 AromaticContact CZ-CE2 3.88Å; F1360-F1442 HydrophobicContact CZ-CE2 3.88Å; F1360-F1442 HydrophobicContact CZ-CZ 4.01Å; L1438-F1442 WeakPolarHBondContact O-CD2 3.38Å; L1438-F1442 PolarHBondContact O-N 3.41Å; L1438-F1442 VanDerWaalsContact O-N 3.17Å; F1442-R1444 PolarHBondContact O-N 3.06Å; F1442-R1444 VanDerWaalsContact O-N 3.14Å; F1442-S1445 WeakPolarHBondContact O-CB 3.39Å; F1442-S1445 PolarHBondContact O-N 2.64Å
1443Q67.1Low72Confident140 Ų14083.1 Ų83.165%0.65442%0.42SS*.THydrogen-bonded Turntrans-65.5-11.7174.1-77.4-176.1-1900114.8L1439L1439-Q1443 VanDerWaalsContact CD2-CD 3.49Å; L1439-Q1443 HydrophobicContact CD2-CG 4.01Å; L1439-Q1443 WeakPolarHBondContact O-CB 3.36Å; L1439-Q1443 WeakPolarHBondContact O-CG 3.35Å; L1439-Q1443 PolarHBondContact O-N 3.25Å
1444R56.1Low70.9Confident197 Ų19778.4 Ų78.474%0.74341%0.41SS*.THydrogen-bonded Turntrans-96.30.8172.6-74.2174.8175177.21.2113.7S1440 L1441 F1442S1440-R1444 WeakPolarHBondContact O-CG 3.19Å; S1440-R1444 PolarHBondContact O-N 3.37Å; L1441-R1444 PolarHBondContact O-N 2.59Å; F1442-R1444 PolarHBondContact O-N 3.06Å; F1442-R1444 VanDerWaalsContact O-N 3.14Å
1445S51.4Low69.6Low81 Ų8183.9 Ų83.957%0.56644%0.438SS*.SBendtrans-101.3-9.8-170.9-59.30000114.5L1441 F1442L1441-S1445 PolarHBondContact O-OG 3.35Å; F1442-S1445 WeakPolarHBondContact O-CB 3.39Å; F1442-S1445 PolarHBondContact O-N 2.64Å
1446D36.9Very low68.1Low114 Ų11490.9 Ų90.961%0.6147%0.474SS*.  trans-90.7127.4174.1-67.5-46.6000110.7
1447P33.3Very low66.5Low202 Ų20285.4 Ų85.4100%1.31246%0.457SS*.  trans-82.70179.133.9-35.6000114.7

Retrieved 1,447 of 1,447 residues in 327.6 ms (Link to these results)

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